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605
: Util/COOP/Tests/bi2se3_3ql/spin_texture.dat.reference
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- Committer: Alberto Garcia
- Date: 2019-09-02 14:09:43 UTC
- mfrom: (427.6.323 trunk)
- Revision ID: albertog@icmab.es-20190902140943-mzmbe1jacgefpgxw
Sync to trunk-776 (notably nc/soc wavefunction support)
- files added:
- Src/bloch_unfold.F90
- Tests/bi2se3_3ql
- Util/COOP/Tests/bi2se3_3ql
- Util/COOP/Tests/ge_fatbands_so
- Util/STM/ol-stm/Examples/Benzene
- Util/STM/ol-stm/Examples/ML-Cr
- files removed:
- README_TRANSIESTA
- files renamed:
- Util/STM/simple-stm/plstm.f => Util/STM/simple-stm/plstm.f90
- Util/WFS/readwfx.f => Util/WFS/readwfx.f90
- files modified:
- Docs/Contributors.txt
added
removed
Util/COOP/Tests/bi2se3_3ql/spin_texture.dat.reference
1
bi2se3_3ql.HSX nnao, no_s, nspin, nh: 195 9555 8 87837
2
# Min_energy, max_energy considered: -51.7260 53.9664
3
4
k-point 1 ( 0.004821 0.000000 0.000000 ) (Bohr^-1)
5
ie e(eV) Sx Sy Sz
6
1 -51.72595 -0.1932 -0.4037 0.0174
7
2 -51.72595 0.1932 0.4036 -0.0174
8
3 -51.67055 -0.0217 0.4169 -0.0181
9
4 -51.67053 0.0200 -0.4166 0.0186
10
5 -51.66991 -0.0042 -0.4292 -0.0066
11
6 -51.66986 0.0045 0.4296 0.0066
12
7 -51.66902 0.2339 -0.0793 -0.0901
13
8 -51.66893 -0.2432 0.0829 0.1022
14
9 -51.66712 -0.0269 0.0178 -0.1833
15
10 -51.66703 0.0379 -0.0207 0.1719
16
11 -51.66347 0.0394 0.3738 -0.0044
17
12 -51.66336 -0.0396 -0.3734 0.0034
18
13 -51.65083 -0.0193 0.0400 -0.3371
19
14 -51.65081 0.0193 -0.0434 0.3367
20
15 -51.62123 0.0187 -0.0170 0.3396
21
16 -51.62122 -0.0187 0.0189 -0.3394
22
17 -51.61745 0.1686 0.4239 0.0467
23
18 -51.61732 -0.1705 -0.4274 -0.0451
24
19 -51.61430 -0.1607 0.2151 -0.0571
25
20 -51.61414 0.1631 -0.2165 0.0549
26
21 -51.61141 -0.2858 -0.2398 0.0652
27
22 -51.61138 0.2870 0.2353 -0.0662
28
23 -51.60396 0.0126 -0.0064 0.1346
29
24 -51.60393 -0.0138 0.0116 -0.1336
30
25 -51.60082 0.0171 -0.0119 0.2341
31
26 -51.60079 -0.0177 0.0175 -0.2335
32
27 -51.58233 -0.0213 0.0340 -0.0864
33
28 -51.58232 0.0214 -0.0355 0.0864
34
29 -51.26112 -0.1576 0.2414 0.0366
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30 -51.26103 0.1593 -0.2522 -0.0397
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31 -51.25335 0.0263 -0.0830 0.2997
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32 -51.25328 -0.0280 0.0937 -0.2965
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33 -51.25217 0.0273 -0.4152 -0.0180
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34 -51.25209 -0.0275 0.4189 0.0182
40
35 -51.22184 -0.0203 0.0184 -0.3296
41
36 -51.22182 0.0205 -0.0220 0.3294
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37 -50.84149 0.1497 0.6173 0.0029
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38 -50.84149 -0.1497 -0.6173 -0.0029
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39 -50.80217 -0.0673 0.0788 0.1289
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40 -50.80215 0.0673 -0.0777 -0.1290
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41 -50.78402 -0.2050 -0.5966 -0.0208
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42 -50.78392 0.2116 0.5889 0.0273
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43 -50.78355 0.2014 0.6029 0.0185
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47 -50.77953 -0.1333 -0.1746 -0.1306
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48 -50.77946 0.1397 0.1790 0.1299
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49 -50.76953 -0.3689 0.4654 0.0752
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50 -50.76938 0.3603 -0.4847 -0.0714
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51 -50.76472 0.1679 -0.0552 -0.2259
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52 -50.76464 -0.1668 0.0660 0.2226
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53 -50.75069 0.2381 -0.3675 -0.0230
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54 -50.75055 -0.2435 0.3604 0.0192
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55 -50.74878 -0.0222 0.0107 0.4767
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56 -50.74876 0.0111 -0.0044 -0.4836
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57 -50.74856 -0.0650 0.0631 -0.1244
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58 -50.74850 0.0881 -0.0678 0.1310
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59 -50.74818 -0.0916 0.1079 0.0365
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60 -50.74813 0.0864 -0.0930 -0.0331
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61 -50.73809 -0.0502 -0.0981 -0.2074
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62 -50.73807 0.0497 0.0961 0.2070
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63 -50.73671 -0.0486 -0.2353 -0.0956
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64 -50.73668 0.0494 0.2351 0.0972
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65 -50.71703 0.1585 -0.1593 0.3111
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66 -50.71698 -0.1608 0.1573 -0.3143
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67 -50.71107 -0.1891 0.4505 -0.1155
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68 -50.71102 0.1911 -0.4461 0.1174
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69 -50.70752 0.0007 0.0870 0.1965
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70 -50.70748 -0.0008 -0.0898 -0.1963
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71 -50.69744 -0.0398 -0.0961 -0.3542
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73 -50.69360 0.0107 0.1140 0.1498
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74 -50.69353 -0.0111 -0.1192 -0.1493
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75 -50.69156 0.0827 -0.5261 0.1661
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76 -50.69153 -0.0834 0.5238 -0.1675
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77 -50.67065 -0.0168 -0.0915 -0.2225
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78 -50.67063 0.0169 0.0924 0.2224
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80 -50.37967 0.0674 0.5987 0.0089
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81 -50.36794 0.0209 0.1380 -0.0247
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82 -50.36781 -0.0219 -0.1310 0.0252
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83 -50.36314 0.1129 0.6317 0.0351
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84 -50.36304 -0.1139 -0.6339 -0.0357
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85 -50.34545 0.1737 -0.1383 0.0265
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86 -50.34532 -0.1735 0.1306 -0.0253
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87 -50.34024 0.0888 0.2037 -0.0692
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88 -50.34013 -0.0884 -0.2127 0.0687
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89 -50.32249 0.0098 -0.2195 -0.0877
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90 -50.32236 -0.0090 0.2293 0.0871
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91 -29.08020 -0.0001 0.0016 0.1180
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92 -29.08020 0.0001 -0.0015 -0.1180
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93 -29.07569 0.0002 -0.0026 -0.0606
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94 -29.07569 -0.0002 0.0008 0.0606
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95 -29.07495 -0.0002 0.0026 0.0124
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96 -29.07495 0.0002 -0.0007 -0.0124
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97 -29.06417 0.0012 -0.0004 0.0592
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99 -29.05159 -0.0020 -0.4034 -0.0002
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100 -29.05159 0.0020 0.4035 0.0002
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101 -29.04910 0.0016 0.4022 -0.0001
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102 -29.04909 -0.0016 -0.4022 0.0001
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103 -29.04705 0.0085 0.4011 -0.0015
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104 -29.04705 -0.0085 -0.4011 0.0015
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105 -29.03333 -0.0037 -0.3996 0.0001
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106 -29.03333 0.0037 0.3996 -0.0001
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107 -29.02457 -0.0001 0.0069 0.1399
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108 -29.02457 0.0001 0.0021 -0.1399
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109 -29.02455 0.0001 -0.0065 -0.1394
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110 -29.02455 -0.0001 -0.0026 0.1394
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111 -29.00455 -0.0044 -0.3951 0.0000
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112 -29.00454 0.0044 0.3951 -0.0000
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113 -29.00425 0.0043 0.4062 -0.0001
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114 -29.00423 -0.0043 -0.4062 0.0001
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115 -26.15001 0.0090 0.1107 0.0124
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116 -26.15001 -0.0090 -0.1107 -0.0124
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117 -26.13654 -0.0249 0.1097 -0.0902
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118 -26.13654 0.0250 -0.1091 0.0902
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119 -26.13444 0.0153 -0.1088 0.0468
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120 -26.13444 -0.0153 0.1081 -0.0468
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121 -26.10100 -0.0470 -0.0031 -0.0785
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122 -26.10100 0.0470 0.0035 0.0785
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123 -26.08895 -0.0201 -0.0151 0.2431
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124 -26.08895 0.0201 0.0146 -0.2431
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125 -26.08453 0.0027 -0.0199 -0.3118
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126 -26.08453 -0.0027 0.0191 0.3119
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127 -26.08420 -0.0057 0.0271 0.4751
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128 -26.08420 0.0056 -0.0249 -0.4753
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129 -26.08232 0.1736 -0.0710 -0.0683
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130 -26.08232 -0.1735 0.0694 0.0685
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131 -26.07528 0.0201 0.4188 -0.0070
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132 -26.07528 -0.0201 -0.4192 0.0070
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133 -26.07090 -0.0348 -0.4054 0.0115
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138 -26.06363 0.0086 0.1247 0.1867
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141 -26.04947 0.0180 0.5583 0.0005
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145 -26.03372 0.0075 -0.0162 -0.2949
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146 -26.03372 -0.0072 0.0116 0.2949
152
147 -26.02148 -0.0289 -0.5053 -0.0016
153
148 -26.02148 0.0289 0.5054 0.0016
154
149 -26.02091 0.0275 0.5484 0.0013
155
150 -26.02090 -0.0274 -0.5484 -0.0013
156
151 -18.92799 -0.0042 -0.9983 -0.0573
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152 -18.92799 0.0042 0.9983 0.0573
158
153 -18.85206 -0.0001 -1.0000 -0.0035
159
154 -18.85206 0.0001 1.0000 0.0035
160
155 -18.83205 -0.0001 1.0000 0.0003
161
156 -18.83205 0.0001 -1.0000 -0.0003
162
157 -18.27504 -0.0004 -0.9999 0.0002
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158 -18.27504 0.0004 0.9999 -0.0002
164
159 -18.05890 -0.0000 -0.9999 -0.0001
165
160 -18.05890 0.0000 0.9999 0.0001
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161 -17.86099 0.0002 -0.9999 -0.0007
167
162 -17.86099 -0.0002 0.9999 0.0007
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163 -17.44162 -0.0001 -0.9998 -0.0001
169
164 -17.44162 0.0001 0.9998 0.0001
170
165 -17.19000 0.0002 -0.9998 -0.0005
171
166 -17.19000 -0.0002 0.9998 0.0005
172
167 -17.07076 -0.0004 -0.9998 -0.0004
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168 -17.07076 0.0004 0.9998 0.0004
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169 -14.82705 -0.0008 -0.9999 0.0003
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170 -14.82705 0.0008 0.9999 -0.0003
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171 -14.58359 0.0050 0.9998 0.0007
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172 -14.58359 -0.0050 -0.9998 -0.0007
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173 -14.39232 0.0003 0.9998 -0.0003
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174 -14.39232 -0.0003 -0.9998 0.0003
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175 -13.40698 0.0036 -1.0000 0.0011
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176 -13.40698 -0.0036 1.0000 -0.0011
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177 -13.20775 -0.0030 1.0000 -0.0012
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178 -13.20775 0.0030 -1.0000 0.0012
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179 -13.09397 0.0004 1.0000 -0.0012
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180 -13.09397 -0.0004 -1.0000 0.0012
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181 -7.66516 0.1966 -0.8577 -0.0738
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182 -7.66516 -0.1966 0.8577 0.0738
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183 -7.45082 0.0326 -0.8204 0.0039
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184 -7.45082 -0.0326 0.8204 -0.0039
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185 -7.25768 -0.0001 -0.6140 -0.0012
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186 -7.25767 0.0001 0.6140 0.0012
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187 -6.88535 -0.0278 -0.5093 -0.0023
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188 -6.88535 0.0278 0.5093 0.0023
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197 -6.45454 -0.0012 -0.0230 -0.2132
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297 9.82357 0.0005 0.0174 0.0807
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313 12.89873 -0.0014 0.0496 0.0250
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314 12.89875 0.0014 -0.0405 -0.0246
320
315 13.11163 0.0216 0.0187 -1.0185
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316 13.11163 -0.0216 -0.0223 1.0182
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317 13.46324 0.0004 0.0204 -0.0087
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318 13.46324 -0.0004 -0.0199 0.0087
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319 14.20759 -0.0029 0.0303 0.0946
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320 14.20759 0.0029 -0.0300 -0.0947
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321 14.71849 -0.0001 -0.0141 0.3636
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322 14.71849 0.0001 0.0155 -0.3636
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323 14.81629 -0.0015 -0.1156 -0.0171
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324 14.81633 0.0015 0.1137 0.0171
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325 14.96787 0.0045 0.1895 -0.0731
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326 14.96792 -0.0045 -0.1877 0.0733
332
327 15.05360 -0.0180 -0.5800 0.0747
333
328 15.05362 0.0180 0.5845 -0.0746
334
329 15.19598 -0.0387 -0.3323 -0.6567
335
330 15.19601 0.0392 0.3196 0.6562
336
331 15.19863 0.0035 0.0030 0.6810
337
332 15.19867 -0.0040 0.0111 -0.6807
338
333 15.31947 0.0000 0.0242 -0.0707
339
334 15.31948 -0.0000 -0.0254 0.0707
340
335 15.82480 0.0008 -0.0040 0.0186
341
336 15.82480 -0.0008 0.0040 -0.0187
342
337 16.24874 0.0052 0.9867 0.0015
343
338 16.24875 -0.0052 -0.9913 -0.0015
344
339 16.62884 -0.0010 0.6678 0.0101
345
340 16.62884 0.0010 -0.6726 -0.0102
346
341 17.18374 0.0015 -0.3393 -0.0152
347
342 17.18375 -0.0015 0.3411 0.0152
348
343 17.55407 -0.0034 0.0028 0.8190
349
344 17.55407 0.0034 0.0010 -0.8190
350
345 17.75057 0.0451 -1.1880 0.0439
351
346 17.75057 -0.0451 1.1832 -0.0439
352
347 18.23478 -0.0014 -0.2050 -0.1240
353
348 18.23479 0.0014 0.2052 0.1240
354
349 18.53850 -0.0020 0.0032 0.7766
355
350 18.53850 0.0020 -0.0020 -0.7764
356
351 18.76555 0.0020 -0.0009 -0.9375
357
352 18.76555 -0.0020 0.0010 0.9372
358
353 19.21119 0.0025 -0.0181 -0.1611
359
354 19.21119 -0.0025 -0.0157 0.1609
360
355 19.24866 -0.0060 -0.0276 0.1922
361
356 19.24866 0.0060 0.0638 -0.1920
362
357 19.44127 0.0025 0.0223 -0.0661
363
358 19.44127 -0.0025 -0.0224 0.0662
364
359 19.75416 -0.0023 0.0003 1.2574
365
360 19.75416 0.0023 -0.0009 -1.2575
366
361 20.20255 0.0002 0.0002 -0.6041
367
362 20.20255 -0.0002 -0.0007 0.6041
368
363 20.51024 0.0021 0.0217 -0.3002
369
364 20.51024 -0.0021 -0.0221 0.3002
370
365 21.07648 0.0009 0.0090 0.8024
371
366 21.07648 -0.0009 -0.0093 -0.8024
372
367 21.26308 0.0073 -0.7802 -0.0232
373
368 21.26309 -0.0073 0.7792 0.0231
374
369 21.33945 -0.0010 0.7426 0.0124
375
370 21.33946 0.0010 -0.7413 -0.0124
376
371 21.78861 -0.0007 0.7870 0.0002
377
372 21.78861 0.0007 -0.7867 -0.0002
378
373 25.90995 0.0006 -1.2273 0.0083
379
374 25.90995 -0.0006 1.2270 -0.0083
380
375 27.95818 -0.0058 1.1621 -0.0000
381
376 27.95818 0.0058 -1.1617 0.0000
382
377 31.13796 -0.0005 -1.1603 -0.0016
383
378 31.13796 0.0005 1.1607 0.0016
384
379 39.40581 -0.0001 0.6982 -0.0001
385
380 39.40581 0.0001 -0.6978 0.0001
386
381 42.22538 0.0039 -0.8475 0.0069
387
382 42.22538 -0.0039 0.8476 -0.0069
388
383 46.54510 -0.0004 0.9003 0.0011
389
384 46.54510 0.0004 -0.9005 -0.0011
390
385 50.27645 0.0001 -0.8711 -0.0072
391
386 50.27645 -0.0001 0.8712 0.0072
392
387 52.16722 0.0010 -0.8141 -0.0049
393
388 52.16722 -0.0010 0.8141 0.0049
394
389 53.96639 0.0000 -0.7811 -0.0267
395
390 53.96639 -0.0000 0.7812 0.0267
396
397
k-point 2 ( 0.004748 0.000837 0.000000 ) (Bohr^-1)
398
ie e(eV) Sx Sy Sz
399
1 -51.72595 -0.1775 -0.4066 0.0250
400
2 -51.72595 0.1775 0.4065 -0.0250
401
3 -51.67055 -0.0931 0.3919 -0.0222
402
4 -51.67053 0.0910 -0.3914 0.0228
403
5 -51.66991 0.0684 -0.4155 -0.0083
404
6 -51.66986 -0.0681 0.4158 0.0083
405
7 -51.66903 0.2259 -0.0926 -0.0882
406
8 -51.66891 -0.2376 0.0977 0.1036
407
9 -51.66712 -0.0320 0.0204 -0.2187
408
10 -51.66702 0.0456 -0.0252 0.2042
409
11 -51.66347 -0.0184 0.3655 -0.0053
410
12 -51.66336 0.0181 -0.3650 0.0042
411
13 -51.65083 -0.0274 0.0382 -0.3839
412
14 -51.65081 0.0280 -0.0415 0.3834
413
15 -51.62123 0.0223 -0.0173 0.3681
414
16 -51.62122 -0.0226 0.0192 -0.3679
415
17 -51.61745 0.1240 0.3811 0.0588
416
18 -51.61732 -0.1256 -0.3841 -0.0568
417
19 -51.61430 -0.2235 0.2351 -0.0719
418
20 -51.61414 0.2266 -0.2369 0.0691
419
21 -51.61141 -0.2968 -0.1863 0.0833
420
22 -51.61138 0.2990 0.1817 -0.0846
421
23 -51.60396 0.0163 -0.0087 0.1808
422
24 -51.60393 -0.0186 0.0140 -0.1795
423
25 -51.60082 0.0213 -0.0138 0.2807
424
26 -51.60079 -0.0230 0.0195 -0.2800
425
27 -51.58233 -0.0306 0.0359 -0.1036
426
28 -51.58232 0.0310 -0.0374 0.1036
427
29 -51.26113 -0.1802 0.2083 0.0367
428
30 -51.26102 0.1842 -0.2193 -0.0408
429
31 -51.25336 0.0426 -0.0799 0.3563
430
32 -51.25328 -0.0465 0.0907 -0.3523
431
33 -51.25218 0.0980 -0.3879 -0.0218
432
34 -51.25209 -0.0988 0.3916 0.0221
433
35 -51.22184 -0.0244 0.0190 -0.3658
434
36 -51.22182 0.0252 -0.0225 0.3655
435
37 -50.84149 0.0738 0.6123 0.0042
436
38 -50.84149 -0.0738 -0.6123 -0.0042
437
39 -50.80217 -0.0930 0.0890 0.1653
438
40 -50.80215 0.0929 -0.0879 -0.1655
439
41 -50.78402 -0.1508 -0.5952 -0.0295
440
42 -50.78392 0.1602 0.5865 0.0380
441
43 -50.78355 0.1437 0.5988 0.0261
442
44 -50.78345 -0.1665 -0.5910 -0.0473
443
45 -50.78294 -0.0437 -0.0251 0.3418
444
46 -50.78292 0.0575 0.0234 -0.3280
445
47 -50.77954 -0.1114 -0.1301 -0.1469
446
48 -50.77945 0.1182 0.1334 0.1461
447
49 -50.76954 -0.4639 0.4665 0.0870
448
50 -50.76937 0.4571 -0.4839 -0.0821
449
51 -50.76473 0.1639 -0.0646 -0.2295
450
52 -50.76463 -0.1645 0.0751 0.2253
451
53 -50.75070 0.3067 -0.3582 -0.0268
452
54 -50.75054 -0.3119 0.3522 0.0219
453
55 -50.74878 -0.0241 0.0121 0.4762
454
56 -50.74875 0.0097 -0.0040 -0.4853
455
57 -50.74856 -0.0820 0.0698 -0.1565
456
58 -50.74850 0.1094 -0.0780 0.1650
457
59 -50.74818 -0.1292 0.1252 0.0460
458
60 -50.74813 0.1214 -0.1101 -0.0416
459
61 -50.73809 -0.0439 -0.0912 -0.2743
460
62 -50.73807 0.0437 0.0893 0.2737
461
63 -50.73671 -0.0152 -0.2047 -0.1134
462
64 -50.73668 0.0162 0.2044 0.1153
463
65 -50.71703 0.1762 -0.1513 0.3279
464
66 -50.71698 -0.1787 0.1498 -0.3319
465
67 -50.71107 -0.2770 0.4365 -0.1362
466
68 -50.71102 0.2787 -0.4326 0.1386
467
69 -50.70752 -0.0141 0.0842 0.2571
468
70 -50.70748 0.0144 -0.0869 -0.2569
469
71 -50.69744 -0.0318 -0.0919 -0.4806
470
72 -50.69740 0.0318 0.0967 0.4824
471
73 -50.69359 -0.0072 0.1127 0.2018
472
74 -50.69353 0.0077 -0.1178 -0.2011
473
75 -50.69156 0.1714 -0.4805 0.1921
474
76 -50.69153 -0.1718 0.4783 -0.1939
475
77 -50.67065 -0.0042 -0.0900 -0.3026
476
78 -50.67063 0.0041 0.0909 0.3024
477
79 -50.37978 0.0241 -0.5677 -0.0114
478
80 -50.37966 -0.0238 0.5697 0.0113
479
81 -50.36793 0.0009 0.1405 -0.0311
480
82 -50.36781 -0.0033 -0.1334 0.0318
481
83 -50.36314 0.0231 0.5751 0.0432
482
84 -50.36304 -0.0239 -0.5771 -0.0439
483
85 -50.34545 0.2251 -0.1630 0.0334
484
86 -50.34532 -0.2234 0.1553 -0.0319
485
87 -50.34024 0.0705 0.1866 -0.0897
486
88 -50.34013 -0.0684 -0.1956 0.0891
487
89 -50.32249 0.0481 -0.2104 -0.1115
488
90 -50.32236 -0.0488 0.2199 0.1107
489
91 -29.08020 -0.0005 0.0014 0.1930
490
92 -29.08020 0.0005 -0.0013 -0.1930
491
93 -29.07569 0.0008 -0.0024 -0.0766
492
94 -29.07569 -0.0004 0.0007 0.0767
493
95 -29.07495 -0.0008 0.0024 0.0159
494
96 -29.07495 0.0004 -0.0006 -0.0160
495
97 -29.06417 0.0015 0.0001 0.0686
496
98 -29.06417 -0.0014 -0.0003 -0.0686
497
99 -29.05159 0.0675 -0.3973 -0.0002
498
100 -29.05159 -0.0675 0.3974 0.0002
499
101 -29.04910 -0.0680 0.3959 -0.0002
500
102 -29.04909 0.0680 -0.3960 0.0002
501
103 -29.04705 -0.0604 0.3962 -0.0014
502
104 -29.04705 0.0604 -0.3962 0.0014
503
105 -29.03333 0.0652 -0.3938 0.0000
504
106 -29.03333 -0.0652 0.3938 -0.0000
505
107 -29.02457 -0.0013 0.0069 0.1607
506
108 -29.02457 -0.0003 0.0020 -0.1607
507
109 -29.02455 0.0012 -0.0064 -0.1602
508
110 -29.02455 0.0004 -0.0025 0.1602
509
111 -29.00455 0.0635 -0.3893 -0.0000
510
112 -29.00454 -0.0635 0.3893 0.0000
511
113 -29.00425 -0.0655 0.4002 0.0000
512
114 -29.00423 0.0655 -0.4002 -0.0000
513
115 -26.15001 -0.0090 0.1111 0.0126
514
116 -26.15001 0.0090 -0.1112 -0.0126
515
117 -26.13654 -0.0450 0.1039 -0.0863
516
118 -26.13654 0.0449 -0.1033 0.0863
517
119 -26.13444 0.0353 -0.1048 0.0454
518
120 -26.13444 -0.0352 0.1041 -0.0454
519
121 -26.10100 -0.0478 0.0047 -0.0651
520
122 -26.10100 0.0477 -0.0043 0.0651
521
123 -26.08895 -0.0217 -0.0115 0.3137
522
124 -26.08895 0.0218 0.0109 -0.3137
523
125 -26.08453 0.0065 -0.0203 -0.4007
524
126 -26.08453 -0.0064 0.0196 0.4007
525
127 -26.08420 -0.0100 0.0230 0.5166
526
128 -26.08420 0.0095 -0.0208 -0.5169
527
129 -26.08232 0.1683 -0.0786 -0.0687
528
130 -26.08232 -0.1679 0.0770 0.0689
529
131 -26.07528 -0.0489 0.4100 -0.0089
530
132 -26.07528 0.0490 -0.4104 0.0090
531
133 -26.07090 0.0298 -0.4020 0.0153
532
134 -26.07089 -0.0300 0.4027 -0.0153
533
135 -26.06390 -0.0223 0.1447 0.1082
534
136 -26.06388 0.0232 -0.1459 -0.1084
535
137 -26.06365 0.0098 -0.1244 -0.2081
536
138 -26.06363 -0.0105 0.1236 0.2106
537
139 -26.06319 0.0190 -0.0734 0.0545
538
140 -26.06319 -0.0193 0.0756 -0.0568
539
141 -26.04947 -0.0756 0.5481 0.0006
540
142 -26.04947 0.0756 -0.5482 -0.0006
541
143 -26.03387 -0.0123 0.0182 0.3522
542
144 -26.03387 0.0112 -0.0138 -0.3523
543
145 -26.03372 0.0115 -0.0156 -0.3512
544
146 -26.03372 -0.0104 0.0110 0.3513
545
147 -26.02148 0.0540 -0.4974 -0.0021
546
148 -26.02147 -0.0541 0.4975 0.0021
547
149 -26.02091 -0.0632 0.5401 0.0017
548
150 -26.02090 0.0633 -0.5401 -0.0017
549
151 -18.92799 0.1683 -0.9831 -0.0717
550
152 -18.92799 -0.1683 0.9831 0.0717
551
153 -18.85206 0.1735 -0.9848 -0.0037
552
154 -18.85206 -0.1735 0.9848 0.0037
553
155 -18.83205 -0.1738 0.9848 -0.0001
554
156 -18.83205 0.1738 -0.9848 0.0001
555
157 -18.27504 0.1732 -0.9848 0.0001
556
158 -18.27504 -0.1732 0.9848 -0.0001
557
159 -18.05890 0.1736 -0.9847 -0.0002
558
160 -18.05890 -0.1736 0.9847 0.0002
559
161 -17.86099 0.1739 -0.9847 -0.0012
560
162 -17.86099 -0.1739 0.9847 0.0012
561
163 -17.44162 0.1735 -0.9846 -0.0002
562
164 -17.44162 -0.1735 0.9846 0.0002
563
165 -17.19000 0.1738 -0.9846 -0.0007
564
166 -17.19000 -0.1738 0.9846 0.0007
565
167 -17.07076 0.1732 -0.9847 -0.0006
566
168 -17.07076 -0.1732 0.9847 0.0006
567
169 -14.82705 0.1727 -0.9849 0.0005
568
170 -14.82705 -0.1727 0.9849 -0.0005
569
171 -14.58359 -0.1684 0.9856 0.0011
570
172 -14.58359 0.1684 -0.9856 -0.0011
571
173 -14.39232 -0.1733 0.9847 -0.0003
572
174 -14.39232 0.1733 -0.9847 0.0003
573
175 -13.40698 0.1778 -0.9840 0.0004
574
176 -13.40698 -0.1778 0.9840 -0.0004
575
177 -13.20775 -0.1770 0.9842 -0.0013
576
178 -13.20775 0.1770 -0.9842 0.0013
577
179 -13.09397 -0.1732 0.9849 -0.0015
578
180 -13.09397 0.1732 -0.9849 0.0015
579
181 -7.66516 0.3505 -0.8053 -0.0873
580
182 -7.66516 -0.3505 0.8053 0.0873
581
183 -7.45082 0.1784 -0.8014 0.0011
582
184 -7.45082 -0.1784 0.8014 -0.0011
583
185 -7.25768 0.1065 -0.6046 -0.0011
584
186 -7.25767 -0.1065 0.6046 0.0011
585
187 -6.88535 0.0565 -0.5068 -0.0020
586
188 -6.88535 -0.0565 0.5068 0.0020
587
189 -6.84311 0.0258 -0.1856 0.0008
588
190 -6.84311 -0.0258 0.1856 -0.0008
589
191 -6.62527 -0.0714 0.4132 0.0022
590
192 -6.62524 0.0715 -0.4132 -0.0022
591
193 -6.59185 0.0571 -0.3316 -0.0052
592
194 -6.59182 -0.0571 0.3317 0.0052
593
195 -6.45858 -0.0128 0.3289 0.0810
594
196 -6.45857 0.0459 -0.3338 -0.1149
595
197 -6.45454 0.0275 -0.0346 -0.2024
596
198 -6.45453 -0.0278 0.0374 0.2037
597
199 -6.39878 -0.0001 0.0024 -0.0028
598
200 -6.39877 -0.0010 0.0032 0.0029
599
201 -6.39546 0.0108 -0.0108 0.0184
600
202 -6.39545 -0.0108 0.0114 -0.0186
601
203 -6.27942 -0.0510 0.3093 0.0134
602
204 -6.27941 0.0520 -0.3146 -0.0133
603
205 -6.23465 0.0477 -0.2935 0.0184
604
206 -6.23465 -0.0464 0.2868 -0.0185
605
207 -6.06767 0.0693 -0.3328 0.0041
606
208 -6.06767 -0.0700 0.3372 -0.0042
607
209 -5.98900 -0.0587 0.2912 0.0677
608
210 -5.98900 0.0582 -0.2883 -0.0678
609
211 -5.95365 -0.0064 0.0141 -0.5624
610
212 -5.95365 0.0061 -0.0124 0.5625
611
213 -5.89538 -0.0018 0.0004 -0.3582
612
214 -5.89538 0.0019 -0.0011 0.3582
613
215 -5.78436 -0.0268 0.1648 0.0099
614
216 -5.78436 0.0268 -0.1650 -0.0099
615
217 -5.68804 0.0164 -0.0821 -0.0022
616
218 -5.68804 -0.0163 0.0812 0.0023
617
219 -5.42696 -0.1401 0.8179 -0.0165
618
220 -5.42691 0.1357 -0.7925 0.0158
619
221 -5.40432 0.0175 -0.1114 0.0569
620
222 -5.40428 -0.0138 0.0897 -0.0561
621
223 -5.36655 0.1033 -0.4050 0.0888
622
224 -5.36653 -0.1023 0.3990 -0.0887
623
225 -5.34622 0.0236 -0.0878 -0.1394
624
226 -5.34621 -0.0238 0.0891 0.1392
625
227 -5.28000 -0.0023 -0.0014 0.5148
626
228 -5.28000 0.0023 0.0018 -0.5148
627
229 -5.25001 0.0007 0.0040 0.1218
628
230 -5.25001 -0.0007 -0.0043 -0.1218
629
231 -5.01420 0.1555 -0.6454 -0.0079
630
232 -5.01420 -0.1557 0.6460 0.0079
631
233 -4.82866 0.0985 -0.5814 0.0003
632
234 -4.82865 -0.0952 0.5625 -0.0003
633
235 -4.77471 -0.1081 0.5834 0.0005
634
236 -4.77470 0.1044 -0.5627 -0.0005
635
237 -4.38161 -0.1206 0.6717 0.0001
636
238 -4.38160 0.1201 -0.6687 -0.0001
637
239 -4.24213 -0.0821 0.4573 -0.0003
638
240 -4.24213 0.0818 -0.4552 0.0003
639
241 -3.99106 0.0530 -0.3063 -0.0007
640
242 -3.99106 -0.0533 0.3083 0.0006
641
243 -3.84188 0.0457 -0.2833 -0.0039
642
244 -3.84188 -0.0461 0.2861 0.0039
643
245 -3.75712 -0.0486 0.2769 0.0026
644
246 -3.75712 0.0479 -0.2719 -0.0026
645
247 -2.98053 -0.0830 0.4641 -0.0010
646
248 -2.98053 0.0837 -0.4680 0.0010
647
249 -2.79739 -0.0729 0.4657 0.0011
648
250 -2.79739 0.0733 -0.4684 -0.0011
649
251 -2.59645 -0.0901 0.4952 -0.0007
650
252 -2.59644 0.0904 -0.4971 0.0007
651
253 -2.17608 0.0010 0.0013 -0.4354
652
254 -2.17608 -0.0013 0.0003 0.4354
653
255 -2.03659 -0.0014 0.0010 0.2932
654
256 -2.03659 0.0011 0.0010 -0.2932
655
257 -1.92635 -0.0002 0.0011 0.3612
656
258 -1.92635 -0.0001 0.0011 -0.3613
657
259 -1.32853 -0.1547 0.5643 -0.0194
658
260 -1.32853 0.1552 -0.5672 0.0194
659
261 -1.16533 0.1119 -0.5613 0.0154
660
262 -1.16533 -0.1116 0.5593 -0.0154
661
263 -1.07996 -0.0008 0.0093 -0.9285
662
264 -1.07996 0.0009 -0.0098 0.9285
663
265 -1.00856 0.1232 -0.5665 0.0218
664
266 -1.00856 -0.1229 0.5644 -0.0218
665
267 -0.96021 -0.0156 -0.0136 0.5477
666
268 -0.96021 0.0157 0.0128 -0.5477
667
269 -0.89542 -0.0024 0.0024 -0.7615
668
270 -0.89542 0.0024 -0.0021 0.7615
669
271 5.79077 0.1909 -1.0806 0.0006
670
272 5.79077 -0.1911 1.0814 -0.0006
671
273 6.10218 0.1831 -1.0442 0.0007
672
274 6.10218 -0.1833 1.0451 -0.0007
673
275 6.29161 0.1965 -1.1368 -0.0086
674
276 6.29161 -0.1967 1.1378 0.0086
675
277 6.93488 0.2538 -1.4374 0.0101
676
278 6.93488 -0.2534 1.4353 -0.0101
677
279 7.01688 0.2710 -1.5109 0.0071
678
280 7.01688 -0.2706 1.5087 -0.0070
679
281 7.22958 0.2211 -1.2617 -0.0011
680
282 7.22958 -0.2211 1.2615 0.0011
681
283 7.49591 -0.2207 1.2337 -0.0103
682
284 7.49591 0.2204 -1.2317 0.0103
683
285 7.62586 -0.2284 1.3071 -0.0077
684
286 7.62586 0.2281 -1.3054 0.0077
685
287 8.17015 0.2920 -1.6534 -0.0106
686
288 8.17016 -0.2918 1.6521 0.0106
687
289 9.13982 0.2374 -1.3592 0.0529
688
290 9.13984 -0.2368 1.3556 -0.0529
689
291 9.39341 -0.0202 0.1269 -0.0800
690
292 9.39343 0.0199 -0.1260 0.0798
691
293 9.53547 0.0072 0.0302 1.1069
692
294 9.53547 -0.0072 -0.0303 -1.1067
693
295 9.68208 0.2382 -1.3449 0.1682
694
296 9.68209 -0.2374 1.3404 -0.1682
695
297 9.82357 -0.0021 0.0169 0.0716
696
298 9.82357 0.0018 -0.0151 -0.0716
697
299 10.01971 -0.0044 -0.0066 -1.0914
698
300 10.01971 0.0043 0.0069 1.0913
699
301 10.37761 -0.1688 0.9728 -0.0094
700
302 10.37764 0.1695 -0.9767 0.0094
701
303 10.51265 -0.1163 0.6106 0.2503
702
304 10.51267 0.1161 -0.6100 -0.2497
703
305 10.64113 0.1895 -1.1065 -0.2129
704
306 10.64114 -0.1893 1.1052 0.2124
705
307 11.53331 -0.2023 1.1477 0.0425
706
308 11.53333 0.2016 -1.1441 -0.0424
707
309 11.81245 -0.1033 0.5835 0.0872
708
310 11.81246 0.1036 -0.5847 -0.0871
709
311 12.14117 0.1465 -0.8324 -0.0539
710
312 12.14121 -0.1462 0.8304 0.0538
711
313 12.89873 -0.0126 0.0495 0.0236
712
314 12.89875 0.0109 -0.0406 -0.0233
713
315 13.11164 0.0046 0.0240 -1.0349
714
316 13.11164 -0.0040 -0.0275 1.0347
715
317 13.46324 -0.0031 0.0201 -0.0140
716
318 13.46324 0.0030 -0.0196 0.0140
717
319 14.20760 -0.0069 0.0295 0.1399
718
320 14.20760 0.0069 -0.0293 -0.1399
719
321 14.71849 0.0033 -0.0137 0.3816
720
322 14.71849 -0.0036 0.0151 -0.3816
721
323 14.81630 0.0183 -0.1136 -0.0153
722
324 14.81634 -0.0180 0.1117 0.0152
723
325 14.96786 -0.0278 0.1868 -0.0636
724
326 14.96791 0.0274 -0.1850 0.0638
725
327 15.05359 0.0825 -0.5772 0.0655
726
328 15.05361 -0.0833 0.5816 -0.0654
727
329 15.19598 0.0235 -0.3355 -0.5985
728
330 15.19602 -0.0208 0.3229 0.5980
729
331 15.19863 0.0027 0.0077 0.6245
730
332 15.19867 -0.0057 0.0063 -0.6243
731
333 15.31947 -0.0041 0.0238 -0.0518
732
334 15.31948 0.0043 -0.0249 0.0518
733
335 15.82480 -0.0012 -0.0039 -0.1208
734
336 15.82480 0.0012 0.0039 0.1208
735
337 16.24874 -0.1655 0.9727 0.0022
736
338 16.24875 0.1662 -0.9773 -0.0022
737
339 16.62884 -0.1171 0.6575 0.0094
738
340 16.62884 0.1178 -0.6621 -0.0094
739
341 17.18374 0.0605 -0.3335 -0.0164
740
342 17.18375 -0.0608 0.3353 0.0164
741
343 17.55407 -0.0020 0.0019 0.8699
742
344 17.55407 0.0013 0.0019 -0.8699
743
345 17.75057 0.2571 -1.1606 0.0471
744
346 17.75057 -0.2563 1.1558 -0.0471
745
347 18.23478 0.0334 -0.2007 -0.1390
746
348 18.23479 -0.0334 0.2009 0.1390
747
349 18.53850 -0.0042 0.0036 0.8106
748
350 18.53850 0.0040 -0.0024 -0.8104
749
351 18.76555 0.0011 -0.0011 -0.9443
750
352 18.76555 -0.0011 0.0012 0.9440
751
353 19.21118 0.0049 -0.0187 0.0605
752
354 19.21119 0.0010 -0.0146 -0.0606
753
355 19.24866 -0.0028 -0.0279 0.2084
754
356 19.24866 -0.0035 0.0636 -0.2082
755
357 19.44127 -0.0013 0.0217 -0.0633
756
358 19.44127 0.0013 -0.0217 0.0634
757
359 19.75416 -0.0040 0.0019 1.1494
758
360 19.75416 0.0041 -0.0025 -1.1494
759
361 20.20255 0.0005 0.0000 -0.6006
760
362 20.20255 -0.0004 -0.0006 0.6006
761
363 20.51024 -0.0012 0.0203 -0.5197
762
364 20.51025 0.0013 -0.0206 0.5197
763
365 21.07648 0.0035 0.0056 0.8037
764
366 21.07648 -0.0035 -0.0059 -0.8037
765
367 21.26308 0.1436 -0.7670 -0.0200
766
368 21.26309 -0.1434 0.7659 0.0199
767
369 21.33945 -0.1299 0.7312 0.0112
768
370 21.33946 0.1297 -0.7299 -0.0112
769
371 21.78861 -0.1375 0.7749 0.0002
770
372 21.78861 0.1374 -0.7746 -0.0002
771
373 25.90995 0.2138 -1.2086 0.0086
772
374 25.90995 -0.2137 1.2083 -0.0086
773
375 27.95818 -0.2083 1.1433 0.0006
774
376 27.95818 0.2082 -1.1429 -0.0006
775
377 31.13796 0.2009 -1.1428 -0.0015
776
378 31.13796 -0.2010 1.1432 0.0015
777
379 39.40581 -0.1214 0.6875 -0.0001
778
380 39.40581 0.1213 -0.6872 0.0001
779
381 42.22538 0.1515 -0.8338 0.0077
780
382 42.22538 -0.1515 0.8339 -0.0077
781
383 46.54510 -0.1568 0.8866 0.0005
782
384 46.54510 0.1568 -0.8867 -0.0005
783
385 50.27645 0.1514 -0.8578 -0.0060
784
386 50.27645 -0.1514 0.8579 0.0060
785
387 52.16722 0.1426 -0.8015 -0.0045
786
388 52.16722 -0.1426 0.8016 0.0045
787
389 53.96639 0.1357 -0.7694 -0.0224
788
390 53.96639 -0.1357 0.7694 0.0224
789
790
k-point 3 ( 0.004530 0.001649 0.000000 ) (Bohr^-1)
791
ie e(eV) Sx Sy Sz
792
1 -51.72595 -0.1560 -0.4077 0.0348
793
2 -51.72595 0.1560 0.4076 -0.0348
794
3 -51.67056 -0.1544 0.3580 -0.0253
795
4 -51.67053 0.1519 -0.3571 0.0261
796
5 -51.66991 0.1367 -0.3895 -0.0097
797
6 -51.66985 -0.1365 0.3898 0.0096
798
7 -51.66904 0.2205 -0.1011 -0.0863
799
8 -51.66890 -0.2342 0.1076 0.1046
800
9 -51.66713 -0.0353 0.0220 -0.2431
801
10 -51.66702 0.0511 -0.0286 0.2259
802
11 -51.66347 -0.0771 0.3460 -0.0060
803
12 -51.66337 0.0766 -0.3454 0.0046
804
13 -51.65083 -0.0335 0.0359 -0.4103
805
14 -51.65081 0.0347 -0.0392 0.4097
806
15 -51.62123 0.0248 -0.0175 0.3789
807
16 -51.62122 -0.0254 0.0192 -0.3787
808
17 -51.61745 0.0773 0.3281 0.0687
809
18 -51.61731 -0.0786 -0.3308 -0.0663
810
19 -51.61430 -0.2771 0.2471 -0.0839
811
20 -51.61414 0.2808 -0.2493 0.0806
812
21 -51.61141 -0.2989 -0.1273 0.0986
813
22 -51.61138 0.3020 0.1227 -0.1001
814
23 -51.60396 0.0196 -0.0108 0.2262
815
24 -51.60393 -0.0231 0.0161 -0.2247
816
25 -51.60082 0.0245 -0.0152 0.3117
817
26 -51.60079 -0.0272 0.0207 -0.3109
818
27 -51.58233 -0.0383 0.0365 -0.1139
819
28 -51.58232 0.0389 -0.0379 0.1139
820
29 -51.26114 -0.1945 0.1857 0.0367
821
30 -51.26101 0.2005 -0.1965 -0.0415
822
31 -51.25336 0.0557 -0.0751 0.3946
823
32 -51.25327 -0.0616 0.0857 -0.3898
824
33 -51.25218 0.1576 -0.3527 -0.0246
825
34 -51.25208 -0.1590 0.3562 0.0249
826
35 -51.22184 -0.0272 0.0192 -0.3833
827
36 -51.22182 0.0286 -0.0226 0.3830
828
37 -50.84149 -0.0128 0.5911 0.0058
829
38 -50.84149 0.0128 -0.5911 -0.0058
830
39 -50.80217 -0.1157 0.0964 0.1964
831
40 -50.80215 0.1155 -0.0953 -0.1967
832
41 -50.78401 -0.0838 -0.5816 -0.0395
833
42 -50.78392 0.0957 0.5722 0.0499
834
43 -50.78355 0.0737 0.5825 0.0349
835
44 -50.78346 -0.1000 -0.5713 -0.0605
836
45 -50.78294 -0.0369 -0.0156 0.3514
837
46 -50.78292 0.0521 0.0114 -0.3349
838
47 -50.77954 -0.0918 -0.0927 -0.1567
839
48 -50.77945 0.0989 0.0947 0.1556
840
49 -50.76955 -0.5298 0.4565 0.0946
841
50 -50.76936 0.5249 -0.4716 -0.0889
842
51 -50.76474 0.1606 -0.0709 -0.2317
843
52 -50.76462 -0.1629 0.0807 0.2267
844
53 -50.75071 0.3548 -0.3425 -0.0293
845
54 -50.75053 -0.3597 0.3377 0.0236
846
55 -50.74879 -0.0258 0.0134 0.4758
847
56 -50.74875 0.0086 -0.0036 -0.4868
848
57 -50.74856 -0.0943 0.0732 -0.1829
849
58 -50.74850 0.1247 -0.0844 0.1930
850
59 -50.74818 -0.1658 0.1404 0.0539
851
60 -50.74813 0.1559 -0.1258 -0.0486
852
61 -50.73809 -0.0359 -0.0814 -0.3385
853
62 -50.73807 0.0360 0.0797 0.3378
854
63 -50.73672 0.0135 -0.1733 -0.1256
855
64 -50.73668 -0.0123 0.1729 0.1279
856
65 -50.71704 0.1871 -0.1441 0.3365
857
66 -50.71697 -0.1895 0.1430 -0.3414
858
67 -50.71107 -0.3440 0.4130 -0.1500
859
68 -50.71102 0.3452 -0.4096 0.1530
860
69 -50.70752 -0.0279 0.0788 0.3113
861
70 -50.70748 0.0287 -0.0813 -0.3111
862
71 -50.69744 -0.0219 -0.0847 -0.6078
863
72 -50.69740 0.0212 0.0891 0.6100
864
73 -50.69359 -0.0258 0.1079 0.2525
865
74 -50.69353 0.0271 -0.1127 -0.2517
866
75 -50.69156 0.2405 -0.4313 0.2086
867
76 -50.69153 -0.2406 0.4293 -0.2107
868
77 -50.67064 0.0095 -0.0857 -0.3825
869
78 -50.67063 -0.0097 0.0865 0.3823
870
79 -50.37978 0.1116 -0.5222 -0.0135
871
80 -50.37966 -0.1115 0.5240 0.0134
872
81 -50.36793 -0.0219 0.1400 -0.0365
873
82 -50.36782 0.0181 -0.1331 0.0373
874
83 -50.36314 -0.0596 0.5063 0.0492
875
84 -50.36304 0.0590 -0.5080 -0.0501
876
85 -50.34546 0.2673 -0.1815 0.0391
877
86 -50.34532 -0.2644 0.1742 -0.0373
878
87 -50.34024 0.0497 0.1637 -0.1080
879
88 -50.34013 -0.0461 -0.1724 0.1073
880
89 -50.32249 0.0823 -0.1955 -0.1314
881
90 -50.32236 -0.0846 0.2044 0.1305
882
91 -29.08020 -0.0008 0.0010 0.2768
883
92 -29.08020 0.0008 -0.0010 -0.2768
884
93 -29.07569 0.0012 -0.0022 -0.0892
885
94 -29.07569 -0.0006 0.0006 0.0892
886
95 -29.07495 -0.0012 0.0022 0.0192
887
96 -29.07495 0.0006 -0.0005 -0.0192
888
97 -29.06417 0.0016 0.0006 0.0924
889
98 -29.06417 -0.0016 -0.0008 -0.0924
890
99 -29.05159 0.1350 -0.3792 -0.0002
891
100 -29.05159 -0.1351 0.3793 0.0002
892
101 -29.04910 -0.1355 0.3776 -0.0004
893
102 -29.04909 0.1356 -0.3777 0.0004
894
103 -29.04705 -0.1283 0.3791 -0.0009
895
104 -29.04705 0.1283 -0.3792 0.0009
896
105 -29.03333 0.1324 -0.3761 -0.0001
897
106 -29.03333 -0.1324 0.3761 0.0001
898
107 -29.02457 -0.0025 0.0067 0.1689
899
108 -29.02457 -0.0006 0.0018 -0.1689
900
109 -29.02455 0.0024 -0.0062 -0.1684
901
110 -29.02455 0.0008 -0.0023 0.1684
902
111 -29.00455 0.1299 -0.3716 -0.0001
903
112 -29.00454 -0.1299 0.3716 0.0001
904
113 -29.00425 -0.1338 0.3821 0.0001
905
114 -29.00424 0.1338 -0.3821 -0.0001
906
115 -26.15001 -0.0279 0.1085 0.0109
907
116 -26.15001 0.0280 -0.1085 -0.0109
908
117 -26.13654 -0.0611 0.0963 -0.0712
909
118 -26.13654 0.0609 -0.0957 0.0712
910
119 -26.13444 0.0525 -0.0981 0.0373
911
120 -26.13444 -0.0523 0.0974 -0.0373
912
121 -26.10100 -0.0475 0.0107 -0.0494
913
122 -26.10100 0.0474 -0.0103 0.0494
914
123 -26.08895 -0.0228 -0.0074 0.3782
915
124 -26.08895 0.0230 0.0069 -0.3782
916
125 -26.08453 0.0102 -0.0199 -0.4734
917
126 -26.08453 -0.0099 0.0192 0.4735
918
127 -26.08420 -0.0130 0.0195 0.5335
919
128 -26.08420 0.0121 -0.0174 -0.5337
920
129 -26.08232 0.1647 -0.0830 -0.0691
921
130 -26.08232 -0.1640 0.0815 0.0693
922
131 -26.07528 -0.1168 0.3887 -0.0106
923
132 -26.07528 0.1170 -0.3892 0.0106
924
133 -26.07090 0.0966 -0.3866 0.0190
925
134 -26.07089 -0.0969 0.3873 -0.0190
926
135 -26.06390 -0.0472 0.1410 0.1291
927
136 -26.06388 0.0484 -0.1424 -0.1302
928
137 -26.06365 0.0289 -0.1193 -0.2104
929
138 -26.06364 -0.0294 0.1188 0.2128
930
139 -26.06319 0.0265 -0.0695 0.1223
931
140 -26.06319 -0.0272 0.0716 -0.1236
932
141 -26.04947 -0.1673 0.5214 0.0006
933
142 -26.04947 0.1674 -0.5214 -0.0006
934
143 -26.03387 -0.0158 0.0174 0.3847
935
144 -26.03387 0.0140 -0.0132 -0.3847
936
145 -26.03372 0.0145 -0.0146 -0.3849
937
146 -26.03372 -0.0126 0.0102 0.3850
938
147 -26.02148 0.1370 -0.4744 -0.0024
939
148 -26.02147 -0.1371 0.4745 0.0024
940
149 -26.02091 -0.1537 0.5154 0.0020
941
150 -26.02091 0.1538 -0.5154 -0.0020
942
151 -18.92799 0.3360 -0.9382 -0.0825
943
152 -18.92799 -0.3360 0.9382 0.0825
944
153 -18.85206 0.3419 -0.9397 -0.0034
945
154 -18.85206 -0.3419 0.9397 0.0034
946
155 -18.83205 -0.3421 0.9396 -0.0007
947
156 -18.83205 0.3421 -0.9396 0.0007
948
157 -18.27504 0.3416 -0.9398 0.0000
949
158 -18.27504 -0.3416 0.9398 -0.0000
950
159 -18.05890 0.3419 -0.9396 -0.0004
951
160 -18.05890 -0.3419 0.9396 0.0004
952
161 -17.86099 0.3422 -0.9395 -0.0017
953
162 -17.86099 -0.3422 0.9395 0.0017
954
163 -17.44162 0.3419 -0.9396 -0.0003
955
164 -17.44162 -0.3419 0.9396 0.0003
956
165 -17.19000 0.3422 -0.9394 -0.0009
957
166 -17.19000 -0.3422 0.9394 0.0009
958
167 -17.07076 0.3416 -0.9396 -0.0006
959
168 -17.07076 -0.3416 0.9396 0.0006
960
169 -14.82705 0.3410 -0.9399 0.0009
961
170 -14.82705 -0.3410 0.9399 -0.0009
962
171 -14.58359 -0.3374 0.9412 0.0017
963
172 -14.58359 0.3374 -0.9412 -0.0017
964
173 -14.39232 -0.3417 0.9396 -0.0002
965
174 -14.39232 0.3417 -0.9396 0.0002
966
175 -13.40698 0.3461 -0.9382 -0.0007
967
176 -13.40698 -0.3461 0.9382 0.0007
968
177 -13.20775 -0.3452 0.9385 -0.0010
969
178 -13.20775 0.3452 -0.9385 0.0010
970
179 -13.09397 -0.3416 0.9398 -0.0016
971
180 -13.09397 0.3416 -0.9398 0.0016
972
181 -7.66516 0.4715 -0.7394 -0.0966
973
182 -7.66516 -0.4715 0.7394 0.0966
974
183 -7.45082 0.3144 -0.7584 -0.0035
975
184 -7.45082 -0.3144 0.7584 0.0035
976
185 -7.25767 0.2099 -0.5769 -0.0008
977
186 -7.25767 -0.2099 0.5769 0.0008
978
187 -6.88535 0.1427 -0.4894 -0.0011
979
188 -6.88535 -0.1427 0.4894 0.0011
980
189 -6.84311 0.0575 -0.1781 0.0016
981
190 -6.84311 -0.0575 0.1781 -0.0016
982
191 -6.62527 -0.1420 0.3941 0.0013
983
192 -6.62523 0.1420 -0.3941 -0.0013
984
193 -6.59186 0.1136 -0.3163 -0.0030
985
194 -6.59183 -0.1136 0.3163 0.0030
986
195 -6.45858 -0.0567 0.2966 0.0541
987
196 -6.45858 0.1058 -0.3314 -0.0726
988
197 -6.45453 0.0518 -0.0686 -0.1466
989
198 -6.45453 -0.0526 0.0712 0.1473
990
199 -6.39881 -0.0012 0.0048 -0.0176
991
200 -6.39881 -0.0008 0.0006 0.0177
992
201 -6.39543 0.0213 -0.0213 0.0242
993
202 -6.39542 -0.0215 0.0219 -0.0244
994
203 -6.27942 -0.1035 0.2959 0.0106
995
204 -6.27941 0.1055 -0.3009 -0.0105
996
205 -6.23465 0.0983 -0.2814 0.0143
997
206 -6.23465 -0.0958 0.2750 -0.0143
998
207 -6.06767 0.1257 -0.3155 0.0015
999
208 -6.06767 -0.1271 0.3196 -0.0015
1000
209 -5.98900 -0.1067 0.2742 0.0637
1001
210 -5.98899 0.1057 -0.2714 -0.0637
1002
211 -5.95365 -0.0013 0.0152 -0.5681
1003
212 -5.95365 0.0008 -0.0137 0.5682
1004
213 -5.89538 -0.0025 -0.0005 -0.5143
1005
214 -5.89538 0.0028 -0.0001 0.5143
1006
215 -5.78436 -0.0550 0.1576 0.0096
1007
216 -5.78436 0.0550 -0.1577 -0.0096
1008
217 -5.68804 0.0302 -0.0778 -0.0016
1009
218 -5.68804 -0.0300 0.0769 0.0016
1010
219 -5.42694 -0.2800 0.7810 -0.0094
1011
220 -5.42689 0.2712 -0.7567 0.0090
1012
221 -5.40434 0.0366 -0.1070 0.0332
1013
222 -5.40431 -0.0294 0.0863 -0.0327
1014
223 -5.36654 0.1716 -0.3811 0.0504
1015
224 -5.36653 -0.1695 0.3754 -0.0503
1016
225 -5.34621 0.0386 -0.0833 -0.0795
1017
226 -5.34621 -0.0390 0.0845 0.0793
1018
227 -5.28000 -0.0024 -0.0008 0.5652
1019
228 -5.28000 0.0022 0.0013 -0.5652
1020
229 -5.25001 0.0016 0.0029 0.4430
1021
230 -5.25001 -0.0015 -0.0032 -0.4430
1022
231 -5.01420 0.2644 -0.6090 -0.0090
1023
232 -5.01420 -0.2647 0.6096 0.0090
1024
233 -4.82865 0.1980 -0.5555 0.0005
1025
234 -4.82864 -0.1914 0.5375 -0.0004
1026
235 -4.77471 -0.2077 0.5558 0.0008
1027
236 -4.77470 0.2005 -0.5361 -0.0008
1028
237 -4.38161 -0.2354 0.6405 0.0006
1029
238 -4.38160 0.2344 -0.6377 -0.0006
1030
239 -4.24213 -0.1603 0.4361 0.0001
1031
240 -4.24213 0.1596 -0.4341 -0.0001
1032
241 -3.99106 0.1054 -0.2924 -0.0007
1033
242 -3.99106 -0.1061 0.2944 0.0007
1034
243 -3.84188 0.0942 -0.2710 -0.0046
1035
244 -3.84188 -0.0951 0.2737 0.0046
1036
245 -3.75712 -0.0959 0.2642 0.0029
1037
246 -3.75712 0.0944 -0.2595 -0.0029
1038
247 -2.98053 -0.1624 0.4426 -0.0007
1039
248 -2.98053 0.1637 -0.4464 0.0007
1040
249 -2.79739 -0.1526 0.4460 0.0017
1041
250 -2.79739 0.1535 -0.4485 -0.0017
1042
251 -2.59645 -0.1748 0.4721 -0.0006
1043
252 -2.59644 0.1753 -0.4738 0.0006
1044
253 -2.17608 0.0008 0.0011 -0.4790
1045
254 -2.17608 -0.0013 0.0005 0.4790
1046
255 -2.03659 -0.0015 0.0012 0.3318
1047
256 -2.03659 0.0008 0.0008 -0.3318
1048
257 -1.92635 -0.0004 0.0008 0.4894
1049
258 -1.92635 -0.0003 0.0012 -0.4895
1050
259 -1.32853 -0.2484 0.5301 -0.0164
1051
260 -1.32853 0.2494 -0.5329 0.0164
1052
261 -1.16533 0.2076 -0.5333 0.0099
1053
262 -1.16533 -0.2070 0.5314 -0.0099
1054
263 -1.07996 -0.0015 0.0095 -0.7921
1055
264 -1.07996 0.0017 -0.0100 0.7921
1056
265 -1.00856 0.2192 -0.5365 0.0142
1057
266 -1.00856 -0.2185 0.5344 -0.0142
1058
267 -0.96021 -0.0174 -0.0109 0.5375
1059
268 -0.96021 0.0176 0.0102 -0.5375
1060
269 -0.89542 -0.0020 0.0016 -0.7788
1061
270 -0.89542 0.0019 -0.0013 0.7789
1062
271 5.79077 0.3757 -1.0310 0.0004
1063
272 5.79077 -0.3760 1.0317 -0.0004
1064
273 6.10218 0.3617 -0.9966 0.0005
1065
274 6.10218 -0.3620 0.9974 -0.0005
1066
275 6.29161 0.3908 -1.0854 -0.0089
1067
276 6.29161 -0.3912 1.0864 0.0089
1068
277 6.93488 0.4995 -1.3715 0.0061
1069
278 6.93488 -0.4988 1.3695 -0.0061
1070
279 7.01688 0.5294 -1.4408 0.0049
1071
280 7.01688 -0.5286 1.4388 -0.0049
1072
281 7.22958 0.4368 -1.2041 -0.0008
1073
282 7.22958 -0.4368 1.2040 0.0008
1074
283 7.49591 -0.4316 1.1766 -0.0078
1075
284 7.49591 0.4309 -1.1747 0.0078
1076
285 7.62586 -0.4519 1.2476 -0.0024
1077
286 7.62586 0.4512 -1.2460 0.0024
1078
287 8.17015 0.5747 -1.5776 -0.0064
1079
288 8.17016 -0.5742 1.5764 0.0064
1080
289 9.13982 0.4701 -1.2980 0.0318
1081
290 9.13984 -0.4688 1.2945 -0.0317
1082
291 9.39342 -0.0414 0.1202 -0.0465
1083
292 9.39344 0.0410 -0.1192 0.0464
1084
293 9.53547 0.0115 0.0293 1.0768
1085
294 9.53547 -0.0115 -0.0293 -1.0766
1086
295 9.68208 0.4703 -1.2890 0.1047
1087
296 9.68209 -0.4687 1.2847 -0.1047
1088
297 9.82357 -0.0047 0.0156 0.0447
1089
298 9.82357 0.0041 -0.0140 -0.0447
1090
299 10.01970 -0.0094 -0.0018 -1.0710
1091
300 10.01970 0.0094 0.0021 1.0710
1092
301 10.37767 -0.3350 0.9282 -0.0049
1093
302 10.37770 0.3363 -0.9320 0.0049
1094
303 10.51254 -0.2249 0.5924 0.1486
1095
304 10.51256 0.2247 -0.5919 -0.1483
1096
305 10.64118 0.3832 -1.0682 -0.1269
1097
306 10.64119 -0.3827 1.0670 0.1266
1098
307 11.53331 -0.3987 1.0956 0.0243
1099
308 11.53334 0.3974 -1.0921 -0.0242
1100
309 11.81248 -0.2037 0.5582 0.0465
1101
310 11.81249 0.2041 -0.5592 -0.0464
1102
311 12.14114 0.2888 -0.7944 -0.0292
1103
312 12.14118 -0.2882 0.7926 0.0291
1104
313 12.89874 -0.0218 0.0492 0.0176
1105
314 12.89875 0.0186 -0.0406 -0.0174
1106
315 13.11164 -0.0045 0.0468 -0.9467
1107
316 13.11164 0.0057 -0.0502 0.9466
1108
317 13.46324 -0.0066 0.0192 -0.0206
1109
318 13.46324 0.0063 -0.0187 0.0206
1110
319 14.20760 -0.0117 0.0276 0.1957
1111
320 14.20760 0.0116 -0.0274 -0.1958
1112
321 14.71849 0.0054 -0.0132 0.3557
1113
322 14.71849 -0.0059 0.0146 -0.3556
1114
323 14.81630 0.0376 -0.1081 -0.0096
1115
324 14.81634 -0.0369 0.1063 0.0096
1116
325 14.96786 -0.0595 0.1784 -0.0369
1117
326 14.96791 0.0589 -0.1767 0.0370
1118
327 15.05358 0.1838 -0.5600 0.0382
1119
328 15.05360 -0.1854 0.5642 -0.0382
1120
329 15.19598 0.0817 -0.3321 -0.3734
1121
330 15.19602 -0.0768 0.3200 0.3731
1122
331 15.19864 -0.0003 0.0152 0.3936
1123
332 15.19867 -0.0051 -0.0017 -0.3934
1124
333 15.31947 -0.0082 0.0226 -0.0131
1125
334 15.31948 0.0086 -0.0237 0.0131
1126
335 15.82480 -0.0024 -0.0021 -0.4410
1127
336 15.82480 0.0023 0.0022 0.4410
1128
337 16.24874 -0.3318 0.9292 0.0030
1129
338 16.24875 0.3333 -0.9336 -0.0030
1130
339 16.62884 -0.2295 0.6272 0.0066
1131
340 16.62884 0.2310 -0.6316 -0.0066
1132
341 17.18374 0.1175 -0.3175 -0.0156
1133
342 17.18375 -0.1180 0.3193 0.0156
1134
343 17.55407 -0.0024 0.0004 0.8828
1135
344 17.55407 0.0011 0.0032 -0.8828
1136
345 17.75057 0.4541 -1.0987 0.0449
1137
346 17.75058 -0.4525 1.0942 -0.0449
1138
347 18.23478 0.0671 -0.1912 -0.1418
1139
348 18.23479 -0.0671 0.1914 0.1418
1140
349 18.53850 -0.0050 0.0046 0.8238
1141
350 18.53850 0.0046 -0.0034 -0.8238
1142
351 18.76555 0.0003 -0.0009 -0.9470
1143
352 18.76555 -0.0003 0.0010 0.9469
1144
353 19.21119 0.0060 -0.0185 0.3664
1145
354 19.21119 0.0055 -0.0133 -0.3665
1146
355 19.24866 0.0009 -0.0276 0.1968
1147
356 19.24866 -0.0133 0.0616 -0.1967
1148
357 19.44127 -0.0048 0.0205 -0.0468
1149
358 19.44127 0.0049 -0.0206 0.0469
1150
359 19.75416 -0.0033 0.0040 1.0604
1151
360 19.75416 0.0035 -0.0046 -1.0604
1152
361 20.20255 0.0008 -0.0003 -0.5853
1153
362 20.20255 -0.0006 -0.0002 0.5853
1154
363 20.51025 -0.0041 0.0175 -0.7512
1155
364 20.51025 0.0043 -0.0179 0.7512
1156
365 21.07648 0.0034 0.0013 0.7751
1157
366 21.07648 -0.0032 -0.0015 -0.7751
1158
367 21.26308 0.2747 -0.7305 -0.0114
1159
368 21.26309 -0.2743 0.7295 0.0114
1160
369 21.33945 -0.2549 0.6976 0.0075
1161
370 21.33946 0.2544 -0.6964 -0.0075
1162
371 21.78861 -0.2700 0.7393 0.0001
1163
372 21.78861 0.2699 -0.7390 -0.0001
1164
373 25.90995 0.4204 -1.1531 0.0077
1165
374 25.90995 -0.4203 1.1528 -0.0077
1166
375 27.95818 -0.4036 1.0898 0.0016
1167
376 27.95818 0.4035 -1.0894 -0.0016
1168
377 31.13796 0.3962 -1.0905 -0.0013
1169
378 31.13796 -0.3964 1.0910 0.0013
1170
379 39.40581 -0.2390 0.6560 -0.0002
1171
380 39.40581 0.2388 -0.6557 0.0002
1172
381 42.22538 0.2940 -0.7949 0.0078
1173
382 42.22538 -0.2940 0.7949 -0.0078
1174
383 46.54510 -0.3083 0.8459 -0.0004
1175
384 46.54510 0.3084 -0.8460 0.0004
1176
385 50.27645 0.2981 -0.8185 -0.0031
1177
386 50.27645 -0.2981 0.8186 0.0031
1178
387 52.16722 0.2796 -0.7646 -0.0031
1179
388 52.16722 -0.2796 0.7646 0.0031
1180
389 53.96639 0.2673 -0.7343 -0.0117
1181
390 53.96639 -0.2673 0.7344 0.0117
1182
1183
k-point 4 ( 0.004175 0.002411 0.000000 ) (Bohr^-1)
1184
ie e(eV) Sx Sy Sz
1185
1 -51.72595 -0.1232 -0.4042 0.0484
1186
2 -51.72595 0.1233 0.4041 -0.0484
1187
3 -51.67056 -0.2061 0.3187 -0.0275
1188
4 -51.67053 0.2035 -0.3175 0.0284
1189
5 -51.66991 0.1990 -0.3531 -0.0108
1190
6 -51.66985 -0.1989 0.3534 0.0107
1191
7 -51.66905 0.2165 -0.1073 -0.0847
1192
8 -51.66889 -0.2318 0.1149 0.1052
1193
9 -51.66713 -0.0375 0.0228 -0.2592
1194
10 -51.66702 0.0549 -0.0309 0.2399
1195
11 -51.66347 -0.1347 0.3151 -0.0064
1196
12 -51.66337 0.1342 -0.3146 0.0049
1197
13 -51.65083 -0.0380 0.0337 -0.4244
1198
14 -51.65080 0.0398 -0.0366 0.4236
1199
15 -51.62123 0.0266 -0.0175 0.3810
1200
16 -51.62122 -0.0275 0.0190 -0.3807
1201
17 -51.61745 0.0301 0.2678 0.0763
1202
18 -51.61731 -0.0310 -0.2699 -0.0735
1203
19 -51.61430 -0.3208 0.2517 -0.0931
1204
20 -51.61414 0.3249 -0.2541 0.0893
1205
21 -51.61141 -0.2920 -0.0646 0.1108
1206
22 -51.61138 0.2960 0.0601 -0.1125
1207
23 -51.60396 0.0225 -0.0126 0.2682
1208
24 -51.60393 -0.0269 0.0177 -0.2665
1209
25 -51.60082 0.0267 -0.0161 0.3305
1210
26 -51.60079 -0.0304 0.0213 -0.3296
1211
27 -51.58233 -0.0441 0.0360 -0.1188
1212
28 -51.58232 0.0450 -0.0373 0.1188
1213
29 -51.26115 -0.2047 0.1686 0.0365
1214
30 -51.26100 0.2126 -0.1789 -0.0420
1215
31 -51.25336 0.0659 -0.0694 0.4194
1216
32 -51.25327 -0.0737 0.0795 -0.4139
1217
33 -51.25218 0.2073 -0.3131 -0.0266
1218
34 -51.25208 -0.2093 0.3164 0.0269
1219
35 -51.22184 -0.0292 0.0192 -0.3904
1220
36 -51.22182 0.0311 -0.0224 0.3901
1221
37 -50.84149 -0.1106 0.5478 0.0076
1222
38 -50.84149 0.1106 -0.5478 -0.0076
1223
39 -50.80217 -0.1348 0.1007 0.2215
1224
40 -50.80215 0.1343 -0.0998 -0.2218
1225
41 -50.78401 0.0007 -0.5476 -0.0509
1226
42 -50.78393 0.0134 0.5378 0.0629
1227
43 -50.78354 -0.0129 0.5464 0.0450
1228
44 -50.78346 -0.0163 -0.5324 -0.0744
1229
45 -50.78294 -0.0314 -0.0081 0.3593
1230
46 -50.78292 0.0478 0.0018 -0.3405
1231
47 -50.77955 -0.0746 -0.0608 -0.1625
1232
48 -50.77944 0.0817 0.0615 0.1613
1233
49 -50.76956 -0.5762 0.4407 0.0996
1234
50 -50.76936 0.5735 -0.4530 -0.0931
1235
51 -50.76474 0.1578 -0.0757 -0.2332
1236
52 -50.76461 -0.1617 0.0845 0.2276
1237
53 -50.75072 0.3895 -0.3240 -0.0311
1238
54 -50.75053 -0.3939 0.3206 0.0248
1239
55 -50.74879 -0.0272 0.0145 0.4754
1240
56 -50.74875 0.0077 -0.0034 -0.4880
1241
57 -50.74856 -0.1029 0.0740 -0.2036
1242
58 -50.74850 0.1352 -0.0877 0.2150
1243
59 -50.74818 -0.2009 0.1527 0.0603
1244
60 -50.74813 0.1895 -0.1392 -0.0542
1245
61 -50.73809 -0.0260 -0.0681 -0.3975
1246
62 -50.73807 0.0264 0.0666 0.3967
1247
63 -50.73672 0.0381 -0.1427 -0.1339
1248
64 -50.73667 -0.0368 0.1421 0.1365
1249
65 -50.71704 0.1944 -0.1376 0.3415
1250
66 -50.71697 -0.1968 0.1371 -0.3469
1251
67 -50.71108 -0.3951 0.3844 -0.1591
1252
68 -50.71101 0.3959 -0.3817 0.1624
1253
69 -50.70752 -0.0403 0.0711 0.3565
1254
70 -50.70748 0.0415 -0.0735 -0.3563
1255
71 -50.69744 -0.0101 -0.0737 -0.7280
1256
72 -50.69740 0.0087 0.0776 0.7305
1257
73 -50.69359 -0.0442 0.0994 0.2985
1258
74 -50.69353 0.0463 -0.1037 -0.2976
1259
75 -50.69157 0.2952 -0.3820 0.2189
1260
76 -50.69153 -0.2950 0.3804 -0.2212
1261
77 -50.67064 0.0238 -0.0781 -0.4566
1262
78 -50.67063 -0.0241 0.0788 0.4564
1263
79 -50.37978 0.1934 -0.4629 -0.0151
1264
80 -50.37966 -0.1936 0.4645 0.0151
1265
81 -50.36793 -0.0478 0.1350 -0.0408
1266
82 -50.36782 0.0428 -0.1284 0.0417
1267
83 -50.36314 -0.1341 0.4303 0.0536
1268
84 -50.36303 0.1337 -0.4317 -0.0546
1269
85 -50.34546 0.3003 -0.1942 0.0434
1270
86 -50.34532 -0.2961 0.1873 -0.0414
1271
87 -50.34024 0.0271 0.1354 -0.1232
1272
88 -50.34013 -0.0220 -0.1434 0.1224
1273
89 -50.32249 0.1121 -0.1763 -0.1472
1274
90 -50.32235 -0.1159 0.1844 0.1462
1275
91 -29.08020 -0.0009 0.0006 0.3540
1276
92 -29.08020 0.0009 -0.0006 -0.3540
1277
93 -29.07569 0.0016 -0.0020 -0.0982
1278
94 -29.07569 -0.0007 0.0004 0.0983
1279
95 -29.07495 -0.0016 0.0020 0.0220
1280
96 -29.07495 0.0006 -0.0004 -0.0221
1281
97 -29.06417 0.0016 0.0012 0.1281
1282
98 -29.06417 -0.0015 -0.0013 -0.1281
1283
99 -29.05159 0.1987 -0.3495 -0.0002
1284
100 -29.05159 -0.1987 0.3496 0.0002
1285
101 -29.04910 -0.1990 0.3478 -0.0007
1286
102 -29.04909 0.1990 -0.3478 0.0007
1287
103 -29.04705 -0.1932 0.3500 -0.0003
1288
104 -29.04705 0.1932 -0.3501 0.0003
1289
105 -29.03333 0.1960 -0.3467 -0.0002
1290
106 -29.03333 -0.1960 0.3467 0.0002
1291
107 -29.02457 -0.0037 0.0063 0.1679
1292
108 -29.02457 -0.0009 0.0016 -0.1679
1293
109 -29.02455 0.0034 -0.0058 -0.1675
1294
110 -29.02455 0.0012 -0.0020 0.1675
1295
111 -29.00455 0.1926 -0.3425 -0.0003
1296
112 -29.00454 -0.1926 0.3425 0.0003
1297
113 -29.00425 -0.1983 0.3522 0.0003
1298
114 -29.00424 0.1983 -0.3522 -0.0003
1299
115 -26.15001 -0.0475 0.1020 0.0079
1300
116 -26.15001 0.0476 -0.1021 -0.0079
1301
117 -26.13654 -0.0740 0.0876 -0.0513
1302
118 -26.13654 0.0737 -0.0870 0.0513
1303
119 -26.13444 0.0671 -0.0895 0.0257
1304
120 -26.13444 -0.0667 0.0889 -0.0257
1305
121 -26.10100 -0.0468 0.0155 -0.0338
1306
122 -26.10100 0.0465 -0.0151 0.0338
1307
123 -26.08895 -0.0232 -0.0030 0.4343
1308
124 -26.08895 0.0235 0.0025 -0.4343
1309
125 -26.08453 0.0134 -0.0188 -0.5257
1310
126 -26.08453 -0.0131 0.0181 0.5258
1311
127 -26.08420 -0.0151 0.0166 0.5378
1312
128 -26.08420 0.0138 -0.0146 -0.5381
1313
129 -26.08233 0.1620 -0.0858 -0.0694
1314
130 -26.08232 -0.1610 0.0844 0.0696
1315
131 -26.07528 -0.1816 0.3555 -0.0119
1316
132 -26.07528 0.1818 -0.3559 0.0119
1317
133 -26.07090 0.1636 -0.3580 0.0223
1318
134 -26.07089 -0.1640 0.3586 -0.0222
1319
135 -26.06390 -0.0718 0.1326 0.1464
1320
136 -26.06388 0.0733 -0.1340 -0.1486
1321
137 -26.06365 0.0474 -0.1099 -0.1964
1322
138 -26.06364 -0.0477 0.1095 0.1985
1323
139 -26.06319 0.0321 -0.0624 0.1964
1324
140 -26.06319 -0.0334 0.0643 -0.1964
1325
141 -26.04947 -0.2546 0.4786 0.0007
1326
142 -26.04947 0.2546 -0.4786 -0.0007
1327
143 -26.03387 -0.0185 0.0164 0.4013
1328
144 -26.03387 0.0159 -0.0125 -0.4014
1329
145 -26.03372 0.0166 -0.0136 -0.4025
1330
146 -26.03372 -0.0139 0.0095 0.4026
1331
147 -26.02147 0.2174 -0.4361 -0.0028
1332
148 -26.02147 -0.2176 0.4362 0.0028
1333
149 -26.02091 -0.2411 0.4741 0.0022
1334
150 -26.02091 0.2412 -0.4741 -0.0022
1335
151 -18.92799 0.4938 -0.8649 -0.0901
1336
152 -18.92799 -0.4938 0.8649 0.0901
1337
153 -18.85206 0.4999 -0.8661 -0.0027
1338
154 -18.85206 -0.4999 0.8661 0.0027
1339
155 -18.83205 -0.5001 0.8659 -0.0015
1340
156 -18.83205 0.5001 -0.8659 0.0015
1341
157 -18.27504 0.4996 -0.8661 -0.0001
1342
158 -18.27504 -0.4996 0.8661 0.0001
1343
159 -18.05890 0.4999 -0.8660 -0.0005
1344
160 -18.05890 -0.4999 0.8660 0.0005
1345
161 -17.86099 0.5001 -0.8658 -0.0022
1346
162 -17.86099 -0.5001 0.8658 0.0022
1347
163 -17.44162 0.4999 -0.8659 -0.0003
1348
164 -17.44162 -0.4999 0.8659 0.0003
1349
165 -17.19000 0.5001 -0.8658 -0.0010
1350
166 -17.19000 -0.5001 0.8658 0.0010
1351
167 -17.07076 0.4996 -0.8660 -0.0007
1352
168 -17.07076 -0.4996 0.8660 0.0007
1353
169 -14.82705 0.4991 -0.8664 0.0012
1354
170 -14.82705 -0.4991 0.8664 -0.0012
1355
171 -14.58359 -0.4965 0.8678 0.0023
1356
172 -14.58359 0.4965 -0.8678 -0.0023
1357
173 -14.39232 -0.4997 0.8660 -0.0000
1358
174 -14.39232 0.4997 -0.8660 0.0000
1359
175 -13.40698 0.5034 -0.8640 -0.0020
1360
176 -13.40698 -0.5034 0.8640 0.0020
1361
177 -13.20775 -0.5025 0.8645 -0.0005
1362
178 -13.20775 0.5025 -0.8645 0.0005
1363
179 -13.09397 -0.4997 0.8662 -0.0017
1364
180 -13.09397 0.4997 -0.8662 0.0017
1365
181 -7.66516 0.5670 -0.6678 -0.1029
1366
182 -7.66516 -0.5670 0.6678 0.1029
1367
183 -7.45082 0.4372 -0.6948 -0.0091
1368
184 -7.45082 -0.4372 0.6948 0.0091
1369
185 -7.25767 0.3068 -0.5316 -0.0004
1370
186 -7.25767 -0.3068 0.5316 0.0004
1371
187 -6.88535 0.2284 -0.4556 0.0001
1372
188 -6.88535 -0.2284 0.4556 -0.0001
1373
189 -6.84311 0.0880 -0.1648 0.0025
1374
190 -6.84311 -0.0880 0.1648 -0.0025
1375
191 -6.62526 -0.2082 0.3630 0.0001
1376
192 -6.62523 0.2083 -0.3630 -0.0001
1377
193 -6.59186 0.1667 -0.2913 -0.0000
1378
194 -6.59183 -0.1668 0.2914 0.0000
1379
195 -6.45858 -0.1401 0.2448 0.0084
1380
196 -6.45858 0.1778 -0.3060 -0.0017
1381
197 -6.45453 0.0520 -0.1006 0.0009
1382
198 -6.45453 -0.0533 0.1029 -0.0009
1383
199 -6.39882 -0.0044 0.0066 -0.0510
1384
200 -6.39882 0.0016 -0.0016 0.0511
1385
201 -6.39541 0.0295 -0.0454 0.0280
1386
202 -6.39541 -0.0298 0.0459 -0.0280
1387
203 -6.27942 -0.1538 0.2732 0.0063
1388
204 -6.27941 0.1567 -0.2779 -0.0063
1389
205 -6.23465 0.1465 -0.2604 0.0079
1390
206 -6.23465 -0.1428 0.2544 -0.0079
1391
207 -6.06768 0.1771 -0.2892 -0.0018
1392
208 -6.06767 -0.1791 0.2930 0.0018
1393
209 -5.98899 -0.1508 0.2515 0.0551
1394
210 -5.98899 0.1493 -0.2489 -0.0551
1395
211 -5.95365 0.0037 0.0142 -0.5763
1396
212 -5.95365 -0.0045 -0.0128 0.5763
1397
213 -5.89538 -0.0033 -0.0006 -0.5897
1398
214 -5.89538 0.0037 0.0000 0.5897
1399
215 -5.78436 -0.0816 0.1454 0.0086
1400
216 -5.78436 0.0816 -0.1456 -0.0086
1401
217 -5.68804 0.0429 -0.0713 -0.0006
1402
218 -5.68804 -0.0426 0.0705 0.0006
1403
219 -5.42692 -0.4118 0.7201 0.0003
1404
220 -5.42688 0.3989 -0.6977 -0.0003
1405
221 -5.40437 0.0549 -0.0990 0.0002
1406
222 -5.40434 -0.0442 0.0799 -0.0002
1407
223 -5.36653 0.2317 -0.3474 0.0005
1408
224 -5.36652 -0.2286 0.3421 -0.0005
1409
225 -5.34621 0.0532 -0.0759 -0.0031
1410
226 -5.34620 -0.0538 0.0770 0.0031
1411
227 -5.28001 -0.0023 -0.0003 0.5963
1412
228 -5.28000 0.0021 0.0007 -0.5963
1413
229 -5.25001 0.0023 0.0018 0.5891
1414
230 -5.25001 -0.0022 -0.0020 -0.5891
1415
231 -5.01420 0.3615 -0.5568 -0.0096
1416
232 -5.01420 -0.3619 0.5574 0.0096
1417
233 -4.82865 0.2918 -0.5125 0.0006
1418
234 -4.82864 -0.2823 0.4959 -0.0006
1419
235 -4.77471 -0.3006 0.5117 0.0010
1420
236 -4.77470 0.2901 -0.4935 -0.0010
1421
237 -4.38161 -0.3428 0.5900 0.0013
1422
238 -4.38160 0.3414 -0.5875 -0.0013
1423
239 -4.24213 -0.2334 0.4017 0.0005
1424
240 -4.24213 0.2325 -0.3999 -0.0005
1425
241 -3.99106 0.1547 -0.2696 -0.0008
1426
242 -3.99106 -0.1557 0.2714 0.0008
1427
243 -3.84188 0.1403 -0.2503 -0.0052
1428
244 -3.84188 -0.1416 0.2528 0.0052
1429
245 -3.75712 -0.1403 0.2435 0.0031
1430
246 -3.75712 0.1381 -0.2391 -0.0031
1431
247 -2.98053 -0.2367 0.4078 -0.0002
1432
248 -2.98053 0.2386 -0.4112 0.0002
1433
249 -2.79739 -0.2287 0.4122 0.0023
1434
250 -2.79739 0.2299 -0.4145 -0.0023
1435
251 -2.59645 -0.2538 0.4347 -0.0006
1436
252 -2.59644 0.2545 -0.4363 0.0006
1437
253 -2.17608 0.0006 0.0008 -0.5044
1438
254 -2.17608 -0.0014 0.0006 0.5044
1439
255 -2.03659 -0.0016 0.0013 0.3641
1440
256 -2.03659 0.0005 0.0005 -0.3641
1441
257 -1.92635 -0.0008 0.0006 0.6379
1442
258 -1.92635 -0.0004 0.0014 -0.6379
1443
259 -1.32853 -0.3302 0.4839 -0.0117
1444
260 -1.32853 0.3317 -0.4865 0.0117
1445
261 -1.16533 0.2957 -0.4899 0.0024
1446
262 -1.16533 -0.2947 0.4881 -0.0024
1447
263 -1.07996 -0.0024 0.0098 -0.5723
1448
264 -1.07996 0.0026 -0.0102 0.5723
1449
265 -1.00856 0.3063 -0.4917 0.0040
1450
266 -1.00856 -0.3053 0.4898 -0.0040
1451
267 -0.96021 -0.0188 -0.0070 0.4734
1452
268 -0.96021 0.0192 0.0064 -0.4734
1453
269 -0.89542 -0.0021 0.0007 -0.6834
1454
270 -0.89542 0.0019 -0.0005 0.6834
1455
271 5.79077 0.5490 -0.9501 0.0003
1456
272 5.79077 -0.5494 0.9508 -0.0003
1457
273 6.10218 0.5293 -0.9185 0.0003
1458
274 6.10218 -0.5298 0.9193 -0.0003
1459
275 6.29161 0.5737 -1.0009 -0.0087
1460
276 6.29161 -0.5743 1.0018 0.0087
1461
277 6.93488 0.7301 -1.2639 0.0006
1462
278 6.93488 -0.7291 1.2621 -0.0006
1463
279 7.01688 0.7711 -1.3273 0.0019
1464
280 7.01688 -0.7700 1.3254 -0.0019
1465
281 7.22958 0.6394 -1.1099 -0.0004
1466
282 7.22958 -0.6393 1.1098 0.0004
1467
283 7.49591 -0.6290 1.0840 -0.0042
1468
284 7.49591 0.6280 -1.0823 0.0042
1469
285 7.62586 -0.6618 1.1501 0.0045
1470
286 7.62586 0.6609 -1.1486 -0.0045
1471
287 8.17015 0.8398 -1.4539 -0.0006
1472
288 8.17016 -0.8392 1.4528 0.0006
1473
289 9.13982 0.6887 -1.1968 0.0025
1474
290 9.13984 -0.6868 1.1937 -0.0025
1475
291 9.39342 -0.0623 0.1098 -0.0005
1476
292 9.39345 0.0617 -0.1089 0.0005
1477
293 9.53547 -0.0227 0.0327 -0.1074
1478
294 9.53547 0.0227 -0.0327 0.1074
1479
295 9.68208 0.6893 -1.1908 0.0157
1480
296 9.68209 -0.6870 1.1869 -0.0157
1481
297 9.82357 -0.0074 0.0140 0.0075
1482
298 9.82357 0.0065 -0.0125 -0.0075
1483
299 10.01970 -0.0168 0.0217 -0.4861
1484
300 10.01970 0.0167 -0.0215 0.4861
1485
301 10.37770 -0.4920 0.8550 0.0012
1486
302 10.37773 0.4940 -0.8585 -0.0012
1487
303 10.51248 -0.3230 0.5527 0.0054
1488
304 10.51250 0.3226 -0.5523 -0.0054
1489
305 10.64121 0.5682 -0.9901 -0.0052
1490
306 10.64122 -0.5676 0.9890 0.0052
1491
307 11.53331 -0.5831 1.0098 -0.0006
1492
308 11.53334 0.5812 -1.0067 0.0006
1493
309 11.81249 -0.2977 0.5149 -0.0090
1494
310 11.81250 0.2983 -0.5159 0.0090
1495
311 12.14112 0.4226 -0.7320 0.0044
1496
312 12.14116 -0.4217 0.7304 -0.0044
1497
313 12.89874 -0.0285 0.0470 0.0088
1498
314 12.89875 0.0238 -0.0391 -0.0088
1499
315 13.11164 0.0047 0.0838 -0.5955
1500
316 13.11164 -0.0029 -0.0869 0.5955
1501
317 13.46324 -0.0099 0.0177 -0.0274
1502
318 13.46324 0.0094 -0.0172 0.0274
1503
319 14.20760 -0.0169 0.0244 0.2468
1504
320 14.20760 0.0168 -0.0242 -0.2468
1505
321 14.71849 0.0065 -0.0128 0.3195
1506
322 14.71849 -0.0072 0.0140 -0.3195
1507
323 14.81631 0.0557 -0.0993 -0.0017
1508
324 14.81635 -0.0547 0.0976 0.0017
1509
325 14.96785 -0.0897 0.1645 -0.0001
1510
326 14.96790 0.0888 -0.1629 0.0001
1511
327 15.05357 0.2812 -0.5219 -0.0008
1512
328 15.05359 -0.2834 0.5257 0.0007
1513
329 15.19599 0.1327 -0.3183 -0.0289
1514
330 15.19602 -0.1255 0.3070 0.0288
1515
331 15.19865 -0.0046 0.0194 0.0407
1516
332 15.19868 -0.0033 -0.0069 -0.0406
1517
333 15.31947 -0.0121 0.0208 0.0361
1518
334 15.31948 0.0126 -0.0218 -0.0361
1519
335 15.82480 0.0005 0.0010 -0.7692
1520
336 15.82480 -0.0005 -0.0009 0.7692
1521
337 16.24874 -0.4889 0.8571 0.0038
1522
338 16.24875 0.4911 -0.8611 -0.0038
1523
339 16.62884 -0.3348 0.5779 0.0027
1524
340 16.62884 0.3370 -0.5820 -0.0027
1525
341 17.18374 0.1708 -0.2922 -0.0135
1526
342 17.18374 -0.1715 0.2938 0.0136
1527
343 17.55407 -0.0041 -0.0002 0.8742
1528
344 17.55407 0.0022 0.0035 -0.8742
1529
345 17.75057 0.6321 -1.0073 0.0393
1530
346 17.75058 -0.6298 1.0031 -0.0393
1531
347 18.23478 0.0991 -0.1765 -0.1359
1532
348 18.23479 -0.0990 0.1767 0.1359
1533
349 18.53850 -0.0046 0.0053 0.8265
1534
350 18.53850 0.0040 -0.0043 -0.8265
1535
351 18.76555 -0.0003 -0.0005 -0.9480
1536
352 18.76555 0.0003 0.0006 0.9480
1537
353 19.21119 0.0071 -0.0171 0.5895
1538
354 19.21119 0.0098 -0.0122 -0.5895
1539
355 19.24866 0.0055 -0.0265 0.1652
1540
356 19.24866 -0.0235 0.0578 -0.1652
1541
357 19.44127 -0.0080 0.0187 -0.0222
1542
358 19.44127 0.0080 -0.0188 0.0222
1543
359 19.75416 -0.0009 0.0053 1.0199
1544
360 19.75416 0.0012 -0.0058 -1.0199
1545
361 20.20255 0.0010 -0.0017 -0.3710
1546
362 20.20255 -0.0008 0.0013 0.3710
1547
363 20.51025 -0.0064 0.0142 -0.9389
1548
364 20.51025 0.0066 -0.0145 0.9389
1549
365 21.07648 0.0003 -0.0019 0.7073
1550
366 21.07648 -0.0001 0.0016 -0.7073
1551
367 21.26308 0.3966 -0.6721 0.0001
1552
368 21.26309 -0.3961 0.6712 -0.0001
1553
369 21.33945 -0.3721 0.6429 0.0022
1554
370 21.33946 0.3714 -0.6417 -0.0022
1555
371 21.78861 -0.3942 0.6812 0.0000
1556
372 21.78861 0.3940 -0.6809 -0.0000
1557
373 25.90995 0.6142 -1.0626 0.0060
1558
374 25.90995 -0.6141 1.0624 -0.0060
1559
375 27.95818 -0.5861 1.0035 0.0027
1560
376 27.95818 0.5858 -1.0031 -0.0027
1561
377 31.13796 0.5796 -1.0051 -0.0008
1562
378 31.13796 -0.5799 1.0055 0.0008
1563
379 39.40581 -0.3492 0.6046 -0.0002
1564
380 39.40581 0.3491 -0.6042 0.0002
1565
381 42.22538 0.4271 -0.7320 0.0073
1566
382 42.22538 -0.4272 0.7321 -0.0073
1567
383 46.54510 -0.4505 0.7795 -0.0016
1568
384 46.54510 0.4506 -0.7796 0.0016
1569
385 50.27645 0.4357 -0.7544 0.0008
1570
386 50.27645 -0.4357 0.7544 -0.0008
1571
387 52.16722 0.4080 -0.7045 -0.0011
1572
388 52.16722 -0.4080 0.7045 0.0011
1573
389 53.96639 0.3908 -0.6769 0.0027
1574
390 53.96639 -0.3908 0.6769 -0.0027
1575
1576
k-point 5 ( 0.003693 0.003099 0.000000 ) (Bohr^-1)
1577
ie e(eV) Sx Sy Sz
1578
1 -51.72595 -0.0668 -0.3858 0.0687
1579
2 -51.72595 0.0669 0.3857 -0.0687
1580
3 -51.67056 -0.2497 0.2760 -0.0290
1581
4 -51.67053 0.2469 -0.2746 0.0300
1582
5 -51.66991 0.2544 -0.3080 -0.0115
1583
6 -51.66985 -0.2543 0.3082 0.0114
1584
7 -51.66906 0.2133 -0.1121 -0.0834
1585
8 -51.66888 -0.2297 0.1208 0.1056
1586
9 -51.66713 -0.0387 0.0232 -0.2693
1587
10 -51.66702 0.0573 -0.0326 0.2485
1588
11 -51.66347 -0.1893 0.2733 -0.0067
1589
12 -51.66337 0.1887 -0.2728 0.0050
1590
13 -51.65083 -0.0414 0.0314 -0.4312
1591
14 -51.65080 0.0437 -0.0340 0.4304
1592
15 -51.62123 0.0279 -0.0174 0.3795
1593
16 -51.62122 -0.0290 0.0188 -0.3792
1594
17 -51.61745 -0.0166 0.2021 0.0816
1595
18 -51.61731 0.0161 -0.2035 -0.0786
1596
19 -51.61431 -0.3545 0.2495 -0.0995
1597
20 -51.61414 0.3591 -0.2521 0.0954
1598
21 -51.61141 -0.2764 0.0001 0.1197
1599
22 -51.61138 0.2811 -0.0043 -0.1215
1600
23 -51.60396 0.0248 -0.0141 0.3030
1601
24 -51.60393 -0.0300 0.0189 -0.3012
1602
25 -51.60082 0.0282 -0.0167 0.3409
1603
26 -51.60079 -0.0327 0.0214 -0.3399
1604
27 -51.58233 -0.0484 0.0348 -0.1203
1605
28 -51.58232 0.0494 -0.0359 0.1203
1606
29 -51.26116 -0.2128 0.1546 0.0364
1607
30 -51.26100 0.2224 -0.1640 -0.0423
1608
31 -51.25337 0.0739 -0.0631 0.4344
1609
32 -51.25327 -0.0834 0.0724 -0.4286
1610
33 -51.25218 0.2488 -0.2711 -0.0278
1611
34 -51.25208 -0.2514 0.2740 0.0282
1612
35 -51.22184 -0.0305 0.0191 -0.3924
1613
36 -51.22182 0.0330 -0.0219 0.3920
1614
37 -50.84149 -0.2164 0.4761 0.0092
1615
38 -50.84149 0.2164 -0.4761 -0.0092
1616
39 -50.80217 -0.1498 0.1021 0.2398
1617
40 -50.80215 0.1491 -0.1013 -0.2401
1618
41 -50.78400 0.1062 -0.4802 -0.0630
1619
42 -50.78393 -0.0905 0.4701 0.0762
1620
43 -50.78354 -0.1188 0.4782 0.0558
1621
44 -50.78347 0.0875 -0.4620 -0.0880
1622
45 -50.78294 -0.0268 -0.0015 0.3653
1623
46 -50.78292 0.0439 -0.0064 -0.3448
1624
47 -50.77955 -0.0590 -0.0328 -0.1660
1625
48 -50.77944 0.0659 0.0320 0.1646
1626
49 -50.76956 -0.6097 0.4217 0.1027
1627
50 -50.76935 0.6091 -0.4309 -0.0956
1628
51 -50.76475 0.1554 -0.0798 -0.2343
1629
52 -50.76460 -0.1607 0.0874 0.2282
1630
53 -50.75072 0.4155 -0.3041 -0.0323
1631
54 -50.75052 -0.4191 0.3021 0.0255
1632
55 -50.74879 -0.0282 0.0155 0.4752
1633
56 -50.74875 0.0071 -0.0034 -0.4889
1634
57 -50.74856 -0.1088 0.0727 -0.2185
1635
58 -50.74850 0.1420 -0.0886 0.2309
1636
59 -50.74818 -0.2327 0.1609 0.0651
1637
60 -50.74813 0.2202 -0.1489 -0.0584
1638
61 -50.73809 -0.0143 -0.0511 -0.4469
1639
62 -50.73808 0.0149 0.0498 0.4461
1640
63 -50.73672 0.0595 -0.1131 -0.1392
1641
64 -50.73667 -0.0582 0.1124 0.1421
1642
65 -50.71705 0.1999 -0.1316 0.3443
1643
66 -50.71697 -0.2022 0.1316 -0.3503
1644
67 -50.71108 -0.4348 0.3530 -0.1647
1645
68 -50.71101 0.4350 -0.3509 0.1683
1646
69 -50.70752 -0.0512 0.0618 0.3902
1647
70 -50.70748 0.0528 -0.0638 -0.3900
1648
71 -50.69744 0.0031 -0.0586 -0.8295
1649
72 -50.69740 -0.0052 0.0619 0.8322
1650
73 -50.69359 -0.0618 0.0870 0.3357
1651
74 -50.69353 0.0646 -0.0907 -0.3346
1652
75 -50.69157 0.3396 -0.3335 0.2250
1653
76 -50.69153 -0.3391 0.3321 -0.2276
1654
77 -50.67064 0.0379 -0.0671 -0.5175
1655
78 -50.67063 -0.0384 0.0677 0.5173
1656
79 -50.37978 0.2680 -0.3924 -0.0164
1657
80 -50.37966 -0.2684 0.3936 0.0163
1658
81 -50.36792 -0.0761 0.1233 -0.0440
1659
82 -50.36782 0.0701 -0.1173 0.0450
1660
83 -50.36315 -0.2006 0.3501 0.0565
1661
84 -50.36303 0.2005 -0.3512 -0.0576
1662
85 -50.34546 0.3243 -0.2013 0.0465
1663
86 -50.34532 -0.3190 0.1952 -0.0443
1664
87 -50.34024 0.0032 0.1023 -0.1348
1665
88 -50.34013 0.0032 -0.1094 0.1339
1666
89 -50.32250 0.1377 -0.1540 -0.1587
1667
90 -50.32235 -0.1428 0.1610 0.1576
1668
91 -29.08020 -0.0009 0.0004 0.4171
1669
92 -29.08020 0.0008 -0.0004 -0.4171
1670
93 -29.07569 0.0019 -0.0017 -0.1042
1671
94 -29.07569 -0.0007 0.0003 0.1042
1672
95 -29.07495 -0.0019 0.0017 0.0244
1673
96 -29.07495 0.0007 -0.0003 -0.0245
1674
97 -29.06417 0.0015 0.0016 0.1712
1675
98 -29.06417 -0.0013 -0.0017 -0.1712
1676
99 -29.05159 0.2564 -0.3092 -0.0001
1677
100 -29.05159 -0.2565 0.3093 0.0001
1678
101 -29.04910 -0.2565 0.3074 -0.0009
1679
102 -29.04909 0.2565 -0.3074 0.0009
1680
103 -29.04705 -0.2526 0.3094 0.0003
1681
104 -29.04705 0.2526 -0.3095 -0.0003
1682
105 -29.03333 0.2537 -0.3065 -0.0003
1683
106 -29.03333 -0.2537 0.3066 0.0003
1684
107 -29.02457 -0.0047 0.0056 0.1625
1685
108 -29.02457 -0.0011 0.0013 -0.1624
1686
109 -29.02455 0.0044 -0.0052 -0.1621
1687
110 -29.02455 0.0015 -0.0018 0.1621
1688
111 -29.00455 0.2497 -0.3027 -0.0004
1689
112 -29.00454 -0.2497 0.3027 0.0004
1690
113 -29.00425 -0.2569 0.3112 0.0004
1691
114 -29.00424 0.2569 -0.3112 -0.0004
1692
115 -26.15001 -0.0668 0.0913 0.0043
1693
116 -26.15001 0.0668 -0.0913 -0.0043
1694
117 -26.13654 -0.0845 0.0781 -0.0325
1695
118 -26.13654 0.0841 -0.0777 0.0325
1696
119 -26.13444 0.0792 -0.0795 0.0144
1697
120 -26.13444 -0.0788 0.0790 -0.0144
1698
121 -26.10100 -0.0457 0.0193 -0.0200
1699
122 -26.10100 0.0454 -0.0190 0.0200
1700
123 -26.08895 -0.0230 0.0016 0.4789
1701
124 -26.08895 0.0233 -0.0020 -0.4789
1702
125 -26.08453 0.0162 -0.0169 -0.5576
1703
126 -26.08453 -0.0158 0.0164 0.5577
1704
127 -26.08420 -0.0166 0.0143 0.5368
1705
128 -26.08420 0.0150 -0.0125 -0.5371
1706
129 -26.08233 0.1600 -0.0877 -0.0697
1707
130 -26.08232 -0.1588 0.0864 0.0699
1708
131 -26.07528 -0.2410 0.3111 -0.0129
1709
132 -26.07528 0.2413 -0.3115 0.0129
1710
133 -26.07090 0.2278 -0.3155 0.0249
1711
134 -26.07089 -0.2283 0.3161 -0.0249
1712
135 -26.06389 -0.0953 0.1189 0.1595
1713
136 -26.06388 0.0970 -0.1203 -0.1627
1714
137 -26.06365 0.0651 -0.0958 -0.1752
1715
138 -26.06364 -0.0653 0.0956 0.1770
1716
139 -26.06319 0.0372 -0.0525 0.2628
1717
140 -26.06319 -0.0388 0.0543 -0.2614
1718
141 -26.04947 -0.3344 0.4208 0.0007
1719
142 -26.04947 0.3344 -0.4208 -0.0007
1720
143 -26.03387 -0.0205 0.0154 0.4088
1721
144 -26.03387 0.0173 -0.0119 -0.4089
1722
145 -26.03372 0.0180 -0.0127 -0.4106
1723
146 -26.03372 -0.0147 0.0090 0.4107
1724
147 -26.02147 0.2923 -0.3830 -0.0030
1725
148 -26.02147 -0.2925 0.3830 0.0030
1726
149 -26.02092 -0.3222 0.4169 0.0024
1727
150 -26.02091 0.3223 -0.4169 -0.0024
1728
151 -18.92799 0.6370 -0.7650 -0.0949
1729
152 -18.92799 -0.6370 0.7650 0.0949
1730
153 -18.85206 0.6427 -0.7661 -0.0020
1731
154 -18.85206 -0.6427 0.7661 0.0020
1732
155 -18.83205 -0.6428 0.7660 -0.0022
1733
156 -18.83205 0.6428 -0.7660 0.0022
1734
157 -18.27504 0.6425 -0.7662 -0.0002
1735
158 -18.27504 -0.6425 0.7662 0.0002
1736
159 -18.05890 0.6427 -0.7660 -0.0006
1737
160 -18.05890 -0.6427 0.7660 0.0006
1738
161 -17.86099 0.6429 -0.7659 -0.0027
1739
162 -17.86099 -0.6429 0.7659 0.0027
1740
163 -17.44162 0.6426 -0.7659 -0.0004
1741
164 -17.44162 -0.6426 0.7659 0.0004
1742
165 -17.19000 0.6428 -0.7658 -0.0012
1743
166 -17.19000 -0.6428 0.7658 0.0012
1744
167 -17.07076 0.6424 -0.7661 -0.0008
1745
168 -17.07076 -0.6424 0.7661 0.0008
1746
169 -14.82705 0.6421 -0.7665 0.0015
1747
170 -14.82705 -0.6421 0.7665 -0.0015
1748
171 -14.58359 -0.6408 0.7675 0.0029
1749
172 -14.58359 0.6408 -0.7675 -0.0029
1750
173 -14.39232 -0.6425 0.7660 0.0002
1751
174 -14.39232 0.6425 -0.7660 -0.0002
1752
175 -13.40698 0.6451 -0.7640 -0.0033
1753
176 -13.40698 -0.6451 0.7640 0.0033
1754
177 -13.20775 -0.6444 0.7646 0.0000
1755
178 -13.20775 0.6444 -0.7646 -0.0000
1756
179 -13.09397 -0.6426 0.7662 -0.0017
1757
180 -13.09397 0.6426 -0.7662 0.0017
1758
181 -7.66516 0.6436 -0.5933 -0.1069
1759
182 -7.66516 -0.6436 0.5933 0.1069
1760
183 -7.45082 0.5450 -0.6138 -0.0142
1761
184 -7.45082 -0.5450 0.6138 0.0142
1762
185 -7.25767 0.3944 -0.4702 0.0001
1763
186 -7.25767 -0.3944 0.4702 -0.0001
1764
187 -6.88535 0.3097 -0.4046 0.0014
1765
188 -6.88535 -0.3097 0.4046 -0.0014
1766
189 -6.84311 0.1164 -0.1459 0.0033
1767
190 -6.84311 -0.1164 0.1459 -0.0033
1768
191 -6.62526 -0.2682 0.3209 -0.0011
1769
192 -6.62523 0.2682 -0.3209 0.0011
1770
193 -6.59187 0.2148 -0.2575 0.0030
1771
194 -6.59184 -0.2148 0.2575 -0.0030
1772
195 -6.45858 -0.2244 0.1963 -0.0372
1773
196 -6.45858 0.2336 -0.2542 0.0683
1774
197 -6.45453 0.0233 -0.0777 0.1445
1775
198 -6.45453 -0.0250 0.0798 -0.1451
1776
199 -6.39881 -0.0040 0.0029 -0.0499
1777
200 -6.39880 0.0004 0.0015 0.0499
1778
201 -6.39543 0.0113 -0.0291 0.0087
1779
202 -6.39542 -0.0117 0.0295 -0.0086
1780
203 -6.27942 -0.1997 0.2416 0.0017
1781
204 -6.27941 0.2035 -0.2457 -0.0017
1782
205 -6.23465 0.1903 -0.2304 0.0011
1783
206 -6.23465 -0.1856 0.2252 -0.0011
1784
207 -6.06768 0.2224 -0.2553 -0.0050
1785
208 -6.06767 -0.2251 0.2586 0.0050
1786
209 -5.98899 -0.1907 0.2226 0.0453
1787
210 -5.98899 0.1887 -0.2204 -0.0453
1788
211 -5.95365 0.0078 0.0103 -0.5883
1789
212 -5.95365 -0.0089 -0.0091 0.5883
1790
213 -5.89538 -0.0038 -0.0000 -0.6224
1791
214 -5.89538 0.0043 -0.0005 0.6224
1792
215 -5.78436 -0.1060 0.1287 0.0072
1793
216 -5.78436 0.1060 -0.1288 -0.0072
1794
217 -5.68804 0.0542 -0.0629 0.0003
1795
218 -5.68804 -0.0538 0.0622 -0.0003
1796
219 -5.42691 -0.5314 0.6370 0.0101
1797
220 -5.42687 0.5147 -0.6171 -0.0096
1798
221 -5.40439 0.0715 -0.0875 -0.0332
1799
222 -5.40436 -0.0575 0.0705 0.0326
1800
223 -5.36653 0.2828 -0.3059 -0.0474
1801
224 -5.36652 -0.2789 0.3013 0.0474
1802
225 -5.34620 0.0657 -0.0668 0.0675
1803
226 -5.34620 -0.0665 0.0678 -0.0673
1804
227 -5.28001 -0.0023 0.0002 0.6145
1805
228 -5.28001 0.0020 0.0002 -0.6145
1806
229 -5.25001 0.0029 0.0007 0.6796
1807
230 -5.25001 -0.0027 -0.0009 -0.6796
1808
231 -5.01420 0.4458 -0.4919 -0.0100
1809
232 -5.01420 -0.4464 0.4924 0.0100
1810
233 -4.82865 0.3771 -0.4535 0.0007
1811
234 -4.82864 -0.3648 0.4388 -0.0007
1812
235 -4.77471 -0.3840 0.4525 0.0013
1813
236 -4.77470 0.3705 -0.4364 -0.0013
1814
237 -4.38161 -0.4397 0.5219 0.0019
1815
238 -4.38160 0.4378 -0.5196 -0.0019
1816
239 -4.24213 -0.2993 0.3553 0.0009
1817
240 -4.24213 0.2982 -0.3537 -0.0009
1818
241 -3.99106 0.1993 -0.2385 -0.0008
1819
242 -3.99106 -0.2006 0.2401 0.0008
1820
243 -3.84188 0.1824 -0.2215 -0.0055
1821
244 -3.84188 -0.1840 0.2237 0.0055
1822
245 -3.75712 -0.1804 0.2154 0.0032
1823
246 -3.75712 0.1776 -0.2115 -0.0032
1824
247 -2.98053 -0.3037 0.3606 0.0002
1825
248 -2.98053 0.3061 -0.3637 -0.0003
1826
249 -2.79739 -0.2984 0.3649 0.0029
1827
250 -2.79739 0.3000 -0.3670 -0.0029
1828
251 -2.59645 -0.3250 0.3844 -0.0005
1829
252 -2.59644 0.3259 -0.3859 0.0005
1830
253 -2.17608 0.0004 0.0006 -0.5186
1831
254 -2.17608 -0.0014 0.0007 0.5186
1832
255 -2.03659 -0.0016 0.0013 0.3898
1833
256 -2.03659 0.0003 0.0003 -0.3898
1834
257 -1.92635 -0.0011 0.0005 0.5835
1835
258 -1.92635 -0.0004 0.0012 -0.5835
1836
259 -1.32853 -0.4002 0.4283 -0.0070
1837
260 -1.32853 0.4021 -0.4306 0.0070
1838
261 -1.16533 0.3740 -0.4330 -0.0052
1839
262 -1.16533 -0.3728 0.4314 0.0052
1840
263 -1.07996 -0.0038 0.0099 -0.2773
1841
264 -1.07996 0.0041 -0.0102 0.2773
1842
265 -1.00856 0.3829 -0.4344 -0.0061
1843
266 -1.00856 -0.3817 0.4328 0.0062
1844
267 -0.96021 -0.0194 -0.0020 0.3817
1845
268 -0.96021 0.0198 0.0014 -0.3817
1846
269 -0.89542 -0.0023 0.0005 -0.5584
1847
270 -0.89542 0.0021 -0.0003 0.5584
1848
271 5.79077 0.7056 -0.8404 0.0001
1849
272 5.79077 -0.7061 0.8410 -0.0001
1850
273 6.10218 0.6810 -0.8125 0.0001
1851
274 6.10218 -0.6816 0.8132 -0.0001
1852
275 6.29161 0.7394 -0.8855 -0.0082
1853
276 6.29161 -0.7402 0.8863 0.0082
1854
277 6.93488 0.9385 -1.1179 -0.0050
1855
278 6.93488 -0.9371 1.1163 0.0050
1856
279 7.01688 0.9891 -1.1739 -0.0012
1857
280 7.01688 -0.9877 1.1722 0.0012
1858
281 7.22958 0.8226 -0.9819 0.0000
1859
282 7.22958 -0.8225 0.9817 -0.0000
1860
283 7.49591 -0.8072 0.9588 -0.0004
1861
284 7.49591 0.8059 -0.9573 0.0004
1862
285 7.62586 -0.8518 1.0173 0.0113
1863
286 7.62586 0.8507 -1.0160 -0.0113
1864
287 8.17015 1.0795 -1.2861 0.0053
1865
288 8.17016 -1.0786 1.2851 -0.0053
1866
289 9.13982 0.8862 -1.0586 -0.0268
1867
290 9.13984 -0.8838 1.0558 0.0268
1868
291 9.39342 -0.0816 0.0966 0.0456
1869
292 9.39344 0.0808 -0.0959 -0.0455
1870
293 9.53547 -0.0311 0.0037 -1.0814
1871
294 9.53547 0.0312 -0.0038 1.0813
1872
295 9.68208 0.8846 -1.0514 -0.0739
1873
296 9.68209 -0.8817 1.0479 0.0739
1874
297 9.82357 -0.0100 0.0122 -0.0296
1875
298 9.82357 0.0088 -0.0108 0.0296
1876
299 10.01970 0.0054 0.0095 1.0497
1877
300 10.01970 -0.0056 -0.0093 -1.0496
1878
301 10.37769 -0.6342 0.7558 0.0073
1879
302 10.37771 0.6367 -0.7589 -0.0073
1880
303 10.51251 -0.4059 0.4876 -0.1379
1881
304 10.51253 0.4055 -0.4872 0.1376
1882
305 10.64119 0.7299 -0.8703 0.1170
1883
306 10.64121 -0.7290 0.8693 -0.1167
1884
307 11.53331 -0.7496 0.8930 -0.0255
1885
308 11.53334 0.7471 -0.8903 0.0254
1886
309 11.81248 -0.3817 0.4546 -0.0641
1887
310 11.81249 0.3825 -0.4555 0.0641
1888
311 12.14113 0.5434 -0.6472 0.0378
1889
312 12.14117 -0.5422 0.6457 -0.0376
1890
313 12.89873 -0.0333 0.0418 -0.0002
1891
314 12.89875 0.0272 -0.0348 0.0001
1892
315 13.11164 0.0358 0.0879 0.2312
1893
316 13.11164 -0.0335 -0.0906 -0.2311
1894
317 13.46324 -0.0129 0.0156 -0.0335
1895
318 13.46324 0.0123 -0.0152 0.0335
1896
319 14.20760 -0.0211 0.0205 0.2768
1897
320 14.20760 0.0209 -0.0203 -0.2767
1898
321 14.71849 0.0073 -0.0120 0.2924
1899
322 14.71849 -0.0083 0.0131 -0.2924
1900
323 14.81631 0.0721 -0.0875 0.0062
1901
324 14.81635 -0.0709 0.0860 -0.0062
1902
325 14.96785 -0.1174 0.1452 0.0370
1903
326 14.96790 0.1163 -0.1438 -0.0371
1904
327 15.05356 0.3680 -0.4601 -0.0404
1905
328 15.05358 -0.3709 0.4635 0.0403
1906
329 15.19600 0.1806 -0.2877 0.3469
1907
330 15.19603 -0.1714 0.2776 -0.3468
1908
331 15.19864 -0.0072 0.0173 -0.3481
1909
332 15.19867 -0.0029 -0.0061 0.3481
1910
333 15.31947 -0.0156 0.0183 0.0834
1911
334 15.31948 0.0163 -0.0192 -0.0834
1912
335 15.82480 0.0033 0.0008 -0.6644
1913
336 15.82480 -0.0034 -0.0008 0.6644
1914
337 16.24874 -0.6314 0.7583 0.0045
1915
338 16.24875 0.6342 -0.7618 -0.0046
1916
339 16.62884 -0.4299 0.5112 -0.0013
1917
340 16.62884 0.4327 -0.5148 0.0013
1918
341 17.18374 0.2187 -0.2583 -0.0111
1919
342 17.18374 -0.2197 0.2597 0.0111
1920
343 17.55407 -0.0057 0.0004 0.8593
1921
344 17.55407 0.0033 0.0025 -0.8593
1922
345 17.75057 0.7889 -0.8902 0.0329
1923
346 17.75058 -0.7859 0.8865 -0.0328
1924
347 18.23478 0.1284 -0.1563 -0.1260
1925
348 18.23479 -0.1283 0.1565 0.1260
1926
349 18.53850 -0.0035 0.0050 0.8237
1927
350 18.53850 0.0028 -0.0041 -0.8237
1928
351 18.76555 -0.0007 -0.0001 -0.9482
1929
352 18.76555 0.0006 0.0002 0.9482
1930
353 19.21118 0.0089 -0.0147 0.6973
1931
354 19.21119 0.0129 -0.0112 -0.6972
1932
355 19.24866 0.0111 -0.0240 0.1252
1933
356 19.24866 -0.0342 0.0518 -0.1253
1934
357 19.44127 -0.0108 0.0162 0.0031
1935
358 19.44127 0.0109 -0.0162 -0.0031
1936
359 19.75416 0.0024 0.0047 1.0452
1937
360 19.75416 -0.0020 -0.0051 -1.0452
1938
361 20.20255 -0.0003 -0.0011 0.5421
1939
362 20.20255 0.0007 0.0007 -0.5420
1940
363 20.51025 -0.0080 0.0111 -1.0614
1941
364 20.51025 0.0083 -0.0113 1.0614
1942
365 21.07647 -0.0036 -0.0021 0.6200
1943
366 21.07647 0.0038 0.0019 -0.6200
1944
367 21.26308 0.5059 -0.5942 0.0116
1945
368 21.26309 -0.5053 0.5934 -0.0116
1946
369 21.33945 -0.4780 0.5686 -0.0032
1947
370 21.33946 0.4771 -0.5676 0.0032
1948
371 21.78861 -0.5063 0.6025 -0.0001
1949
372 21.78861 0.5061 -0.6023 0.0001
1950
373 25.90995 0.7893 -0.9399 0.0041
1951
374 25.90995 -0.7891 0.9397 -0.0041
1952
375 27.95818 -0.7503 0.8874 0.0037
1953
376 27.95818 0.7500 -0.8871 -0.0037
1954
377 31.13796 0.7455 -0.8891 -0.0003
1955
378 31.13796 -0.7458 0.8895 0.0003
1956
379 39.40581 -0.4489 0.5347 -0.0003
1957
380 39.40581 0.4487 -0.5345 0.0003
1958
381 42.22538 0.5470 -0.6474 0.0066
1959
382 42.22538 -0.5470 0.6474 -0.0066
1960
383 46.54510 -0.5789 0.6895 -0.0027
1961
384 46.54510 0.5790 -0.6896 0.0027
1962
385 50.27645 0.5600 -0.6673 0.0046
1963
386 50.27645 -0.5601 0.6673 -0.0046
1964
387 52.16722 0.5240 -0.6231 0.0010
1965
388 52.16722 -0.5240 0.6232 -0.0010
1966
389 53.96639 0.5023 -0.5986 0.0170
1967
390 53.96639 -0.5023 0.5986 -0.0170
1968
1969
k-point 6 ( 0.003099 0.003693 0.000000 ) (Bohr^-1)
1970
ie e(eV) Sx Sy Sz
1971
1 -51.72595 0.0397 -0.3160 0.0980
1972
2 -51.72595 -0.0396 0.3159 -0.0980
1973
3 -51.67056 -0.2864 0.2308 -0.0299
1974
4 -51.67053 0.2835 -0.2293 0.0309
1975
5 -51.66991 0.3021 -0.2556 -0.0119
1976
6 -51.66985 -0.3021 0.2558 0.0118
1977
7 -51.66906 0.2107 -0.1164 -0.0827
1978
8 -51.66888 -0.2277 0.1257 0.1058
1979
9 -51.66714 -0.0395 0.0232 -0.2748
1980
10 -51.66702 0.0587 -0.0336 0.2531
1981
11 -51.66347 -0.2383 0.2214 -0.0068
1982
12 -51.66337 0.2376 -0.2210 0.0050
1983
13 -51.65083 -0.0440 0.0290 -0.4341
1984
14 -51.65080 0.0466 -0.0312 0.4333
1985
15 -51.62123 0.0287 -0.0172 0.3774
1986
16 -51.62122 -0.0301 0.0183 -0.3771
1987
17 -51.61745 -0.0619 0.1326 0.0847
1988
18 -51.61731 0.0617 -0.1334 -0.0816
1989
19 -51.61431 -0.3786 0.2411 -0.1032
1990
20 -51.61414 0.3833 -0.2438 0.0989
1991
21 -51.61141 -0.2524 0.0647 0.1250
1992
22 -51.61138 0.2577 -0.0685 -0.1270
1993
23 -51.60396 0.0263 -0.0151 0.3263
1994
24 -51.60393 -0.0322 0.0194 -0.3244
1995
25 -51.60083 0.0290 -0.0169 0.3459
1996
26 -51.60079 -0.0342 0.0210 -0.3449
1997
27 -51.58233 -0.0513 0.0330 -0.1204
1998
28 -51.58232 0.0525 -0.0340 0.1204
1999
29 -51.26116 -0.2199 0.1423 0.0363
2000
30 -51.26099 0.2308 -0.1506 -0.0425
2001
31 -51.25337 0.0803 -0.0564 0.4425
2002
32 -51.25327 -0.0911 0.0646 -0.4363
2003
33 -51.25218 0.2839 -0.2271 -0.0286
2004
34 -51.25208 -0.2869 0.2296 0.0289
2005
35 -51.22185 -0.0314 0.0188 -0.3925
2006
36 -51.22182 0.0343 -0.0212 0.3921
2007
37 -50.84149 -0.3224 0.3722 0.0104
2008
38 -50.84149 0.3224 -0.3722 -0.0104
2009
39 -50.80217 -0.1603 0.1005 0.2510
2010
40 -50.80215 0.1595 -0.0998 -0.2513
2011
41 -50.78400 0.2282 -0.3644 -0.0732
2012
42 -50.78393 -0.2113 0.3542 0.0872
2013
43 -50.78354 -0.2390 0.3643 0.0649
2014
44 -50.78347 0.2066 -0.3465 -0.0989
2015
45 -50.78294 -0.0226 0.0047 0.3691
2016
46 -50.78292 0.0401 -0.0139 -0.3475
2017
47 -50.77955 -0.0445 -0.0071 -0.1678
2018
48 -50.77943 0.0509 0.0050 0.1664
2019
49 -50.76957 -0.6341 0.4003 0.1044
2020
50 -50.76935 0.6357 -0.4060 -0.0970
2021
51 -50.76475 0.1531 -0.0836 -0.2350
2022
52 -50.76460 -0.1597 0.0897 0.2285
2023
53 -50.75073 0.4354 -0.2829 -0.0330
2024
54 -50.75052 -0.4383 0.2825 0.0259
2025
55 -50.74879 -0.0288 0.0162 0.4750
2026
56 -50.74875 0.0066 -0.0034 -0.4895
2027
57 -50.74856 -0.1129 0.0702 -0.2276
2028
58 -50.74850 0.1462 -0.0878 0.2405
2029
59 -50.74817 -0.2576 0.1628 0.0682
2030
60 -50.74814 0.2441 -0.1525 -0.0612
2031
61 -50.73809 -0.0010 -0.0304 -0.4806
2032
62 -50.73808 0.0018 0.0295 0.4797
2033
63 -50.73672 0.0786 -0.0842 -0.1422
2034
64 -50.73667 -0.0772 0.0835 0.1452
2035
65 -50.71705 0.2042 -0.1258 0.3458
2036
66 -50.71696 -0.2063 0.1264 -0.3521
2037
67 -50.71108 -0.4659 0.3193 -0.1678
2038
68 -50.71101 0.4656 -0.3180 0.1716
2039
69 -50.70752 -0.0606 0.0511 0.4110
2040
70 -50.70748 0.0625 -0.0528 -0.4108
2041
71 -50.69744 0.0172 -0.0396 -0.8982
2042
72 -50.69740 -0.0199 0.0422 0.9011
2043
73 -50.69359 -0.0776 0.0711 0.3599
2044
74 -50.69353 0.0810 -0.0742 -0.3588
2045
75 -50.69157 0.3765 -0.2850 0.2283
2046
76 -50.69153 -0.3758 0.2840 -0.2310
2047
77 -50.67064 0.0512 -0.0528 -0.5578
2048
78 -50.67063 -0.0517 0.0533 0.5576
2049
79 -50.37978 0.3341 -0.3127 -0.0171
2050
80 -50.37966 -0.3348 0.3136 0.0170
2051
81 -50.36792 -0.1041 0.1029 -0.0462
2052
82 -50.36783 0.0972 -0.0976 0.0472
2053
83 -50.36315 -0.2602 0.2670 0.0582
2054
84 -50.36303 0.2603 -0.2676 -0.0593
2055
85 -50.34546 0.3397 -0.2032 0.0483
2056
86 -50.34532 -0.3334 0.1980 -0.0461
2057
87 -50.34024 -0.0211 0.0653 -0.1420
2058
88 -50.34013 0.0287 -0.0714 0.1410
2059
89 -50.32250 0.1593 -0.1292 -0.1657
2060
90 -50.32235 -0.1656 0.1349 0.1645
2061
91 -29.08020 -0.0008 0.0003 0.4619
2062
92 -29.08020 0.0007 -0.0003 -0.4619
2063
93 -29.07569 0.0021 -0.0015 -0.1077
2064
94 -29.07569 -0.0007 0.0003 0.1078
2065
95 -29.07495 -0.0021 0.0015 0.0261
2066
96 -29.07495 0.0006 -0.0003 -0.0261
2067
97 -29.06417 0.0012 0.0018 0.2168
2068
98 -29.06417 -0.0011 -0.0020 -0.2168
2069
99 -29.05159 0.3065 -0.2592 -0.0001
2070
100 -29.05159 -0.3066 0.2593 0.0001
2071
101 -29.04910 -0.3061 0.2576 -0.0010
2072
102 -29.04909 0.3061 -0.2576 0.0010
2073
103 -29.04705 -0.3043 0.2584 0.0008
2074
104 -29.04705 0.3043 -0.2584 -0.0008
2075
105 -29.03333 0.3037 -0.2567 -0.0004
2076
106 -29.03333 -0.3038 0.2567 0.0004
2077
107 -29.02457 -0.0057 0.0047 0.1570
2078
108 -29.02457 -0.0013 0.0011 -0.1570
2079
109 -29.02455 0.0053 -0.0044 -0.1567
2080
110 -29.02455 0.0018 -0.0015 0.1567
2081
111 -29.00455 0.2992 -0.2533 -0.0005
2082
112 -29.00454 -0.2992 0.2533 0.0005
2083
113 -29.00425 -0.3078 0.2605 0.0005
2084
114 -29.00424 0.3078 -0.2605 -0.0005
2085
115 -26.15001 -0.0843 0.0760 0.0012
2086
116 -26.15001 0.0843 -0.0760 -0.0012
2087
117 -26.13654 -0.0930 0.0682 -0.0192
2088
118 -26.13654 0.0925 -0.0678 0.0192
2089
119 -26.13444 0.0893 -0.0684 0.0062
2090
120 -26.13444 -0.0887 0.0680 -0.0062
2091
121 -26.10100 -0.0444 0.0227 -0.0092
2092
122 -26.10100 0.0441 -0.0224 0.0092
2093
123 -26.08895 -0.0220 0.0063 0.5083
2094
124 -26.08895 0.0224 -0.0066 -0.5084
2095
125 -26.08453 0.0184 -0.0147 -0.5737
2096
126 -26.08453 -0.0179 0.0142 0.5738
2097
127 -26.08420 -0.0177 0.0124 0.5346
2098
128 -26.08420 0.0159 -0.0109 -0.5349
2099
129 -26.08233 0.1586 -0.0891 -0.0699
2100
130 -26.08232 -0.1572 0.0880 0.0701
2101
131 -26.07528 -0.2932 0.2569 -0.0135
2102
132 -26.07528 0.2936 -0.2572 0.0135
2103
133 -26.07090 0.2857 -0.2596 0.0266
2104
134 -26.07089 -0.2862 0.2600 -0.0266
2105
135 -26.06389 -0.1162 0.1001 0.1678
2106
136 -26.06388 0.1182 -0.1014 -0.1718
2107
137 -26.06365 0.0816 -0.0773 -0.1568
2108
138 -26.06364 -0.0818 0.0772 0.1585
2109
139 -26.06319 0.0426 -0.0409 0.3086
2110
140 -26.06319 -0.0446 0.0425 -0.3062
2111
141 -26.04947 -0.4042 0.3496 0.0007
2112
142 -26.04947 0.4042 -0.3496 -0.0007
2113
143 -26.03387 -0.0219 0.0144 0.4117
2114
144 -26.03387 0.0182 -0.0114 -0.4118
2115
145 -26.03372 0.0189 -0.0119 -0.4138
2116
146 -26.03372 -0.0150 0.0088 0.4139
2117
147 -26.02147 0.3584 -0.3163 -0.0031
2118
148 -26.02146 -0.3586 0.3164 0.0031
2119
149 -26.02092 -0.3936 0.3451 0.0025
2120
150 -26.02091 0.3937 -0.3451 -0.0025
2121
151 -18.92799 0.7609 -0.6415 -0.0976
2122
152 -18.92799 -0.7609 0.6415 0.0976
2123
153 -18.85206 0.7660 -0.6428 -0.0014
2124
154 -18.85206 -0.7660 0.6428 0.0014
2125
155 -18.83205 -0.7661 0.6427 -0.0028
2126
156 -18.83205 0.7661 -0.6427 0.0028
2127
157 -18.27504 0.7659 -0.6429 -0.0003
2128
158 -18.27504 -0.7659 0.6429 0.0003
2129
159 -18.05890 0.7659 -0.6428 -0.0007
2130
160 -18.05890 -0.7659 0.6428 0.0007
2131
161 -17.86099 0.7660 -0.6427 -0.0030
2132
162 -17.86099 -0.7660 0.6427 0.0030
2133
163 -17.44162 0.7659 -0.6427 -0.0004
2134
164 -17.44162 -0.7659 0.6427 0.0004
2135
165 -17.19000 0.7660 -0.6426 -0.0013
2136
166 -17.19000 -0.7660 0.6426 0.0013
2137
167 -17.07076 0.7658 -0.6428 -0.0008
2138
168 -17.07076 -0.7658 0.6428 0.0008
2139
169 -14.82705 0.7656 -0.6431 0.0017
2140
170 -14.82705 -0.7656 0.6431 -0.0017
2141
171 -14.58359 -0.7655 0.6432 0.0033
2142
172 -14.58359 0.7655 -0.6432 -0.0033
2143
173 -14.39232 -0.7659 0.6427 0.0003
2144
174 -14.39232 0.7659 -0.6427 -0.0003
2145
175 -13.40698 0.7672 -0.6414 -0.0043
2146
176 -13.40698 -0.7672 0.6414 0.0043
2147
177 -13.20775 -0.7668 0.6419 0.0004
2148
178 -13.20775 0.7668 -0.6419 -0.0004
2149
179 -13.09397 -0.7659 0.6429 -0.0017
2150
180 -13.09397 0.7659 -0.6429 0.0017
2151
181 -7.66516 0.7063 -0.5165 -0.1091
2152
182 -7.66516 -0.7063 0.5165 0.1091
2153
183 -7.45082 0.6364 -0.5182 -0.0178
2154
184 -7.45082 -0.6364 0.5182 0.0178
2155
185 -7.25767 0.4701 -0.3946 0.0004
2156
186 -7.25767 -0.4701 0.3946 -0.0004
2157
187 -6.88535 0.3821 -0.3369 0.0024
2158
188 -6.88535 -0.3821 0.3369 -0.0024
2159
189 -6.84311 0.1412 -0.1217 0.0039
2160
190 -6.84311 -0.1412 0.1217 -0.0039
2161
191 -6.62526 -0.3200 0.2691 -0.0020
2162
192 -6.62523 0.3201 -0.2691 0.0020
2163
193 -6.59187 0.2563 -0.2158 0.0051
2164
194 -6.59184 -0.2564 0.2158 -0.0051
2165
195 -6.45859 -0.2723 0.1734 -0.0640
2166
196 -6.45858 0.2640 -0.2033 0.1095
2167
197 -6.45453 0.0078 -0.0384 0.1993
2168
198 -6.45453 -0.0100 0.0401 -0.2005
2169
199 -6.39877 -0.0023 0.0008 -0.0412
2170
200 -6.39877 -0.0021 0.0029 0.0412
2171
201 -6.39546 0.0062 -0.0144 0.0024
2172
202 -6.39545 -0.0067 0.0148 -0.0022
2173
203 -6.27942 -0.2393 0.2023 -0.0018
2174
204 -6.27941 0.2439 -0.2058 0.0016
2175
205 -6.23465 0.2279 -0.1928 -0.0039
2176
206 -6.23465 -0.2223 0.1884 0.0040
2177
207 -6.06768 0.2612 -0.2148 -0.0073
2178
208 -6.06767 -0.2644 0.2176 0.0073
2179
209 -5.98899 -0.2255 0.1874 0.0377
2180
210 -5.98899 0.2232 -0.1855 -0.0377
2181
211 -5.95364 0.0096 0.0036 -0.6017
2182
212 -5.95364 -0.0109 -0.0025 0.6016
2183
213 -5.89538 -0.0039 0.0010 -0.6361
2184
214 -5.89538 0.0044 -0.0014 0.6361
2185
215 -5.78436 -0.1271 0.1077 0.0061
2186
216 -5.78436 0.1271 -0.1078 -0.0061
2187
217 -5.68804 0.0638 -0.0528 0.0010
2188
218 -5.68804 -0.0633 0.0523 -0.0010
2189
219 -5.42691 -0.6347 0.5341 0.0172
2190
220 -5.42686 0.6148 -0.5174 -0.0164
2191
221 -5.40440 0.0857 -0.0730 -0.0578
2192
222 -5.40437 -0.0689 0.0587 0.0568
2193
223 -5.36653 0.3250 -0.2588 -0.0815
2194
224 -5.36652 -0.3203 0.2549 0.0815
2195
225 -5.34620 0.0751 -0.0572 0.1147
2196
226 -5.34620 -0.0761 0.0580 -0.1145
2197
227 -5.28001 -0.0022 0.0007 0.6239
2198
228 -5.28001 0.0018 -0.0004 -0.6239
2199
229 -5.25001 0.0031 -0.0005 0.7348
2200
230 -5.25001 -0.0028 0.0003 -0.7348
2201
231 -5.01420 0.5170 -0.4164 -0.0102
2202
232 -5.01420 -0.5177 0.4168 0.0102
2203
233 -4.82865 0.4508 -0.3802 0.0008
2204
234 -4.82864 -0.4362 0.3679 -0.0008
2205
235 -4.77471 -0.4558 0.3801 0.0015
2206
236 -4.77470 0.4397 -0.3666 -0.0014
2207
237 -4.38161 -0.5232 0.4381 0.0023
2208
238 -4.38160 0.5210 -0.4361 -0.0023
2209
239 -4.24213 -0.3561 0.2983 0.0012
2210
240 -4.24213 0.3548 -0.2969 -0.0012
2211
241 -3.99106 0.2379 -0.2000 -0.0008
2212
242 -3.99106 -0.2395 0.2014 0.0008
2213
243 -3.84188 0.2190 -0.1855 -0.0058
2214
244 -3.84188 -0.2209 0.1873 0.0058
2215
245 -3.75712 -0.2150 0.1807 0.0032
2216
246 -3.75712 0.2117 -0.1775 -0.0032
2217
247 -2.98053 -0.3615 0.3027 0.0006
2218
248 -2.98053 0.3644 -0.3052 -0.0006
2219
249 -2.79739 -0.3590 0.3054 0.0032
2220
250 -2.79739 0.3609 -0.3072 -0.0033
2221
251 -2.59645 -0.3863 0.3228 -0.0004
2222
252 -2.59644 0.3874 -0.3240 0.0004
2223
253 -2.17608 0.0002 0.0003 -0.5258
2224
254 -2.17608 -0.0015 0.0008 0.5258
2225
255 -2.03659 -0.0017 0.0012 0.4067
2226
256 -2.03659 0.0001 0.0002 -0.4067
2227
257 -1.92635 -0.0012 0.0006 0.4601
2228
258 -1.92635 -0.0005 0.0008 -0.4601
2229
259 -1.32853 -0.4589 0.3649 -0.0036
2230
260 -1.32853 0.4612 -0.3668 0.0036
2231
261 -1.16533 0.4410 -0.3644 -0.0106
2232
262 -1.16533 -0.4395 0.3631 0.0106
2233
263 -1.07996 -0.0062 0.0088 0.0436
2234
264 -1.07996 0.0066 -0.0091 -0.0436
2235
265 -1.00856 0.4481 -0.3666 -0.0135
2236
266 -1.00856 -0.4467 0.3652 0.0135
2237
267 -0.96021 -0.0185 0.0038 0.3011
2238
268 -0.96021 0.0190 -0.0043 -0.3011
2239
269 -0.89542 -0.0024 0.0008 -0.4769
2240
270 -0.89542 0.0022 -0.0006 0.4768
2241
271 5.79077 0.8407 -0.7052 -0.0001
2242
272 5.79077 -0.8414 0.7057 0.0001
2243
273 6.10218 0.8119 -0.6817 -0.0000
2244
274 6.10218 -0.8127 0.6823 0.0000
2245
275 6.29161 0.8827 -0.7428 -0.0077
2246
276 6.29161 -0.8836 0.7434 0.0077
2247
277 6.93488 1.1183 -0.9381 -0.0090
2248
278 6.93488 -1.1167 0.9367 0.0090
2249
279 7.01688 1.1771 -0.9853 -0.0035
2250
280 7.01688 -1.1754 0.9839 0.0035
2251
281 7.22958 0.9809 -0.8238 0.0003
2252
282 7.22958 -0.9808 0.8237 -0.0003
2253
283 7.49591 -0.9608 0.8048 0.0024
2254
284 7.49591 0.9592 -0.8035 -0.0024
2255
285 7.62586 -1.0159 0.8535 0.0162
2256
286 7.62586 1.0145 -0.8523 -0.0162
2257
287 8.17015 1.2863 -1.0792 0.0095
2258
288 8.17016 -1.2853 1.0784 -0.0095
2259
289 9.13983 1.0566 -0.8877 -0.0483
2260
290 9.13984 -1.0538 0.8854 0.0483
2261
291 9.39341 -0.0980 0.0813 0.0792
2262
292 9.39344 0.0971 -0.0807 -0.0790
2263
293 9.53547 -0.0296 0.0084 -1.1079
2264
294 9.53547 0.0297 -0.0084 1.1076
2265
295 9.68209 1.0496 -0.8790 -0.1391
2266
296 9.68209 -1.0461 0.8761 0.1391
2267
297 9.82357 -0.0122 0.0102 -0.0566
2268
298 9.82357 0.0108 -0.0091 0.0566
2269
299 10.01971 0.0078 0.0013 1.0883
2270
300 10.01971 -0.0080 -0.0012 -1.0881
2271
301 10.37764 -0.7564 0.6340 0.0117
2272
302 10.37767 0.7594 -0.6366 -0.0117
2273
303 10.51259 -0.4748 0.4031 -0.2399
2274
304 10.51261 0.4743 -0.4028 0.2393
2275
305 10.64116 0.8616 -0.7220 0.2043
2276
306 10.64118 -0.8606 0.7212 -0.2037
2277
307 11.53331 -0.8930 0.7491 -0.0436
2278
308 11.53333 0.8900 -0.7467 0.0436
2279
309 11.81246 -0.4534 0.3803 -0.1041
2280
310 11.81247 0.4543 -0.3810 0.1040
2281
311 12.14115 0.6473 -0.5429 0.0621
2282
312 12.14120 -0.6458 0.5416 -0.0619
2283
313 12.89873 -0.0376 0.0338 -0.0069
2284
314 12.89874 0.0304 -0.0279 0.0066
2285
315 13.11164 0.0468 0.0345 0.8007
2286
316 13.11164 -0.0440 -0.0368 -0.8005
2287
317 13.46324 -0.0155 0.0130 -0.0375
2288
318 13.46324 0.0148 -0.0127 0.0375
2289
319 14.20760 -0.0237 0.0172 0.2871
2290
320 14.20760 0.0235 -0.0170 -0.2870
2291
321 14.71849 0.0089 -0.0101 0.2801
2292
322 14.71849 -0.0099 0.0110 -0.2801
2293
323 14.81632 0.0863 -0.0730 0.0120
2294
324 14.81636 -0.0848 0.0718 -0.0120
2295
325 14.96785 -0.1415 0.1211 0.0642
2296
326 14.96789 0.1401 -0.1199 -0.0644
2297
327 15.05355 0.4410 -0.3798 -0.0690
2298
328 15.05357 -0.4445 0.3827 0.0689
2299
329 15.19601 0.2302 -0.2344 0.6426
2300
330 15.19604 -0.2194 0.2258 -0.6423
2301
331 15.19864 -0.0075 0.0110 -0.6632
2302
332 15.19866 -0.0045 -0.0014 0.6631
2303
333 15.31947 -0.0186 0.0154 0.1173
2304
334 15.31948 0.0194 -0.0161 -0.1173
2305
335 15.82480 0.0041 -0.0007 -0.5853
2306
336 15.82480 -0.0041 0.0007 0.5853
2307
337 16.24874 -0.7547 0.6358 0.0050
2308
338 16.24875 0.7580 -0.6387 -0.0050
2309
339 16.62884 -0.5119 0.4290 -0.0043
2310
340 16.62884 0.5152 -0.4321 0.0043
2311
341 17.18374 0.2600 -0.2169 -0.0091
2312
342 17.18374 -0.2612 0.2180 0.0092
2313
343 17.55407 -0.0066 0.0019 0.8474
2314
344 17.55407 0.0037 0.0005 -0.8474
2315
345 17.75057 0.9229 -0.7506 0.0278
2316
346 17.75058 -0.9193 0.7475 -0.0277
2317
347 18.23478 0.1542 -0.1310 -0.1170
2318
348 18.23478 -0.1541 0.1311 0.1170
2319
349 18.53849 -0.0028 0.0036 0.8192
2320
350 18.53850 0.0019 -0.0029 -0.8192
2321
351 18.76555 -0.0009 0.0003 -0.9480
2322
352 18.76555 0.0008 -0.0002 0.9482
2323
353 19.21118 0.0111 -0.0115 0.7415
2324
354 19.21119 0.0148 -0.0102 -0.7414
2325
355 19.24866 0.0173 -0.0194 0.0913
2326
356 19.24866 -0.0449 0.0427 -0.0915
2327
357 19.44127 -0.0133 0.0129 0.0215
2328
358 19.44127 0.0134 -0.0129 -0.0216
2329
359 19.75416 0.0051 0.0016 1.1305
2330
360 19.75416 -0.0046 -0.0020 -1.1304
2331
361 20.20255 -0.0005 -0.0003 0.5927
2332
362 20.20255 0.0009 -0.0000 -0.5927
2333
363 20.51025 -0.0092 0.0084 -1.1266
2334
364 20.51025 0.0097 -0.0086 1.1266
2335
365 21.07647 -0.0060 0.0003 0.5514
2336
366 21.07647 0.0062 -0.0005 -0.5514
2337
367 21.26308 0.5998 -0.4992 0.0199
2338
368 21.26309 -0.5989 0.4985 -0.0199
2339
369 21.33945 -0.5693 0.4772 -0.0071
2340
370 21.33946 0.5682 -0.4764 0.0071
2341
371 21.78861 -0.6031 0.5057 -0.0001
2342
372 21.78861 0.6029 -0.5055 0.0001
2343
373 25.90995 0.9404 -0.7887 0.0026
2344
374 25.90995 -0.9402 0.7885 -0.0026
2345
375 27.95818 -0.8917 0.7452 0.0045
2346
376 27.95818 0.8914 -0.7449 -0.0045
2347
377 31.13796 0.8886 -0.7460 0.0000
2348
378 31.13796 -0.8890 0.7463 -0.0000
2349
379 39.40581 -0.5349 0.4487 -0.0003
2350
380 39.40581 0.5346 -0.4485 0.0003
2351
381 42.22538 0.6502 -0.5436 0.0061
2352
382 42.22538 -0.6503 0.5436 -0.0061
2353
383 46.54510 -0.6898 0.5786 -0.0034
2354
384 46.54510 0.6899 -0.5787 0.0034
2355
385 50.27645 0.6674 -0.5599 0.0075
2356
386 50.27645 -0.6674 0.5599 -0.0075
2357
387 52.16722 0.6240 -0.5230 0.0025
2358
388 52.16722 -0.6240 0.5230 -0.0025
2359
389 53.96639 0.5984 -0.5021 0.0275
2360
390 53.96639 -0.5984 0.5021 -0.0275
2361
2362
k-point 7 ( 0.002411 0.004175 0.000000 ) (Bohr^-1)
2363
ie e(eV) Sx Sy Sz
2364
1 -51.72595 0.2015 -0.1164 0.1185
2365
2 -51.72595 -0.2014 0.1163 -0.1185
2366
3 -51.67056 -0.3173 0.1832 -0.0302
2367
4 -51.67053 0.3144 -0.1815 0.0312
2368
5 -51.66991 0.3416 -0.1972 -0.0121
2369
6 -51.66985 -0.3417 0.1973 0.0119
2370
7 -51.66906 0.2084 -0.1203 -0.0824
2371
8 -51.66888 -0.2254 0.1301 0.1059
2372
9 -51.66714 -0.0398 0.0230 -0.2765
2373
10 -51.66702 0.0590 -0.0341 0.2545
2374
11 -51.66347 -0.2795 0.1614 -0.0068
2375
12 -51.66337 0.2788 -0.1610 0.0050
2376
13 -51.65083 -0.0458 0.0265 -0.4349
2377
14 -51.65080 0.0488 -0.0282 0.4340
2378
15 -51.62123 0.0291 -0.0168 0.3766
2379
16 -51.62122 -0.0307 0.0177 -0.3763
2380
17 -51.61745 -0.1051 0.0607 0.0858
2381
18 -51.61731 0.1054 -0.0608 -0.0826
2382
19 -51.61431 -0.3931 0.2269 -0.1045
2383
20 -51.61414 0.3979 -0.2297 0.1001
2384
21 -51.61141 -0.2207 0.1274 0.1268
2385
22 -51.61138 0.2264 -0.1307 -0.1288
2386
23 -51.60396 0.0268 -0.0155 0.3346
2387
24 -51.60393 -0.0332 0.0191 -0.3326
2388
25 -51.60083 0.0293 -0.0169 0.3474
2389
26 -51.60079 -0.0351 0.0203 -0.3463
2390
27 -51.58233 -0.0532 0.0307 -0.1203
2391
28 -51.58232 0.0546 -0.0315 0.1203
2392
29 -51.26116 -0.2265 0.1308 0.0363
2393
30 -51.26099 0.2385 -0.1377 -0.0425
2394
31 -51.25337 0.0852 -0.0492 0.4450
2395
32 -51.25327 -0.0970 0.0560 -0.4387
2396
33 -51.25219 0.3136 -0.1810 -0.0288
2397
34 -51.25208 -0.3170 0.1830 0.0292
2398
35 -51.22185 -0.0319 0.0184 -0.3923
2399
36 -51.22182 0.0351 -0.0203 0.3919
2400
37 -50.84149 -0.4156 0.2400 0.0109
2401
38 -50.84149 0.4156 -0.2400 -0.0109
2402
39 -50.80217 -0.1661 0.0959 0.2547
2403
40 -50.80215 0.1652 -0.0954 -0.2551
2404
41 -50.78400 0.3457 -0.1996 -0.0774
2405
42 -50.78393 -0.3284 0.1896 0.0917
2406
43 -50.78354 -0.3534 0.2041 0.0686
2407
44 -50.78347 0.3209 -0.1853 -0.1033
2408
45 -50.78294 -0.0189 0.0109 0.3704
2409
46 -50.78292 0.0362 -0.0209 -0.3484
2410
47 -50.77955 -0.0304 0.0175 -0.1683
2411
48 -50.77943 0.0362 -0.0209 0.1669
2412
49 -50.76957 -0.6517 0.3763 0.1050
2413
50 -50.76935 0.6555 -0.3784 -0.0974
2414
51 -50.76475 0.1510 -0.0872 -0.2352
2415
52 -50.76460 -0.1587 0.0916 0.2286
2416
53 -50.75073 0.4509 -0.2603 -0.0332
2417
54 -50.75051 -0.4529 0.2615 0.0260
2418
55 -50.74879 -0.0288 0.0167 0.4749
2419
56 -50.74875 0.0063 -0.0037 -0.4896
2420
57 -50.74856 -0.1156 0.0668 -0.2306
2421
58 -50.74850 0.1485 -0.0857 0.2437
2422
59 -50.74817 -0.2709 0.1564 0.0693
2423
60 -50.74814 0.2564 -0.1480 -0.0622
2424
61 -50.73809 0.0128 -0.0074 -0.4927
2425
62 -50.73808 -0.0117 0.0068 0.4918
2426
63 -50.73672 0.0960 -0.0554 -0.1432
2427
64 -50.73667 -0.0946 0.0546 0.1463
2428
65 -50.71705 0.2079 -0.1200 0.3463
2429
66 -50.71696 -0.2097 0.1211 -0.3526
2430
67 -50.71108 -0.4904 0.2831 -0.1688
2431
68 -50.71101 0.4897 -0.2827 0.1726
2432
69 -50.70752 -0.0683 0.0395 0.4180
2433
70 -50.70748 0.0706 -0.0407 -0.4178
2434
71 -50.69744 0.0309 -0.0178 -0.9227
2435
72 -50.69740 -0.0341 0.0197 0.9255
2436
73 -50.69359 -0.0907 0.0523 0.3683
2437
74 -50.69353 0.0946 -0.0546 -0.3673
2438
75 -50.69157 0.4079 -0.2355 0.2293
2439
76 -50.69153 -0.4069 0.2349 -0.2321
2440
77 -50.67064 0.0625 -0.0361 -0.5719
2441
78 -50.67063 -0.0632 0.0365 0.5716
2442
79 -50.37978 0.3910 -0.2257 -0.0173
2443
80 -50.37966 -0.3919 0.2263 0.0172
2444
81 -50.36792 -0.1273 0.0735 -0.0470
2445
82 -50.36783 0.1197 -0.0691 0.0480
2446
83 -50.36315 -0.3136 0.1810 0.0587
2447
84 -50.36303 0.3139 -0.1812 -0.0598
2448
85 -50.34546 0.3469 -0.2003 0.0489
2449
86 -50.34532 -0.3398 0.1962 -0.0466
2450
87 -50.34024 -0.0449 0.0259 -0.1444
2451
88 -50.34013 0.0533 -0.0308 0.1435
2452
89 -50.32250 0.1772 -0.1023 -0.1680
2453
90 -50.32235 -0.1845 0.1065 0.1668
2454
91 -29.08020 -0.0007 0.0004 0.4794
2455
92 -29.08020 0.0007 -0.0003 -0.4794
2456
93 -29.07569 0.0022 -0.0013 -0.1090
2457
94 -29.07569 -0.0007 0.0004 0.1091
2458
95 -29.07495 -0.0022 0.0013 0.0265
2459
96 -29.07495 0.0006 -0.0003 -0.0266
2460
97 -29.06417 0.0010 0.0019 0.2611
2461
98 -29.06417 -0.0008 -0.0020 -0.2611
2462
99 -29.05159 0.3472 -0.2013 -0.0000
2463
100 -29.05159 -0.3473 0.2013 0.0000
2464
101 -29.04910 -0.3464 0.1999 -0.0011
2465
102 -29.04909 0.3465 -0.1999 0.0011
2466
103 -29.04705 -0.3461 0.1987 0.0010
2467
104 -29.04705 0.3461 -0.1987 -0.0010
2468
105 -29.03333 0.3444 -0.1987 -0.0005
2469
106 -29.03333 -0.3444 0.1987 0.0005
2470
107 -29.02457 -0.0064 0.0037 0.1547
2471
108 -29.02457 -0.0015 0.0009 -0.1547
2472
109 -29.02455 0.0060 -0.0034 -0.1545
2473
110 -29.02455 0.0020 -0.0011 0.1545
2474
111 -29.00455 0.3394 -0.1959 -0.0005
2475
112 -29.00454 -0.3394 0.1959 0.0005
2476
113 -29.00425 -0.3491 0.2015 0.0005
2477
114 -29.00424 0.3491 -0.2015 -0.0005
2478
115 -26.15001 -0.0985 0.0567 -0.0003
2479
116 -26.15001 0.0985 -0.0567 0.0003
2480
117 -26.13654 -0.1000 0.0576 -0.0144
2481
118 -26.13654 0.0994 -0.0573 0.0144
2482
119 -26.13444 0.0974 -0.0563 0.0033
2483
120 -26.13444 -0.0968 0.0560 -0.0033
2484
121 -26.10100 -0.0428 0.0256 -0.0021
2485
122 -26.10100 0.0424 -0.0254 0.0021
2486
123 -26.08895 -0.0201 0.0108 0.5194
2487
124 -26.08895 0.0206 -0.0111 -0.5194
2488
125 -26.08453 0.0202 -0.0120 -0.5794
2489
126 -26.08453 -0.0196 0.0117 0.5794
2490
127 -26.08420 -0.0187 0.0107 0.5336
2491
128 -26.08420 0.0166 -0.0095 -0.5339
2492
129 -26.08233 0.1577 -0.0904 -0.0699
2493
130 -26.08232 -0.1561 0.0895 0.0702
2494
131 -26.07528 -0.3363 0.1945 -0.0137
2495
132 -26.07528 0.3367 -0.1947 0.0137
2496
133 -26.07090 0.3333 -0.1924 0.0273
2497
134 -26.07089 -0.3339 0.1927 -0.0272
2498
135 -26.06389 -0.1331 0.0769 0.1706
2499
136 -26.06388 0.1352 -0.0781 -0.1749
2500
137 -26.06365 0.0962 -0.0554 -0.1497
2501
138 -26.06364 -0.0963 0.0554 0.1513
2502
139 -26.06319 0.0492 -0.0286 0.3252
2503
140 -26.06319 -0.0514 0.0299 -0.3225
2504
141 -26.04947 -0.4615 0.2673 0.0007
2505
142 -26.04947 0.4616 -0.2673 -0.0007
2506
143 -26.03387 -0.0228 0.0132 0.4124
2507
144 -26.03387 0.0187 -0.0108 -0.4125
2508
145 -26.03372 0.0194 -0.0112 -0.4146
2509
146 -26.03372 -0.0151 0.0087 0.4147
2510
147 -26.02147 0.4128 -0.2384 -0.0032
2511
148 -26.02146 -0.4130 0.2384 0.0032
2512
149 -26.02092 -0.4523 0.2611 0.0025
2513
150 -26.02091 0.4524 -0.2612 -0.0025
2514
151 -18.92799 0.8615 -0.4981 -0.0988
2515
152 -18.92799 -0.8615 0.4981 0.0988
2516
153 -18.85206 0.8660 -0.5000 -0.0012
2517
154 -18.85206 -0.8660 0.5000 0.0012
2518
155 -18.83205 -0.8660 0.5000 -0.0029
2519
156 -18.83205 0.8660 -0.5000 0.0029
2520
157 -18.27504 0.8659 -0.5000 -0.0003
2521
158 -18.27504 -0.8659 0.5000 0.0003
2522
159 -18.05890 0.8659 -0.5000 -0.0007
2523
160 -18.05890 -0.8659 0.5000 0.0007
2524
161 -17.86099 0.8660 -0.4999 -0.0031
2525
162 -17.86099 -0.8660 0.4999 0.0031
2526
163 -17.44162 0.8659 -0.4999 -0.0005
2527
164 -17.44162 -0.8659 0.4999 0.0005
2528
165 -17.19000 0.8659 -0.4999 -0.0013
2529
166 -17.19000 -0.8659 0.4999 0.0013
2530
167 -17.07076 0.8658 -0.4999 -0.0008
2531
168 -17.07076 -0.8658 0.4999 0.0008
2532
169 -14.82705 0.8658 -0.5001 0.0018
2533
170 -14.82705 -0.8658 0.5001 -0.0018
2534
171 -14.58359 -0.8665 0.4989 0.0034
2535
172 -14.58359 0.8665 -0.4989 -0.0034
2536
173 -14.39232 -0.8659 0.4999 0.0003
2537
174 -14.39232 0.8659 -0.4999 -0.0003
2538
175 -13.40698 0.8662 -0.4997 -0.0046
2539
176 -13.40698 -0.8662 0.4997 0.0046
2540
177 -13.20775 -0.8660 0.5000 0.0004
2541
178 -13.20775 0.8660 -0.5000 -0.0004
2542
179 -13.09397 -0.8660 0.5000 -0.0017
2543
180 -13.09397 0.8660 -0.5000 0.0017
2544
181 -7.66516 0.7582 -0.4366 -0.1098
2545
182 -7.66516 -0.7582 0.4366 0.1098
2546
183 -7.45082 0.7107 -0.4103 -0.0190
2547
184 -7.45082 -0.7107 0.4103 0.0190
2548
185 -7.25767 0.5315 -0.3069 0.0005
2549
186 -7.25767 -0.5315 0.3069 -0.0005
2550
187 -6.88535 0.4410 -0.2549 0.0028
2551
188 -6.88535 -0.4410 0.2549 -0.0028
2552
189 -6.84311 0.1614 -0.0932 0.0041
2553
190 -6.84311 -0.1614 0.0932 -0.0041
2554
191 -6.62526 -0.3621 0.2090 -0.0024
2555
192 -6.62523 0.3621 -0.2091 0.0024
2556
193 -6.59187 0.2901 -0.1675 0.0059
2557
194 -6.59184 -0.2901 0.1675 -0.0059
2558
195 -6.45859 -0.2877 0.1661 -0.0721
2559
196 -6.45858 0.2845 -0.1642 0.1219
2560
197 -6.45453 0.0132 -0.0076 0.2119
2561
198 -6.45453 -0.0156 0.0090 -0.2132
2562
199 -6.39876 -0.0013 0.0007 -0.0385
2563
200 -6.39875 -0.0037 0.0021 0.0385
2564
201 -6.39548 0.0086 -0.0050 0.0013
2565
202 -6.39547 -0.0091 0.0053 -0.0011
2566
203 -6.27942 -0.2712 0.1567 -0.0030
2567
204 -6.27941 0.2764 -0.1594 0.0029
2568
205 -6.23465 0.2583 -0.1491 -0.0058
2569
206 -6.23465 -0.2520 0.1457 0.0058
2570
207 -6.06768 0.2928 -0.1689 -0.0081
2571
208 -6.06767 -0.2964 0.1711 0.0082
2572
209 -5.98899 -0.2540 0.1465 0.0349
2573
210 -5.98899 0.2514 -0.1450 -0.0348
2574
211 -5.95364 0.0074 -0.0043 -0.6081
2575
212 -5.95364 -0.0088 0.0051 0.6080
2576
213 -5.89538 -0.0035 0.0020 -0.6399
2577
214 -5.89538 0.0041 -0.0024 0.6399
2578
215 -5.78436 -0.1443 0.0832 0.0057
2579
216 -5.78436 0.1443 -0.0833 -0.0057
2580
217 -5.68804 0.0717 -0.0415 0.0012
2581
218 -5.68804 -0.0711 0.0410 -0.0012
2582
219 -5.42690 -0.7184 0.4148 0.0198
2583
220 -5.42686 0.6958 -0.4017 -0.0189
2584
221 -5.40440 0.0972 -0.0562 -0.0668
2585
222 -5.40437 -0.0782 0.0450 0.0657
2586
223 -5.36653 0.3594 -0.2075 -0.0938
2587
224 -5.36652 -0.3541 0.2045 0.0937
2588
225 -5.34620 0.0820 -0.0474 0.1310
2589
226 -5.34619 -0.0831 0.0480 -0.1307
2590
227 -5.28001 -0.0020 0.0012 0.6268
2591
228 -5.28001 0.0016 -0.0009 -0.6268
2592
229 -5.25001 0.0027 -0.0016 0.7549
2593
230 -5.25001 -0.0025 0.0014 -0.7549
2594
231 -5.01420 0.5749 -0.3318 -0.0103
2595
232 -5.01420 -0.5757 0.3321 0.0103
2596
233 -4.82865 0.5107 -0.2949 0.0008
2597
234 -4.82864 -0.4942 0.2853 -0.0008
2598
235 -4.77471 -0.5140 0.2967 0.0015
2599
236 -4.77470 0.4958 -0.2862 -0.0015
2600
237 -4.38161 -0.5910 0.3412 0.0025
2601
238 -4.38160 0.5884 -0.3397 -0.0025
2602
239 -4.24213 -0.4022 0.2323 0.0013
2603
240 -4.24213 0.4007 -0.2312 -0.0013
2604
241 -3.99106 0.2692 -0.1554 -0.0008
2605
242 -3.99106 -0.2710 0.1564 0.0008
2606
243 -3.84188 0.2487 -0.1434 -0.0058
2607
244 -3.84188 -0.2508 0.1448 0.0059
2608
245 -3.75712 -0.2431 0.1405 0.0032
2609
246 -3.75712 0.2393 -0.1380 -0.0032
2610
247 -2.98053 -0.4084 0.2357 0.0007
2611
248 -2.98053 0.4117 -0.2376 -0.0007
2612
249 -2.79739 -0.4083 0.2356 0.0034
2613
250 -2.79739 0.4104 -0.2370 -0.0034
2614
251 -2.59645 -0.4360 0.2517 -0.0004
2615
252 -2.59644 0.4373 -0.2526 0.0004
2616
253 -2.17608 0.0000 -0.0001 -0.5278
2617
254 -2.17608 -0.0015 0.0009 0.5279
2618
255 -2.03659 -0.0018 0.0010 0.4122
2619
256 -2.03659 -0.0001 0.0000 -0.4122
2620
257 -1.92635 -0.0013 0.0006 0.4162
2621
258 -1.92635 -0.0006 0.0005 -0.4162
2622
259 -1.32853 -0.5069 0.2948 -0.0025
2623
260 -1.32853 0.5095 -0.2963 0.0024
2624
261 -1.16533 0.4954 -0.2861 -0.0126
2625
262 -1.16533 -0.4937 0.2851 0.0126
2626
263 -1.07996 -0.0093 0.0055 0.2086
2627
264 -1.07996 0.0096 -0.0057 -0.2086
2628
265 -1.00856 0.5012 -0.2897 -0.0161
2629
266 -1.00856 -0.4995 0.2887 0.0162
2630
267 -0.96021 -0.0159 0.0095 0.2691
2631
268 -0.96021 0.0166 -0.0099 -0.2691
2632
269 -0.89542 -0.0022 0.0013 -0.4518
2633
270 -0.89542 0.0019 -0.0012 0.4518
2634
271 5.79077 0.9503 -0.5486 -0.0001
2635
272 5.79077 -0.9511 0.5490 0.0001
2636
273 6.10218 0.9181 -0.5301 -0.0001
2637
274 6.10218 -0.9190 0.5305 0.0001
2638
275 6.29161 0.9990 -0.5770 -0.0075
2639
276 6.29161 -1.0000 0.5775 0.0075
2640
277 6.93488 1.2641 -0.7298 -0.0105
2641
278 6.93488 -1.2622 0.7287 0.0105
2642
279 7.01688 1.3295 -0.7672 -0.0043
2643
280 7.01688 -1.3277 0.7661 0.0043
2644
281 7.22958 1.1093 -0.6405 0.0004
2645
282 7.22958 -1.1091 0.6405 -0.0004
2646
283 7.49591 -1.0854 0.6266 0.0035
2647
284 7.49591 1.0837 -0.6256 -0.0035
2648
285 7.62586 -1.1490 0.6635 0.0180
2649
286 7.62586 1.1474 -0.6626 -0.0180
2650
287 8.17015 1.4542 -0.8396 0.0111
2651
288 8.17016 -1.4530 0.8389 -0.0111
2652
289 9.13983 1.1949 -0.6899 -0.0561
2653
290 9.13984 -1.1917 0.6881 0.0561
2654
291 9.39341 -0.1107 0.0639 0.0914
2655
292 9.39343 0.1096 -0.0634 -0.0912
2656
293 9.53547 -0.0266 0.0154 -1.1114
2657
294 9.53547 0.0267 -0.0154 1.1111
2658
295 9.68209 1.1835 -0.6832 -0.1629
2659
296 9.68209 -1.1795 0.6809 0.1629
2660
297 9.82357 -0.0139 0.0081 -0.0662
2661
298 9.82357 0.0123 -0.0072 0.0662
2662
299 10.01971 0.0065 -0.0038 1.0927
2663
300 10.01971 -0.0067 0.0039 -1.0926
2664
301 10.37762 -0.8549 0.4936 0.0134
2665
302 10.37765 0.8584 -0.4956 -0.0134
2666
303 10.51263 -0.5344 0.3086 -0.2764
2667
304 10.51265 0.5339 -0.3083 0.2758
2668
305 10.64114 0.9686 -0.5590 0.2355
2669
306 10.64116 -0.9674 0.5584 -0.2349
2670
307 11.53331 -1.0093 0.5826 -0.0503
2671
308 11.53333 1.0059 -0.5808 0.0502
2672
309 11.81245 -0.5118 0.2953 -0.1184
2673
310 11.81246 0.5128 -0.2959 0.1183
2674
311 12.14117 0.7314 -0.4225 0.0709
2675
312 12.14121 -0.7297 0.4215 -0.0706
2676
313 12.89873 -0.0427 0.0244 -0.0093
2677
314 12.89874 0.0345 -0.0199 0.0090
2678
315 13.11164 0.0324 -0.0149 0.9391
2679
316 13.11164 -0.0293 0.0131 -0.9389
2680
317 13.46324 -0.0176 0.0101 -0.0388
2681
318 13.46324 0.0168 -0.0098 0.0388
2682
319 14.20760 -0.0254 0.0145 0.2877
2683
320 14.20760 0.0252 -0.0144 -0.2877
2684
321 14.71849 0.0112 -0.0066 0.2751
2685
322 14.71849 -0.0124 0.0073 -0.2751
2686
323 14.81632 0.0978 -0.0564 0.0142
2687
324 14.81636 -0.0962 0.0554 -0.0141
2688
325 14.96784 -0.1611 0.0930 0.0742
2689
326 14.96789 0.1596 -0.0921 -0.0744
2690
327 15.05355 0.5015 -0.2886 -0.0793
2691
328 15.05357 -0.5054 0.2908 0.0792
2692
329 15.19602 0.2792 -0.1611 0.7558
2693
330 15.19605 -0.2671 0.1542 -0.7554
2694
331 15.19863 -0.0087 0.0050 -0.7871
2695
332 15.19866 -0.0047 0.0027 0.7870
2696
333 15.31947 -0.0209 0.0121 0.1298
2697
334 15.31948 0.0219 -0.0127 -0.1298
2698
335 15.82480 0.0037 -0.0022 -0.5678
2699
336 15.82480 -0.0037 0.0022 0.5679
2700
337 16.24874 -0.8546 0.4934 0.0052
2701
338 16.24875 0.8584 -0.4957 -0.0052
2702
339 16.62884 -0.5784 0.3340 -0.0055
2703
340 16.62884 0.5822 -0.3363 0.0055
2704
341 17.18374 0.2934 -0.1691 -0.0083
2705
342 17.18374 -0.2948 0.1700 0.0083
2706
343 17.55407 -0.0064 0.0035 0.8428
2707
344 17.55407 0.0031 -0.0016 -0.8428
2708
345 17.75057 1.0319 -0.5919 0.0257
2709
346 17.75058 -1.0279 0.5894 -0.0256
2710
347 18.23478 0.1752 -0.1012 -0.1128
2711
348 18.23478 -0.1751 0.1013 0.1128
2712
349 18.53849 -0.0032 0.0018 0.8158
2713
350 18.53850 0.0022 -0.0012 -0.8159
2714
351 18.76555 -0.0008 0.0005 -0.9480
2715
352 18.76555 0.0007 -0.0004 0.9481
2716
353 19.21118 0.0133 -0.0078 0.7538
2717
354 19.21119 0.0160 -0.0091 -0.7537
2718
355 19.24866 0.0227 -0.0124 0.0782
2719
356 19.24866 -0.0539 0.0305 -0.0784
2720
357 19.44127 -0.0157 0.0091 0.0276
2721
358 19.44127 0.0158 -0.0091 -0.0277
2722
359 19.75416 0.0047 -0.0027 1.1911
2723
360 19.75416 -0.0041 0.0024 -1.1910
2724
361 20.20255 -0.0003 0.0002 0.5980
2725
362 20.20255 0.0008 -0.0004 -0.5979
2726
363 20.51025 -0.0104 0.0061 -1.1469
2727
364 20.51025 0.0109 -0.0063 1.1469
2728
365 21.07647 -0.0057 0.0033 0.5277
2729
366 21.07647 0.0060 -0.0034 -0.5276
2730
367 21.26308 0.6758 -0.3900 0.0230
2731
368 21.26309 -0.6749 0.3895 -0.0229
2732
369 21.33945 -0.6433 0.3715 -0.0086
2733
370 21.33946 0.6420 -0.3708 0.0086
2734
371 21.78861 -0.6816 0.3935 -0.0001
2735
372 21.78861 0.6814 -0.3933 0.0001
2736
373 25.90995 1.0629 -0.6137 0.0020
2737
374 25.90995 -1.0627 0.6135 -0.0020
2738
375 27.95818 -1.0065 0.5810 0.0047
2739
376 27.95818 1.0061 -0.5808 -0.0047
2740
377 31.13796 1.0048 -0.5802 0.0002
2741
378 31.13796 -1.0052 0.5804 -0.0002
2742
379 39.40581 -0.6047 0.3490 -0.0003
2743
380 39.40581 0.6044 -0.3489 0.0003
2744
381 42.22538 0.7340 -0.4237 0.0058
2745
382 42.22538 -0.7341 0.4238 -0.0058
2746
383 46.54510 -0.7797 0.4502 -0.0037
2747
384 46.54510 0.7798 -0.4502 0.0037
2748
385 50.27645 0.7544 -0.4356 0.0085
2749
386 50.27645 -0.7545 0.4356 -0.0085
2750
387 52.16722 0.7051 -0.4070 0.0030
2751
388 52.16722 -0.7051 0.4071 -0.0030
2752
389 53.96639 0.6763 -0.3905 0.0313
2753
390 53.96639 -0.6764 0.3905 -0.0313
2754
2755
k-point 8 ( 0.001649 0.004530 0.000000 ) (Bohr^-1)
2756
ie e(eV) Sx Sy Sz
2757
1 -51.72595 0.2935 0.1236 0.0980
2758
2 -51.72595 -0.2934 -0.1236 -0.0980
2759
3 -51.67056 -0.3431 0.1326 -0.0299
2760
4 -51.67053 0.3403 -0.1309 0.0309
2761
5 -51.66991 0.3724 -0.1338 -0.0119
2762
6 -51.66985 -0.3726 0.1337 0.0118
2763
7 -51.66906 0.2061 -0.1243 -0.0827
2764
8 -51.66888 -0.2227 0.1343 0.1058
2765
9 -51.66714 -0.0398 0.0226 -0.2748
2766
10 -51.66702 0.0585 -0.0340 0.2531
2767
11 -51.66347 -0.3109 0.0957 -0.0068
2768
12 -51.66337 0.3102 -0.0953 0.0050
2769
13 -51.65083 -0.0471 0.0236 -0.4341
2770
14 -51.65080 0.0503 -0.0248 0.4333
2771
15 -51.62123 0.0292 -0.0163 0.3775
2772
16 -51.62122 -0.0309 0.0169 -0.3771
2773
17 -51.61745 -0.1458 -0.0127 0.0847
2774
18 -51.61731 0.1464 0.0133 -0.0816
2775
19 -51.61431 -0.3981 0.2073 -0.1032
2776
20 -51.61414 0.4028 -0.2100 0.0989
2777
21 -51.61141 -0.1822 0.1862 0.1250
2778
22 -51.61138 0.1882 -0.1889 -0.1270
2779
23 -51.60396 0.0262 -0.0153 0.3263
2780
24 -51.60393 -0.0329 0.0182 -0.3244
2781
25 -51.60083 0.0291 -0.0166 0.3459
2782
26 -51.60079 -0.0353 0.0192 -0.3449
2783
27 -51.58233 -0.0542 0.0279 -0.1204
2784
28 -51.58232 0.0557 -0.0285 0.1204
2785
29 -51.26116 -0.2332 0.1193 0.0363
2786
30 -51.26099 0.2458 -0.1246 -0.0425
2787
31 -51.25337 0.0890 -0.0413 0.4425
2788
32 -51.25327 -0.1015 0.0466 -0.4363
2789
33 -51.25218 0.3386 -0.1323 -0.0286
2790
34 -51.25208 -0.3423 0.1337 0.0289
2791
35 -51.22185 -0.0320 0.0178 -0.3925
2792
36 -51.22182 0.0355 -0.0191 0.3921
2793
37 -50.84149 -0.4835 0.0932 0.0104
2794
38 -50.84149 0.4835 -0.0932 -0.0104
2795
39 -50.80217 -0.1671 0.0886 0.2510
2796
40 -50.80215 0.1661 -0.0882 -0.2513
2797
41 -50.78400 0.4297 -0.0154 -0.0732
2798
42 -50.78393 -0.4124 0.0059 0.0872
2799
43 -50.78354 -0.4350 0.0248 0.0649
2800
44 -50.78347 0.4034 -0.0056 -0.0989
2801
45 -50.78294 -0.0154 0.0173 0.3691
2802
46 -50.78292 0.0320 -0.0278 -0.3475
2803
47 -50.77955 -0.0161 0.0420 -0.1678
2804
48 -50.77943 0.0211 -0.0465 0.1664
2805
49 -50.76957 -0.6637 0.3490 0.1044
2806
50 -50.76935 0.6695 -0.3475 -0.0970
2807
51 -50.76475 0.1489 -0.0908 -0.2350
2808
52 -50.76460 -0.1575 0.0935 0.2285
2809
53 -50.75073 0.4627 -0.2356 -0.0330
2810
54 -50.75052 -0.4638 0.2383 0.0259
2811
55 -50.74879 -0.0284 0.0168 0.4750
2812
56 -50.74875 0.0063 -0.0040 -0.4895
2813
57 -50.74856 -0.1172 0.0627 -0.2276
2814
58 -50.74850 0.1491 -0.0827 0.2405
2815
59 -50.74817 -0.2698 0.1417 0.0682
2816
60 -50.74814 0.2542 -0.1352 -0.0612
2817
61 -50.73809 0.0259 0.0161 -0.4806
2818
62 -50.73808 -0.0246 -0.0164 0.4797
2819
63 -50.73672 0.1122 -0.0260 -0.1422
2820
64 -50.73667 -0.1109 0.0251 0.1452
2821
65 -50.71705 0.2111 -0.1140 0.3458
2822
66 -50.71696 -0.2126 0.1155 -0.3520
2823
67 -50.71108 -0.5094 0.2438 -0.1678
2824
68 -50.71101 0.5082 -0.2443 0.1716
2825
69 -50.70752 -0.0746 0.0269 0.4110
2826
70 -50.70748 0.0770 -0.0277 -0.4108
2827
71 -50.69744 0.0429 0.0049 -0.8982
2828
72 -50.69740 -0.0465 -0.0039 0.9011
2829
73 -50.69359 -0.1004 0.0316 0.3599
2830
74 -50.69353 0.1047 -0.0331 -0.3588
2831
75 -50.69157 0.4351 -0.1836 0.2283
2832
76 -50.69153 -0.4339 0.1834 -0.2310
2833
77 -50.67064 0.0713 -0.0179 -0.5578
2834
78 -50.67063 -0.0720 0.0181 0.5576
2835
79 -50.37978 0.4378 -0.1330 -0.0171
2836
80 -50.37966 -0.4390 0.1331 0.0170
2837
81 -50.36792 -0.1411 0.0387 -0.0462
2838
82 -50.36783 0.1331 -0.0354 0.0472
2839
83 -50.36315 -0.3613 0.0918 0.0582
2840
84 -50.36303 0.3619 -0.0916 -0.0593
2841
85 -50.34546 0.3459 -0.1926 0.0483
2842
86 -50.34532 -0.3382 0.1897 -0.0461
2843
87 -50.34024 -0.0671 -0.0143 -0.1420
2844
88 -50.34013 0.0762 0.0109 0.1410
2845
89 -50.32250 0.1915 -0.0733 -0.1657
2846
90 -50.32235 -0.1996 0.0760 0.1645
2847
91 -29.08020 -0.0007 0.0005 0.4638
2848
92 -29.08020 0.0006 -0.0004 -0.4638
2849
93 -29.07569 0.0023 -0.0011 -0.1080
2850
94 -29.07569 -0.0006 0.0004 0.1080
2851
95 -29.07495 -0.0023 0.0011 0.0255
2852
96 -29.07495 0.0006 -0.0004 -0.0256
2853
97 -29.06417 0.0009 0.0018 0.2996
2854
98 -29.06417 -0.0008 -0.0019 -0.2996
2855
99 -29.05159 0.3773 -0.1370 -0.0000
2856
100 -29.05159 -0.3774 0.1371 0.0000
2857
101 -29.04910 -0.3762 0.1362 -0.0010
2858
102 -29.04909 0.3762 -0.1362 0.0010
2859
103 -29.04705 -0.3765 0.1326 0.0009
2860
104 -29.04705 0.3765 -0.1326 -0.0009
2861
105 -29.03333 0.3742 -0.1346 -0.0004
2862
106 -29.03333 -0.3742 0.1346 0.0004
2863
107 -29.02457 -0.0069 0.0025 0.1570
2864
108 -29.02457 -0.0016 0.0006 -0.1569
2865
109 -29.02455 0.0064 -0.0024 -0.1568
2866
110 -29.02455 0.0021 -0.0008 0.1568
2867
111 -29.00455 0.3690 -0.1324 -0.0005
2868
112 -29.00454 -0.3690 0.1324 0.0005
2869
113 -29.00425 -0.3795 0.1363 0.0005
2870
114 -29.00424 0.3795 -0.1363 -0.0005
2871
115 -26.15001 -0.1080 0.0348 0.0001
2872
116 -26.15001 0.1081 -0.0348 -0.0001
2873
117 -26.13654 -0.1056 0.0463 -0.0191
2874
118 -26.13654 0.1050 -0.0461 0.0191
2875
119 -26.13444 0.1038 -0.0432 0.0062
2876
120 -26.13444 -0.1032 0.0430 -0.0062
2877
121 -26.10100 -0.0409 0.0284 0.0011
2878
122 -26.10100 0.0405 -0.0282 -0.0011
2879
123 -26.08895 -0.0175 0.0150 0.5103
2880
124 -26.08895 0.0180 -0.0151 -0.5103
2881
125 -26.08453 0.0216 -0.0092 -0.5767
2882
126 -26.08453 -0.0209 0.0089 0.5768
2883
127 -26.08420 -0.0197 0.0090 0.5344
2884
128 -26.08420 0.0174 -0.0082 -0.5347
2885
129 -26.08233 0.1570 -0.0919 -0.0699
2886
130 -26.08232 -0.1553 0.0912 0.0701
2887
131 -26.07528 -0.3689 0.1260 -0.0135
2888
132 -26.07528 0.3693 -0.1261 0.0135
2889
133 -26.07090 0.3676 -0.1175 0.0267
2890
134 -26.07089 -0.3683 0.1178 -0.0267
2891
135 -26.06389 -0.1448 0.0506 0.1678
2892
136 -26.06388 0.1469 -0.0516 -0.1718
2893
137 -26.06365 0.1079 -0.0319 -0.1569
2894
138 -26.06364 -0.1078 0.0320 0.1585
2895
139 -26.06319 0.0566 -0.0168 0.3096
2896
140 -26.06319 -0.0589 0.0177 -0.3072
2897
141 -26.04947 -0.5044 0.1765 0.0006
2898
142 -26.04947 0.5044 -0.1765 -0.0006
2899
143 -26.03387 -0.0234 0.0118 0.4117
2900
144 -26.03387 0.0189 -0.0101 -0.4118
2901
145 -26.03372 0.0198 -0.0104 -0.4138
2902
146 -26.03372 -0.0151 0.0086 0.4139
2903
147 -26.02147 0.4531 -0.1523 -0.0031
2904
148 -26.02146 -0.4533 0.1523 0.0031
2905
149 -26.02092 -0.4956 0.1684 0.0025
2906
150 -26.02091 0.4957 -0.1684 -0.0025
2907
151 -18.92799 0.9355 -0.3392 -0.0986
2908
152 -18.92799 -0.9355 0.3392 0.0986
2909
153 -18.85206 0.9397 -0.3420 -0.0014
2910
154 -18.85206 -0.9397 0.3420 0.0014
2911
155 -18.83205 -0.9397 0.3420 -0.0027
2912
156 -18.83205 0.9397 -0.3420 0.0027
2913
157 -18.27504 0.9397 -0.3419 -0.0003
2914
158 -18.27504 -0.9397 0.3419 0.0003
2915
159 -18.05890 0.9396 -0.3420 -0.0007
2916
160 -18.05890 -0.9396 0.3420 0.0007
2917
161 -17.86099 0.9396 -0.3421 -0.0030
2918
162 -17.86099 -0.9396 0.3421 0.0030
2919
163 -17.44162 0.9395 -0.3419 -0.0004
2920
164 -17.44162 -0.9395 0.3419 0.0004
2921
165 -17.19000 0.9395 -0.3420 -0.0013
2922
166 -17.19000 -0.9395 0.3420 0.0013
2923
167 -17.07076 0.9395 -0.3418 -0.0008
2924
168 -17.07076 -0.9395 0.3418 0.0008
2925
169 -14.82705 0.9396 -0.3418 0.0018
2926
170 -14.82705 -0.9396 0.3418 -0.0018
2927
171 -14.58359 -0.9405 0.3393 0.0032
2928
172 -14.58359 0.9405 -0.3393 -0.0032
2929
173 -14.39232 -0.9396 0.3418 0.0003
2930
174 -14.39232 0.9396 -0.3418 -0.0003
2931
175 -13.40698 0.9393 -0.3431 -0.0043
2932
176 -13.40698 -0.9393 0.3431 0.0043
2933
177 -13.20775 -0.9393 0.3431 0.0000
2934
178 -13.20775 0.9393 -0.3431 -0.0000
2935
179 -13.09397 -0.9397 0.3419 -0.0017
2936
180 -13.09397 0.9397 -0.3419 0.0017
2937
181 -7.66516 0.8013 -0.3516 -0.1090
2938
182 -7.66516 -0.8013 0.3516 0.1090
2939
183 -7.45082 0.7670 -0.2920 -0.0176
2940
184 -7.45082 -0.7670 0.2920 0.0176
2941
185 -7.25767 0.5767 -0.2099 0.0004
2942
186 -7.25767 -0.5767 0.2099 -0.0004
2943
187 -6.88535 0.4827 -0.1629 0.0024
2944
188 -6.88535 -0.4827 0.1629 -0.0024
2945
189 -6.84311 0.1760 -0.0615 0.0039
2946
190 -6.84311 -0.1760 0.0615 -0.0039
2947
191 -6.62526 -0.3930 0.1426 -0.0020
2948
192 -6.62523 0.3931 -0.1426 0.0020
2949
193 -6.59187 0.3150 -0.1141 0.0051
2950
194 -6.59184 -0.3151 0.1141 -0.0051
2951
195 -6.45859 -0.2864 0.1490 -0.0640
2952
196 -6.45858 0.3081 -0.1269 0.1095
2953
197 -6.45453 0.0372 0.0124 0.1993
2954
198 -6.45453 -0.0397 -0.0114 -0.2005
2955
199 -6.39877 -0.0019 0.0015 -0.0412
2956
200 -6.39877 -0.0035 0.0004 0.0412
2957
201 -6.39546 0.0156 0.0018 0.0023
2958
202 -6.39545 -0.0161 -0.0015 -0.0022
2959
203 -6.27942 -0.2947 0.1062 -0.0018
2960
204 -6.27941 0.3003 -0.1081 0.0017
2961
205 -6.23465 0.2810 -0.1009 -0.0039
2962
206 -6.23465 -0.2741 0.0986 0.0040
2963
207 -6.06768 0.3168 -0.1186 -0.0073
2964
208 -6.06767 -0.3207 0.1201 0.0073
2965
209 -5.98899 -0.2751 0.1014 0.0377
2966
210 -5.98899 0.2724 -0.1004 -0.0376
2967
211 -5.95364 0.0017 -0.0101 -0.6017
2968
212 -5.95364 -0.0032 0.0107 0.6016
2969
213 -5.89538 -0.0028 0.0029 -0.6361
2970
214 -5.89538 0.0034 -0.0031 0.6361
2971
215 -5.78436 -0.1569 0.0561 0.0060
2972
216 -5.78436 0.1569 -0.0562 -0.0060
2973
217 -5.68804 0.0776 -0.0290 0.0009
2974
218 -5.68804 -0.0770 0.0286 -0.0010
2975
219 -5.42691 -0.7799 0.2826 0.0172
2976
220 -5.42686 0.7554 -0.2737 -0.0164
2977
221 -5.40440 0.1060 -0.0378 -0.0578
2978
222 -5.40437 -0.0853 0.0302 0.0568
2979
223 -5.36653 0.3866 -0.1521 -0.0815
2980
224 -5.36652 -0.3810 0.1500 0.0815
2981
225 -5.34620 0.0871 -0.0365 0.1147
2982
226 -5.34620 -0.0883 0.0369 -0.1145
2983
227 -5.28001 -0.0017 0.0016 0.6239
2984
228 -5.28001 0.0012 -0.0014 -0.6239
2985
229 -5.25001 0.0020 -0.0024 0.7391
2986
230 -5.25001 -0.0017 0.0023 -0.7392
2987
231 -5.01420 0.6192 -0.2394 -0.0102
2988
232 -5.01420 -0.6200 0.2396 0.0102
2989
233 -4.82865 0.5546 -0.2005 0.0008
2990
234 -4.82864 -0.5367 0.1939 -0.0008
2991
235 -4.77471 -0.5572 0.2046 0.0015
2992
236 -4.77470 0.5374 -0.1974 -0.0014
2993
237 -4.38161 -0.6410 0.2341 0.0023
2994
238 -4.38160 0.6382 -0.2330 -0.0023
2995
239 -4.24213 -0.4363 0.1594 0.0012
2996
240 -4.24213 0.4346 -0.1587 -0.0012
2997
241 -3.99106 0.2923 -0.1059 -0.0008
2998
242 -3.99106 -0.2941 0.1066 0.0008
2999
243 -3.84188 0.2703 -0.0967 -0.0058
3000
244 -3.84188 -0.2726 0.0976 0.0058
3001
245 -3.75712 -0.2638 0.0961 0.0032
3002
246 -3.75712 0.2597 -0.0944 -0.0032
3003
247 -2.98053 -0.4430 0.1616 0.0006
3004
248 -2.98053 0.4465 -0.1629 -0.0006
3005
249 -2.79739 -0.4441 0.1581 0.0032
3006
250 -2.79739 0.4464 -0.1591 -0.0032
3007
251 -2.59645 -0.4728 0.1730 -0.0004
3008
252 -2.59644 0.4742 -0.1737 0.0004
3009
253 -2.17608 -0.0002 -0.0004 -0.5252
3010
254 -2.17608 -0.0014 0.0009 0.5252
3011
255 -2.03659 -0.0019 0.0009 0.4053
3012
256 -2.03659 -0.0001 -0.0001 -0.4053
3013
257 -1.92635 -0.0013 0.0006 0.4534
3014
258 -1.92635 -0.0008 0.0001 -0.4533
3015
259 -1.32853 -0.5442 0.2183 -0.0038
3016
260 -1.32853 0.5470 -0.2193 0.0038
3017
261 -1.16533 0.5361 -0.1999 -0.0106
3018
262 -1.16533 -0.5342 0.1991 0.0106
3019
263 -1.07996 -0.0107 0.0012 0.0410
3020
264 -1.07996 0.0111 -0.0013 -0.0410
3021
265 -1.00856 0.5413 -0.2054 -0.0135
3022
266 -1.00856 -0.5395 0.2047 0.0135
3023
267 -0.96021 -0.0121 0.0145 0.3013
3024
268 -0.96021 0.0128 -0.0147 -0.3013
3025
269 -0.89542 -0.0018 0.0017 -0.4824
3026
270 -0.89542 0.0016 -0.0016 0.4824
3027
271 5.79077 1.0311 -0.3754 -0.0001
3028
272 5.79077 -1.0319 0.3757 0.0001
3029
273 6.10218 0.9963 -0.3623 -0.0001
3030
274 6.10218 -0.9973 0.3626 0.0000
3031
275 6.29161 1.0845 -0.3935 -0.0077
3032
276 6.29161 -1.0855 0.3938 0.0077
3033
277 6.93488 1.3716 -0.4994 -0.0090
3034
278 6.93488 -1.3696 0.4987 0.0090
3035
279 7.01688 1.4421 -0.5261 -0.0034
3036
280 7.01688 -1.4400 0.5253 0.0034
3037
281 7.22958 1.2038 -0.4377 0.0003
3038
282 7.22958 -1.2037 0.4377 -0.0003
3039
283 7.49591 -1.1774 0.4296 0.0025
3040
284 7.49591 1.1755 -0.4289 -0.0025
3041
285 7.62586 -1.2470 0.4533 0.0162
3042
286 7.62586 1.2453 -0.4527 -0.0162
3043
287 8.17015 1.5778 -0.5744 0.0096
3044
288 8.17016 -1.5766 0.5740 -0.0096
3045
289 9.13983 1.2972 -0.4712 -0.0482
3046
290 9.13984 -1.2936 0.4700 0.0481
3047
291 9.39341 -0.1194 0.0442 0.0791
3048
292 9.39344 0.1183 -0.0439 -0.0789
3049
293 9.53547 -0.0221 0.0215 -1.1079
3050
294 9.53547 0.0221 -0.0215 1.1077
3051
295 9.68209 1.2861 -0.4693 -0.1395
3052
296 9.68209 -1.2818 0.4677 0.1394
3053
297 9.82357 -0.0149 0.0055 -0.0558
3054
298 9.82357 0.0132 -0.0049 0.0558
3055
299 10.01971 0.0027 -0.0074 1.0882
3056
300 10.01971 -0.0030 0.0075 -1.0881
3057
301 10.37764 -0.9273 0.3380 0.0121
3058
302 10.37767 0.9310 -0.3393 -0.0121
3059
303 10.51259 -0.5864 0.2096 -0.2408
3060
304 10.51261 0.5858 -0.2094 0.2403
3061
305 10.64116 1.0561 -0.3848 0.2047
3062
306 10.64118 -1.0549 0.3844 -0.2042
3063
307 11.53331 -1.0953 0.3987 -0.0437
3064
308 11.53333 1.0917 -0.3975 0.0436
3065
309 11.81246 -0.5563 0.2023 -0.1034
3066
310 11.81247 0.5574 -0.2027 0.1033
3067
311 12.14115 0.7936 -0.2894 0.0618
3068
312 12.14120 -0.7918 0.2888 -0.0616
3069
313 12.89873 -0.0482 0.0154 -0.0070
3070
314 12.89874 0.0394 -0.0123 0.0067
3071
315 13.11164 -0.0018 -0.0532 0.8353
3072
316 13.11164 0.0052 0.0520 -0.8352
3073
317 13.46324 -0.0191 0.0068 -0.0370
3074
318 13.46324 0.0183 -0.0066 0.0370
3075
319 14.20760 -0.0268 0.0118 0.2829
3076
320 14.20760 0.0266 -0.0117 -0.2829
3077
321 14.71849 0.0132 -0.0028 0.2687
3078
322 14.71849 -0.0145 0.0033 -0.2687
3079
323 14.81632 0.1065 -0.0380 0.0121
3080
324 14.81636 -0.1048 0.0374 -0.0120
3081
325 14.96785 -0.1756 0.0620 0.0642
3082
326 14.96789 0.1739 -0.0614 -0.0644
3083
327 15.05355 0.5501 -0.1907 -0.0688
3084
328 15.05357 -0.5543 0.1922 0.0687
3085
329 15.19601 0.3180 -0.0820 0.6428
3086
330 15.19604 -0.3051 0.0770 -0.6426
3087
331 15.19864 -0.0133 0.0010 -0.6633
3088
332 15.19866 -0.0010 0.0046 0.6632
3089
333 15.31947 -0.0226 0.0084 0.1181
3090
334 15.31948 0.0237 -0.0088 -0.1181
3091
335 15.82480 0.0025 -0.0032 -0.5992
3092
336 15.82480 -0.0025 0.0032 0.5992
3093
337 16.24874 -0.9280 0.3357 0.0050
3094
338 16.24875 0.9321 -0.3372 -0.0050
3095
339 16.62884 -0.6275 0.2288 -0.0044
3096
340 16.62884 0.6317 -0.2304 0.0044
3097
341 17.18374 0.3181 -0.1162 -0.0088
3098
342 17.18374 -0.3195 0.1168 0.0088
3099
343 17.55407 -0.0052 0.0046 0.8469
3100
344 17.55407 0.0016 -0.0033 -0.8469
3101
345 17.75057 1.1137 -0.4180 0.0271
3102
346 17.75058 -1.1093 0.4163 -0.0271
3103
347 18.23478 0.1907 -0.0682 -0.1149
3104
348 18.23478 -0.1906 0.0682 0.1149
3105
349 18.53849 -0.0046 0.0006 0.8151
3106
350 18.53850 0.0035 -0.0002 -0.8152
3107
351 18.76555 -0.0006 0.0006 -0.9480
3108
352 18.76555 0.0005 -0.0006 0.9482
3109
353 19.21118 0.0154 -0.0040 0.7416
3110
354 19.21119 0.0164 -0.0076 -0.7415
3111
355 19.24866 0.0258 -0.0043 0.0922
3112
356 19.24866 -0.0596 0.0166 -0.0924
3113
357 19.44127 -0.0178 0.0052 0.0193
3114
358 19.44127 0.0179 -0.0052 -0.0194
3115
359 19.75416 0.0012 -0.0049 1.1597
3116
360 19.75416 -0.0006 0.0047 -1.1597
3117
361 20.20255 0.0000 0.0005 0.5925
3118
362 20.20255 0.0005 -0.0007 -0.5925
3119
363 20.51025 -0.0118 0.0039 -1.1275
3120
364 20.51025 0.0123 -0.0040 1.1275
3121
365 21.07647 -0.0032 0.0050 0.5564
3122
366 21.07647 0.0035 -0.0051 -0.5563
3123
367 21.26308 0.7323 -0.2695 0.0199
3124
368 21.26309 -0.7313 0.2692 -0.0199
3125
369 21.33945 -0.6979 0.2545 -0.0071
3126
370 21.33946 0.6965 -0.2541 0.0071
3127
371 21.78861 -0.7395 0.2694 -0.0001
3128
372 21.78861 0.7392 -0.2693 0.0001
3129
373 25.90995 1.1533 -0.4200 0.0025
3130
374 25.90995 -1.1530 0.4199 -0.0025
3131
375 27.95818 -1.0913 0.3995 0.0044
3132
376 27.95818 1.0909 -0.3994 -0.0044
3133
377 31.13796 1.0904 -0.3967 0.0000
3134
378 31.13796 -1.0908 0.3969 -0.0000
3135
379 39.40581 -0.6561 0.2388 -0.0003
3136
380 39.40581 0.6557 -0.2387 0.0003
3137
381 42.22538 0.7959 -0.2913 0.0059
3138
382 42.22538 -0.7960 0.2913 -0.0059
3139
383 46.54510 -0.8460 0.3081 -0.0035
3140
384 46.54510 0.8461 -0.3081 0.0035
3141
385 50.27645 0.8186 -0.2980 0.0075
3142
386 50.27645 -0.8186 0.2980 -0.0075
3143
387 52.16722 0.7649 -0.2788 0.0025
3144
388 52.16722 -0.7650 0.2788 -0.0025
3145
389 53.96639 0.7340 -0.2672 0.0275
3146
390 53.96639 -0.7340 0.2672 -0.0275
3147
3148
k-point 9 ( 0.000837 0.004748 0.000000 ) (Bohr^-1)
3149
ie e(eV) Sx Sy Sz
3150
1 -51.72595 0.3007 0.2508 0.0687
3151
2 -51.72595 -0.3006 -0.2508 -0.0687
3152
3 -51.67056 -0.3639 0.0782 -0.0290
3153
4 -51.67053 0.3613 -0.0765 0.0300
3154
5 -51.66991 0.3939 -0.0663 -0.0115
3155
6 -51.66985 -0.3941 0.0661 0.0114
3156
7 -51.66906 0.2038 -0.1287 -0.0834
3157
8 -51.66888 -0.2195 0.1385 0.1056
3158
9 -51.66713 -0.0394 0.0220 -0.2693
3159
10 -51.66702 0.0569 -0.0334 0.2485
3160
11 -51.66347 -0.3313 0.0273 -0.0067
3161
12 -51.66337 0.3306 -0.0270 0.0050
3162
13 -51.65083 -0.0479 0.0202 -0.4312
3163
14 -51.65080 0.0513 -0.0208 0.4304
3164
15 -51.62123 0.0290 -0.0155 0.3795
3165
16 -51.62122 -0.0308 0.0158 -0.3792
3166
17 -51.61745 -0.1833 -0.0867 0.0816
3167
18 -51.61731 0.1843 0.0879 -0.0786
3168
19 -51.61431 -0.3933 0.1823 -0.0995
3169
20 -51.61414 0.3979 -0.1849 0.0954
3170
21 -51.61141 -0.1383 0.2393 0.1197
3171
22 -51.61138 0.1443 -0.2413 -0.1215
3172
23 -51.60396 0.0246 -0.0145 0.3030
3173
24 -51.60393 -0.0313 0.0166 -0.3012
3174
25 -51.60082 0.0285 -0.0161 0.3410
3175
26 -51.60079 -0.0349 0.0176 -0.3399
3176
27 -51.58233 -0.0543 0.0245 -0.1203
3177
28 -51.58232 0.0558 -0.0248 0.1203
3178
29 -51.26116 -0.2403 0.1070 0.0364
3179
30 -51.26100 0.2532 -0.1106 -0.0423
3180
31 -51.25337 0.0916 -0.0325 0.4345
3181
32 -51.25327 -0.1044 0.0360 -0.4286
3182
33 -51.25218 0.3592 -0.0800 -0.0278
3183
34 -51.25208 -0.3630 0.0807 0.0282
3184
35 -51.22184 -0.0318 0.0169 -0.3924
3185
36 -51.22182 0.0354 -0.0176 0.3920
3186
37 -50.84149 -0.5205 -0.0505 0.0092
3187
38 -50.84149 0.5205 0.0505 -0.0092
3188
39 -50.80217 -0.1633 0.0787 0.2398
3189
40 -50.80215 0.1623 -0.0785 -0.2402
3190
41 -50.78400 0.4690 0.1482 -0.0630
3191
42 -50.78393 -0.4523 -0.1567 0.0762
3192
43 -50.78354 -0.4735 -0.1363 0.0558
3193
44 -50.78347 0.4439 0.1553 -0.0880
3194
45 -50.78294 -0.0121 0.0240 0.3653
3195
46 -50.78292 0.0275 -0.0348 -0.3448
3196
47 -50.77955 -0.0011 0.0675 -0.1660
3197
48 -50.77944 0.0052 -0.0730 0.1646
3198
49 -50.76956 -0.6701 0.3171 0.1027
3199
50 -50.76935 0.6777 -0.3120 -0.0956
3200
51 -50.76475 0.1468 -0.0946 -0.2343
3201
52 -50.76460 -0.1560 0.0955 0.2282
3202
53 -50.75072 0.4710 -0.2078 -0.0323
3203
54 -50.75052 -0.4712 0.2119 0.0255
3204
55 -50.74879 -0.0275 0.0167 0.4752
3205
56 -50.74875 0.0064 -0.0044 -0.4889
3206
57 -50.74856 -0.1174 0.0579 -0.2185
3207
58 -50.74850 0.1477 -0.0787 0.2309
3208
59 -50.74818 -0.2557 0.1211 0.0650
3209
60 -50.74813 0.2390 -0.1163 -0.0584
3210
61 -50.73809 0.0371 0.0379 -0.4469
3211
62 -50.73808 -0.0357 -0.0378 0.4461
3212
63 -50.73672 0.1277 0.0050 -0.1393
3213
64 -50.73667 -0.1264 -0.0058 0.1421
3214
65 -50.71705 0.2139 -0.1073 0.3443
3215
66 -50.71697 -0.2151 0.1093 -0.3502
3216
67 -50.71108 -0.5231 0.2000 -0.1647
3217
68 -50.71101 0.5214 -0.2013 0.1683
3218
69 -50.70752 -0.0791 0.0135 0.3902
3219
70 -50.70748 0.0817 -0.0138 -0.3900
3220
71 -50.69744 0.0523 0.0266 -0.8295
3221
72 -50.69740 -0.0562 -0.0264 0.8322
3222
73 -50.69359 -0.1062 0.0100 0.3357
3223
74 -50.69353 0.1109 -0.0106 -0.3347
3224
75 -50.69157 0.4586 -0.1273 0.2250
3225
76 -50.69153 -0.4572 0.1276 -0.2276
3226
77 -50.67064 0.0771 0.0007 -0.5176
3227
78 -50.67063 -0.0778 -0.0006 0.5174
3228
79 -50.37978 0.4738 -0.0359 -0.0163
3229
80 -50.37966 -0.4751 0.0356 0.0163
3230
81 -50.36792 -0.1449 0.0042 -0.0441
3231
82 -50.36782 0.1366 -0.0020 0.0450
3232
83 -50.36315 -0.4036 -0.0013 0.0565
3233
84 -50.36303 0.4044 0.0020 -0.0576
3234
85 -50.34546 0.3365 -0.1802 0.0465
3235
86 -50.34532 -0.3285 0.1787 -0.0443
3236
87 -50.34024 -0.0870 -0.0539 -0.1348
3237
88 -50.34013 0.0964 0.0519 0.1339
3238
89 -50.32250 0.2022 -0.0423 -0.1587
3239
90 -50.32235 -0.2108 0.0432 0.1576
3240
91 -29.08020 -0.0008 0.0005 0.4206
3241
92 -29.08020 0.0008 -0.0005 -0.4206
3242
93 -29.07569 0.0024 -0.0008 -0.1047
3243
94 -29.07569 -0.0007 0.0004 0.1047
3244
95 -29.07495 -0.0024 0.0008 0.0234
3245
96 -29.07495 0.0006 -0.0004 -0.0235
3246
97 -29.06417 0.0016 0.0013 0.2751
3247
98 -29.06417 -0.0014 -0.0013 -0.2751
3248
99 -29.05159 0.3958 -0.0685 -0.0001
3249
100 -29.05159 -0.3959 0.0686 0.0001
3250
101 -29.04910 -0.3945 0.0683 -0.0009
3251
102 -29.04909 0.3945 -0.0683 0.0009
3252
103 -29.04705 -0.3945 0.0626 0.0006
3253
104 -29.04705 0.3945 -0.0626 -0.0006
3254
105 -29.03333 0.3924 -0.0663 -0.0003
3255
106 -29.03333 -0.3924 0.0663 0.0003
3256
107 -29.02457 -0.0072 0.0013 0.1624
3257
108 -29.02457 -0.0017 0.0003 -0.1624
3258
109 -29.02455 0.0067 -0.0012 -0.1623
3259
110 -29.02455 0.0023 -0.0004 0.1623
3260
111 -29.00455 0.3870 -0.0649 -0.0004
3261
112 -29.00454 -0.3870 0.0649 0.0004
3262
113 -29.00425 -0.3980 0.0669 0.0004
3263
114 -29.00424 0.3980 -0.0669 -0.0004
3264
115 -26.15001 -0.1125 0.0120 0.0020
3265
116 -26.15001 0.1125 -0.0120 -0.0020
3266
117 -26.13654 -0.1100 0.0340 -0.0322
3267
118 -26.13654 0.1093 -0.0339 0.0322
3268
119 -26.13444 0.1084 -0.0290 0.0143
3269
120 -26.13444 -0.1078 0.0289 -0.0143
3270
121 -26.10100 -0.0386 0.0311 0.0011
3271
122 -26.10100 0.0381 -0.0310 -0.0011
3272
123 -26.08895 -0.0142 0.0186 0.4813
3273
124 -26.08895 0.0147 -0.0186 -0.4813
3274
125 -26.08453 0.0225 -0.0060 -0.5630
3275
126 -26.08453 -0.0218 0.0059 0.5631
3276
127 -26.08420 -0.0207 0.0071 0.5364
3277
128 -26.08420 0.0184 -0.0066 -0.5367
3278
129 -26.08233 0.1565 -0.0938 -0.0697
3279
130 -26.08232 -0.1547 0.0934 0.0699
3280
131 -26.07528 -0.3899 0.0536 -0.0129
3281
132 -26.07528 0.3903 -0.0537 0.0129
3282
133 -26.07090 0.3871 -0.0395 0.0251
3283
134 -26.07089 -0.3878 0.0396 -0.0251
3284
135 -26.06389 -0.1506 0.0231 0.1595
3285
136 -26.06388 0.1527 -0.0239 -0.1627
3286
137 -26.06365 0.1156 -0.0083 -0.1753
3287
138 -26.06364 -0.1155 0.0086 0.1771
3288
139 -26.06319 0.0639 -0.0062 0.2646
3289
140 -26.06319 -0.0663 0.0067 -0.2632
3290
141 -26.04947 -0.5314 0.0803 0.0006
3291
142 -26.04947 0.5314 -0.0803 -0.0006
3292
143 -26.03387 -0.0236 0.0101 0.4089
3293
144 -26.03387 0.0190 -0.0091 -0.4090
3294
145 -26.03372 0.0200 -0.0092 -0.4105
3295
146 -26.03372 -0.0152 0.0082 0.4106
3296
147 -26.02147 0.4778 -0.0617 -0.0030
3297
148 -26.02147 -0.4780 0.0617 0.0030
3298
149 -26.02092 -0.5221 0.0706 0.0024
3299
150 -26.02091 0.5222 -0.0706 -0.0024
3300
151 -18.92799 0.9807 -0.1700 -0.0967
3301
152 -18.92799 -0.9807 0.1700 0.0967
3302
153 -18.85206 0.9848 -0.1736 -0.0019
3303
154 -18.85206 -0.9848 0.1736 0.0019
3304
155 -18.83205 -0.9848 0.1737 -0.0022
3305
156 -18.83205 0.9848 -0.1737 0.0022
3306
157 -18.27504 0.9848 -0.1734 -0.0002
3307
158 -18.27504 -0.9848 0.1734 0.0002
3308
159 -18.05890 0.9847 -0.1736 -0.0006
3309
160 -18.05890 -0.9847 0.1736 0.0006
3310
161 -17.86099 0.9847 -0.1738 -0.0027
3311
162 -17.86099 -0.9847 0.1738 0.0027
3312
163 -17.44162 0.9846 -0.1736 -0.0004
3313
164 -17.44162 -0.9846 0.1736 0.0004
3314
165 -17.19000 0.9846 -0.1737 -0.0012
3315
166 -17.19000 -0.9846 0.1737 0.0012
3316
167 -17.07076 0.9846 -0.1734 -0.0008
3317
168 -17.07076 -0.9846 0.1734 0.0008
3318
169 -14.82705 0.9848 -0.1731 0.0016
3319
170 -14.82705 -0.9848 0.1731 -0.0016
3320
171 -14.58359 -0.9854 0.1695 0.0027
3321
172 -14.58359 0.9854 -0.1695 -0.0027
3322
173 -14.39232 -0.9847 0.1734 0.0002
3323
174 -14.39232 0.9847 -0.1734 -0.0002
3324
175 -13.40698 0.9843 -0.1761 -0.0035
3325
176 -13.40698 -0.9843 0.1761 0.0035
3326
177 -13.20775 -0.9844 0.1758 -0.0006
3327
178 -13.20775 0.9844 -0.1758 0.0006
3328
179 -13.09397 -0.9848 0.1734 -0.0017
3329
180 -13.09397 0.9848 -0.1734 0.0017
3330
181 -7.66516 0.8362 -0.2590 -0.1068
3331
182 -7.66516 -0.8362 0.2590 0.1068
3332
183 -7.45082 0.8041 -0.1650 -0.0139
3333
184 -7.45082 -0.8041 0.1650 0.0139
3334
185 -7.25767 0.6044 -0.1065 0.0001
3335
186 -7.25767 -0.6044 0.1065 -0.0001
3336
187 -6.88535 0.5052 -0.0663 0.0014
3337
188 -6.88535 -0.5052 0.0663 -0.0014
3338
189 -6.84311 0.1845 -0.0279 0.0034
3339
190 -6.84311 -0.1845 0.0279 -0.0034
3340
191 -6.62526 -0.4120 0.0718 -0.0011
3341
192 -6.62523 0.4120 -0.0718 0.0011
3342
193 -6.59187 0.3304 -0.0573 0.0030
3343
194 -6.59184 -0.3304 0.0573 -0.0030
3344
195 -6.45858 -0.2822 0.0961 -0.0371
3345
196 -6.45858 0.3371 -0.0751 0.0683
3346
197 -6.45453 0.0790 0.0187 0.1445
3347
198 -6.45453 -0.0816 -0.0182 -0.1452
3348
199 -6.39881 -0.0046 0.0020 -0.0498
3349
200 -6.39880 -0.0011 -0.0011 0.0498
3350
201 -6.39543 0.0308 0.0047 0.0086
3351
202 -6.39542 -0.0314 -0.0045 -0.0085
3352
203 -6.27942 -0.3089 0.0522 0.0017
3353
204 -6.27941 0.3147 -0.0532 -0.0017
3354
205 -6.23465 0.2948 -0.0495 0.0011
3355
206 -6.23465 -0.2876 0.0483 -0.0011
3356
207 -6.06768 0.3324 -0.0648 -0.0050
3357
208 -6.06767 -0.3365 0.0656 0.0050
3358
209 -5.98899 -0.2882 0.0536 0.0452
3359
210 -5.98899 0.2853 -0.0531 -0.0452
3360
211 -5.95365 -0.0051 -0.0119 -0.5883
3361
212 -5.95365 0.0034 0.0122 0.5883
3362
213 -5.89538 -0.0019 0.0033 -0.6223
3363
214 -5.89538 0.0026 -0.0035 0.6223
3364
215 -5.78436 -0.1645 0.0274 0.0071
3365
216 -5.78436 0.1644 -0.0274 -0.0071
3366
217 -5.68804 0.0814 -0.0156 0.0003
3367
218 -5.68804 -0.0808 0.0154 -0.0003
3368
219 -5.42691 -0.8174 0.1417 0.0101
3369
220 -5.42687 0.7917 -0.1372 -0.0096
3370
221 -5.40439 0.1116 -0.0182 -0.0332
3371
222 -5.40436 -0.0898 0.0144 0.0326
3372
223 -5.36653 0.4063 -0.0920 -0.0475
3373
224 -5.36652 -0.4004 0.0909 0.0474
3374
225 -5.34620 0.0906 -0.0235 0.0675
3375
226 -5.34620 -0.0919 0.0237 -0.0673
3376
227 -5.28001 -0.0013 0.0019 0.6145
3377
228 -5.28001 0.0008 -0.0018 -0.6145
3378
229 -5.25001 0.0009 -0.0028 0.6895
3379
230 -5.25001 -0.0006 0.0028 -0.6895
3380
231 -5.01420 0.6489 -0.1400 -0.0100
3381
232 -5.01420 -0.6497 0.1401 0.0100
3382
233 -4.82865 0.5811 -0.0999 0.0007
3383
234 -4.82864 -0.5624 0.0966 -0.0007
3384
235 -4.77471 -0.5840 0.1063 0.0013
3385
236 -4.77470 0.5633 -0.1026 -0.0013
3386
237 -4.38161 -0.6718 0.1198 0.0019
3387
238 -4.38160 0.6689 -0.1193 -0.0019
3388
239 -4.24213 -0.4572 0.0816 0.0009
3389
240 -4.24213 0.4555 -0.0813 -0.0009
3390
241 -3.99106 0.3063 -0.0533 -0.0008
3391
242 -3.99106 -0.3082 0.0536 0.0008
3392
243 -3.84188 0.2832 -0.0470 -0.0056
3393
244 -3.84188 -0.2856 0.0475 0.0056
3394
245 -3.75712 -0.2765 0.0487 0.0031
3395
246 -3.75712 0.2722 -0.0479 -0.0031
3396
247 -2.98053 -0.4643 0.0826 0.0002
3397
248 -2.98053 0.4680 -0.0832 -0.0002
3398
249 -2.79739 -0.4653 0.0759 0.0029
3399
250 -2.79739 0.4677 -0.0763 -0.0029
3400
251 -2.59645 -0.4955 0.0892 -0.0005
3401
252 -2.59644 0.4970 -0.0895 0.0005
3402
253 -2.17608 -0.0003 -0.0007 -0.5173
3403
254 -2.17608 -0.0013 0.0009 0.5173
3404
255 -2.03659 -0.0020 0.0008 0.3872
3405
256 -2.03659 -0.0001 -0.0004 -0.3872
3406
257 -1.92635 -0.0012 0.0006 0.5754
3407
258 -1.92635 -0.0010 -0.0002 -0.5754
3408
259 -1.32853 -0.5703 0.1354 -0.0075
3409
260 -1.32853 0.5732 -0.1359 0.0075
3410
261 -1.16533 0.5619 -0.1075 -0.0051
3411
262 -1.16533 -0.5600 0.1072 0.0051
3412
263 -1.07996 -0.0104 -0.0016 -0.2830
3413
264 -1.07996 0.0108 0.0015 0.2830
3414
265 -1.00856 0.5675 -0.1149 -0.0061
3415
266 -1.00856 -0.5656 0.1145 0.0061
3416
267 -0.96021 -0.0075 0.0180 0.3819
3417
268 -0.96021 0.0082 -0.0181 -0.3819
3418
269 -0.89542 -0.0015 0.0018 -0.5703
3419
270 -0.89542 0.0012 -0.0017 0.5703
3420
271 5.79077 1.0806 -0.1908 0.0001
3421
272 5.79077 -1.0814 0.1909 -0.0001
3422
273 6.10218 1.0441 -0.1835 0.0001
3423
274 6.10218 -1.0451 0.1836 -0.0001
3424
275 6.29161 1.1365 -0.1980 -0.0081
3425
276 6.29161 -1.1376 0.1981 0.0081
3426
277 6.93488 1.4375 -0.2538 -0.0050
3427
278 6.93488 -1.4354 0.2534 0.0050
3428
279 7.01688 1.5113 -0.2691 -0.0010
3429
280 7.01688 -1.5091 0.2687 0.0010
3430
281 7.22958 1.2616 -0.2216 -0.0000
3431
282 7.22958 -1.2615 0.2216 0.0000
3432
283 7.49591 -1.2339 0.2196 -0.0002
3433
284 7.49591 1.2319 -0.2192 0.0002
3434
285 7.62586 -1.3069 0.2292 0.0113
3435
286 7.62586 1.3051 -0.2289 -0.0113
3436
287 8.17015 1.6536 -0.2918 0.0053
3437
288 8.17016 -1.6523 0.2916 -0.0053
3438
289 9.13982 1.3600 -0.2382 -0.0266
3439
290 9.13984 -1.3563 0.2376 0.0265
3440
291 9.39342 -0.1245 0.0223 0.0455
3441
292 9.39344 0.1233 -0.0221 -0.0454
3442
293 9.53547 -0.0188 0.0251 -1.0815
3443
294 9.53547 0.0188 -0.0251 1.0814
3444
295 9.68208 1.3528 -0.2402 -0.0746
3445
296 9.68209 -1.3484 0.2395 0.0746
3446
297 9.82357 -0.0155 0.0026 -0.0281
3447
298 9.82357 0.0137 -0.0023 0.0280
3448
299 10.01970 -0.0054 -0.0094 1.0499
3449
300 10.01970 0.0052 0.0095 -1.0498
3450
301 10.37769 -0.9716 0.1713 0.0080
3451
302 10.37771 0.9755 -0.1720 -0.0080
3452
303 10.51251 -0.6251 0.1076 -0.1398
3453
304 10.51253 0.6246 -0.1076 0.1395
3454
305 10.64119 1.1186 -0.1966 0.1179
3455
306 10.64121 -1.1174 0.1964 -0.1176
3456
307 11.53331 -1.1484 0.2026 -0.0255
3457
308 11.53334 1.1446 -0.2019 0.0255
3458
309 11.81248 -0.5850 0.1031 -0.0627
3459
310 11.81249 0.5862 -0.1033 0.0627
3460
311 12.14113 0.8320 -0.1473 0.0372
3461
312 12.14117 -0.8301 0.1469 -0.0370
3462
313 12.89873 -0.0529 0.0077 -0.0006
3463
314 12.89875 0.0436 -0.0062 0.0004
3464
315 13.11164 -0.0553 -0.0744 0.2955
3465
316 13.11164 0.0589 0.0738 -0.2954
3466
317 13.46324 -0.0200 0.0033 -0.0325
3467
318 13.46324 0.0191 -0.0032 0.0325
3468
319 14.20760 -0.0284 0.0078 0.2681
3469
320 14.20760 0.0281 -0.0078 -0.2680
3470
321 14.71849 0.0141 -0.0005 0.2712
3471
322 14.71849 -0.0155 0.0007 -0.2713
3472
323 14.81631 0.1119 -0.0185 0.0062
3473
324 14.81635 -0.1101 0.0182 -0.0062
3474
325 14.96785 -0.1844 0.0291 0.0370
3475
326 14.96790 0.1827 -0.0288 -0.0371
3476
327 15.05356 0.5829 -0.0875 -0.0400
3477
328 15.05358 -0.5873 0.0883 0.0399
3478
329 15.19600 0.3391 -0.0124 0.3471
3479
330 15.19603 -0.3258 0.0095 -0.3470
3480
331 15.19864 -0.0186 -0.0024 -0.3485
3481
332 15.19867 0.0038 0.0056 0.3485
3482
333 15.31947 -0.0237 0.0043 0.0850
3483
334 15.31948 0.0247 -0.0045 -0.0850
3484
335 15.82480 0.0007 -0.0031 -0.6827
3485
336 15.82480 -0.0008 0.0032 0.6827
3486
337 16.24874 -0.9725 0.1677 0.0045
3487
338 16.24875 0.9768 -0.1685 -0.0045
3488
339 16.62884 -0.6577 0.1167 -0.0016
3489
340 16.62884 0.6620 -0.1175 0.0016
3490
341 17.18374 0.3333 -0.0598 -0.0105
3491
342 17.18374 -0.3348 0.0601 0.0105
3492
343 17.55407 -0.0035 0.0047 0.8589
3493
344 17.55407 -0.0002 -0.0040 -0.8589
3494
345 17.75057 1.1663 -0.2330 0.0316
3495
346 17.75058 -1.1617 0.2321 -0.0316
3496
347 18.23478 0.2000 -0.0332 -0.1219
3497
348 18.23479 -0.1999 0.0333 0.1219
3498
349 18.53850 -0.0062 0.0005 0.8160
3499
350 18.53850 0.0050 -0.0003 -0.8160
3500
351 18.76555 -0.0002 0.0006 -0.9481
3501
352 18.76555 0.0001 -0.0006 0.9482
3502
353 19.21118 0.0170 -0.0004 0.6913
3503
354 19.21119 0.0163 -0.0055 -0.6913
3504
355 19.24866 0.0264 0.0031 0.1265
3505
356 19.24866 -0.0619 0.0032 -0.1266
3506
357 19.44127 -0.0194 0.0013 -0.0012
3507
358 19.44127 0.0195 -0.0013 0.0012
3508
359 19.75416 -0.0022 -0.0042 1.1189
3509
360 19.75416 0.0029 0.0041 -1.1189
3510
361 20.20255 0.0008 0.0009 0.5382
3511
362 20.20255 -0.0003 -0.0010 -0.5382
3512
363 20.51025 -0.0135 0.0015 -1.0638
3513
364 20.51025 0.0140 -0.0015 1.0638
3514
365 21.07647 0.0000 0.0041 0.6296
3515
366 21.07647 0.0003 -0.0041 -0.6296
3516
367 21.26308 0.7676 -0.1408 0.0116
3517
368 21.26309 -0.7665 0.1406 -0.0116
3518
369 21.33945 -0.7315 0.1298 -0.0032
3519
370 21.33946 0.7300 -0.1295 0.0032
3520
371 21.78861 -0.7750 0.1372 -0.0000
3521
372 21.78861 0.7747 -0.1371 0.0000
3522
373 25.90995 1.2086 -0.2136 0.0039
3523
374 25.90995 -1.2084 0.2135 -0.0039
3524
375 27.95818 -1.1437 0.2059 0.0036
3525
376 27.95818 1.1433 -0.2059 -0.0036
3526
377 31.13796 1.1427 -0.2011 -0.0003
3527
378 31.13796 -1.1432 0.2012 0.0003
3528
379 39.40581 -0.6876 0.1213 -0.0003
3529
380 39.40581 0.6872 -0.1212 0.0003
3530
381 42.22538 0.8341 -0.1500 0.0064
3531
382 42.22538 -0.8342 0.1500 -0.0064
3532
383 46.54510 -0.8866 0.1566 -0.0027
3533
384 46.54510 0.8867 -0.1566 0.0027
3534
385 50.27645 0.8579 -0.1514 0.0047
3535
386 50.27645 -0.8580 0.1514 -0.0047
3536
387 52.16722 0.8017 -0.1421 0.0010
3537
388 52.16722 -0.8017 0.1421 -0.0010
3538
389 53.96639 0.7695 -0.1357 0.0171
3539
390 53.96639 -0.7696 0.1357 -0.0171
3540
3541
k-point 10 ( -0.000000 0.004821 0.000000 ) (Bohr^-1)
3542
ie e(eV) Sx Sy Sz
3543
1 -51.72595 0.2884 0.3088 0.0484
3544
2 -51.72595 -0.2883 -0.3088 -0.0484
3545
3 -51.67056 -0.3791 0.0192 -0.0275
3546
4 -51.67053 0.3767 -0.0175 0.0284
3547
5 -51.66991 0.4053 0.0042 -0.0108
3548
6 -51.66985 -0.4055 -0.0045 0.0107
3549
7 -51.66905 0.2012 -0.1339 -0.0847
3550
8 -51.66889 -0.2154 0.1433 0.1052
3551
9 -51.66713 -0.0385 0.0210 -0.2592
3552
10 -51.66702 0.0542 -0.0321 0.2399
3553
11 -51.66347 -0.3403 -0.0409 -0.0064
3554
12 -51.66337 0.3396 0.0411 0.0049
3555
13 -51.65083 -0.0481 0.0161 -0.4243
3556
14 -51.65080 0.0516 -0.0161 0.4236
3557
15 -51.62123 0.0284 -0.0143 0.3810
3558
16 -51.62122 -0.0302 0.0143 -0.3807
3559
17 -51.61745 -0.2169 -0.1599 0.0763
3560
18 -51.61731 0.2182 0.1618 -0.0735
3561
19 -51.61430 -0.3784 0.1520 -0.0931
3562
20 -51.61414 0.3825 -0.1544 0.0893
3563
21 -51.61141 -0.0901 0.2852 0.1108
3564
22 -51.61138 0.0960 -0.2864 -0.1125
3565
23 -51.60396 0.0222 -0.0132 0.2682
3566
24 -51.60393 -0.0288 0.0145 -0.2665
3567
25 -51.60082 0.0273 -0.0151 0.3305
3568
26 -51.60079 -0.0337 0.0157 -0.3296
3569
27 -51.58233 -0.0532 0.0202 -0.1188
3570
28 -51.58232 0.0548 -0.0203 0.1188
3571
29 -51.26115 -0.2484 0.0930 0.0365
3572
30 -51.26100 0.2612 -0.0947 -0.0420
3573
31 -51.25336 0.0930 -0.0224 0.4194
3574
32 -51.25327 -0.1057 0.0241 -0.4140
3575
33 -51.25218 0.3748 -0.0229 -0.0266
3576
34 -51.25208 -0.3787 0.0231 0.0269
3577
35 -51.22184 -0.0312 0.0156 -0.3904
3578
36 -51.22182 0.0349 -0.0158 0.3901
3579
37 -50.84149 -0.5297 -0.1781 0.0076
3580
38 -50.84149 0.5297 0.1781 -0.0076
3581
39 -50.80217 -0.1546 0.0664 0.2215
3582
40 -50.80215 0.1536 -0.0665 -0.2218
3583
41 -50.78401 0.4746 0.2732 -0.0509
3584
42 -50.78393 -0.4591 -0.2805 0.0629
3585
43 -50.78354 -0.4796 -0.2620 0.0450
3586
44 -50.78346 0.4529 0.2803 -0.0744
3587
45 -50.78294 -0.0087 0.0313 0.3593
3588
46 -50.78292 0.0223 -0.0423 -0.3405
3589
47 -50.77955 0.0154 0.0950 -0.1625
3590
48 -50.77944 -0.0124 -0.1014 0.1613
3591
49 -50.76956 -0.6698 0.2787 0.0996
3592
50 -50.76936 0.6791 -0.2701 -0.0931
3593
51 -50.76474 0.1445 -0.0988 -0.2333
3594
52 -50.76461 -0.1541 0.0978 0.2276
3595
53 -50.75072 0.4754 -0.1753 -0.0311
3596
54 -50.75053 -0.4746 0.1808 0.0248
3597
55 -50.74879 -0.0262 0.0163 0.4754
3598
56 -50.74875 0.0068 -0.0050 -0.4880
3599
57 -50.74856 -0.1155 0.0522 -0.2036
3600
58 -50.74850 0.1435 -0.0732 0.2150
3601
59 -50.74818 -0.2327 0.0976 0.0602
3602
60 -50.74813 0.2153 -0.0945 -0.0542
3603
61 -50.73809 0.0460 0.0566 -0.3975
3604
62 -50.73807 -0.0445 -0.0562 0.3967
3605
63 -50.73672 0.1426 0.0383 -0.1339
3606
64 -50.73667 -0.1415 -0.0391 0.1366
3607
65 -50.71704 0.2164 -0.0996 0.3414
3608
66 -50.71697 -0.2171 0.1019 -0.3469
3609
67 -50.71108 -0.5305 0.1500 -0.1591
3610
68 -50.71101 0.5285 -0.1520 0.1624
3611
69 -50.70752 -0.0818 -0.0006 0.3565
3612
70 -50.70748 0.0844 0.0008 -0.3563
3613
71 -50.69744 0.0587 0.0456 -0.7281
3614
72 -50.69740 -0.0629 -0.0464 0.7305
3615
73 -50.69359 -0.1082 -0.0114 0.2985
3616
74 -50.69353 0.1130 0.0117 -0.2976
3617
75 -50.69157 0.4784 -0.0646 0.2189
3618
76 -50.69153 -0.4769 0.0653 -0.2212
3619
77 -50.67064 0.0795 0.0185 -0.4567
3620
78 -50.67063 -0.0803 -0.0186 0.4565
3621
79 -50.37978 0.4976 0.0639 -0.0151
3622
80 -50.37966 -0.4991 -0.0646 0.0151
3623
81 -50.36793 -0.1408 -0.0261 -0.0408
3624
82 -50.36782 0.1326 0.0271 0.0417
3625
83 -50.36314 -0.4397 -0.0991 0.0536
3626
84 -50.36303 0.4407 0.1001 -0.0546
3627
85 -50.34546 0.3183 -0.1630 0.0434
3628
86 -50.34532 -0.3103 0.1628 -0.0414
3629
87 -50.34024 -0.1037 -0.0911 -0.1232
3630
88 -50.34013 0.1132 0.0907 0.1224
3631
89 -50.32249 0.2087 -0.0089 -0.1472
3632
90 -50.32235 -0.2176 0.0082 0.1462
3633
91 -29.08020 -0.0010 0.0004 0.3594
3634
92 -29.08020 0.0010 -0.0004 -0.3594
3635
93 -29.07569 0.0025 -0.0004 -0.0989
3636
94 -29.07569 -0.0007 0.0004 0.0989
3637
95 -29.07495 -0.0025 0.0004 0.0207
3638
96 -29.07495 0.0006 -0.0004 -0.0208
3639
97 -29.06417 0.0021 -0.0000 -0.0279
3640
98 -29.06417 -0.0019 0.0000 0.0279
3641
99 -29.05159 0.4020 0.0020 -0.0001
3642
100 -29.05159 -0.4022 -0.0020 0.0001
3643
101 -29.04910 -0.4007 -0.0016 -0.0007
3644
102 -29.04909 0.4008 0.0016 0.0007
3645
103 -29.04705 -0.3997 -0.0086 0.0000
3646
104 -29.04705 0.3998 0.0086 -0.0000
3647
105 -29.03333 0.3983 0.0037 -0.0001
3648
106 -29.03333 -0.3983 -0.0037 0.0001
3649
107 -29.02457 -0.0073 0.0001 0.1679
3650
108 -29.02457 -0.0018 -0.0000 -0.1679
3651
109 -29.02455 0.0068 -0.0001 -0.1678
3652
110 -29.02455 0.0024 0.0000 0.1678
3653
111 -29.00455 0.3929 0.0044 -0.0003
3654
112 -29.00454 -0.3930 -0.0044 0.0003
3655
113 -29.00425 -0.4041 -0.0044 0.0003
3656
114 -29.00424 0.4041 0.0044 -0.0003
3657
115 -26.15001 -0.1121 -0.0100 0.0047
3658
116 -26.15001 0.1122 0.0100 -0.0047
3659
117 -26.13654 -0.1129 0.0203 -0.0509
3660
118 -26.13654 0.1122 -0.0203 0.0509
3661
119 -26.13444 0.1110 -0.0134 0.0256
3662
120 -26.13444 -0.1103 0.0134 -0.0256
3663
121 -26.10100 -0.0356 0.0339 -0.0011
3664
122 -26.10100 0.0351 -0.0339 0.0011
3665
123 -26.08895 -0.0104 0.0214 0.4350
3666
124 -26.08895 0.0109 -0.0214 -0.4350
3667
125 -26.08453 0.0227 -0.0026 -0.5322
3668
126 -26.08453 -0.0220 0.0026 0.5323
3669
127 -26.08420 -0.0220 0.0046 0.5372
3670
128 -26.08420 0.0197 -0.0045 -0.5374
3671
129 -26.08233 0.1558 -0.0964 -0.0694
3672
130 -26.08232 -0.1541 0.0963 0.0696
3673
131 -26.07528 -0.3986 -0.0202 -0.0120
3674
132 -26.07528 0.3991 0.0202 0.0120
3675
133 -26.07090 0.3918 0.0374 0.0225
3676
134 -26.07089 -0.3925 -0.0373 -0.0225
3677
135 -26.06390 -0.1507 -0.0041 0.1464
3678
136 -26.06388 0.1527 0.0035 -0.1486
3679
137 -26.06365 0.1189 0.0140 -0.1965
3680
138 -26.06364 -0.1187 -0.0135 0.1987
3681
139 -26.06319 0.0700 0.0032 0.1989
3682
140 -26.06319 -0.0723 -0.0031 -0.1988
3683
141 -26.04947 -0.5417 -0.0181 0.0005
3684
142 -26.04947 0.5417 0.0181 -0.0005
3685
143 -26.03387 -0.0234 0.0078 0.4015
3686
144 -26.03387 0.0188 -0.0076 -0.4016
3687
145 -26.03372 0.0200 -0.0076 -0.4024
3688
146 -26.03372 -0.0152 0.0073 0.4025
3689
147 -26.02147 0.4864 0.0297 -0.0028
3690
148 -26.02147 -0.4865 -0.0297 0.0028
3691
149 -26.02091 -0.5311 -0.0283 0.0022
3692
150 -26.02091 0.5312 0.0282 -0.0022
3693
151 -18.92799 0.9957 0.0042 -0.0928
3694
152 -18.92799 -0.9957 -0.0042 0.0928
3695
153 -18.85206 1.0000 0.0001 -0.0026
3696
154 -18.85206 -1.0000 -0.0001 0.0026
3697
155 -18.83205 -1.0000 0.0001 -0.0014
3698
156 -18.83205 1.0000 -0.0001 0.0014
3699
157 -18.27504 0.9999 0.0004 -0.0001
3700
158 -18.27504 -0.9999 -0.0004 0.0001
3701
159 -18.05890 0.9999 0.0000 -0.0005
3702
160 -18.05890 -0.9999 -0.0000 0.0005
3703
161 -17.86099 0.9999 -0.0002 -0.0022
3704
162 -17.86099 -0.9999 0.0002 0.0022
3705
163 -17.44162 0.9998 0.0001 -0.0003
3706
164 -17.44162 -0.9998 -0.0001 0.0003
3707
165 -17.19000 0.9998 -0.0002 -0.0011
3708
166 -17.19000 -0.9998 0.0002 0.0011
3709
167 -17.07076 0.9998 0.0004 -0.0007
3710
168 -17.07076 -0.9998 -0.0004 0.0007
3711
169 -14.82705 0.9999 0.0008 0.0013
3712
170 -14.82705 -0.9999 -0.0008 -0.0013
3713
171 -14.58359 -0.9998 -0.0050 0.0021
3714
172 -14.58359 0.9998 0.0050 -0.0021
3715
173 -14.39232 -0.9998 -0.0003 0.0000
3716
174 -14.39232 0.9998 0.0003 -0.0000
3717
175 -13.40698 1.0000 -0.0036 -0.0023
3718
176 -13.40698 -1.0000 0.0036 0.0023
3719
177 -13.20775 -1.0000 0.0030 -0.0015
3720
178 -13.20775 1.0000 -0.0030 0.0015
3721
179 -13.09397 -1.0000 -0.0004 -0.0017
3722
180 -13.09397 1.0000 0.0004 0.0017
3723
181 -7.66516 0.8621 -0.1557 -0.1028
3724
182 -7.66516 -0.8621 0.1557 0.1028
3725
183 -7.45082 0.8203 -0.0312 -0.0086
3726
184 -7.45082 -0.8203 0.0312 0.0086
3727
185 -7.25767 0.6138 0.0001 -0.0004
3728
186 -7.25767 -0.6138 -0.0001 0.0004
3729
187 -6.88535 0.5088 0.0298 0.0001
3730
188 -6.88535 -0.5088 -0.0298 -0.0001
3731
189 -6.84311 0.1867 0.0061 0.0025
3732
190 -6.84311 -0.1867 -0.0061 -0.0025
3733
191 -6.62526 -0.4185 -0.0012 0.0001
3734
192 -6.62523 0.4185 0.0012 -0.0001
3735
193 -6.59186 0.3357 0.0013 -0.0000
3736
194 -6.59183 -0.3357 -0.0013 0.0000
3737
195 -6.45858 -0.2821 -0.0011 0.0084
3738
196 -6.45858 0.3540 -0.0009 -0.0018
3739
197 -6.45453 0.1132 0.0052 0.0009
3740
198 -6.45453 -0.1158 -0.0053 -0.0009
3741
199 -6.39882 -0.0080 0.0005 -0.0508
3742
200 -6.39882 0.0022 -0.0005 0.0508
3743
201 -6.39541 0.0540 -0.0028 0.0279
3744
202 -6.39541 -0.0546 0.0028 -0.0279
3745
203 -6.27942 -0.3132 -0.0033 0.0062
3746
204 -6.27941 0.3191 0.0033 -0.0062
3747
205 -6.23465 0.2989 0.0034 0.0078
3748
206 -6.23465 -0.2916 -0.0034 -0.0078
3749
207 -6.06768 0.3391 -0.0086 -0.0018
3750
208 -6.06767 -0.3433 0.0086 0.0018
3751
209 -5.98899 -0.2933 0.0047 0.0549
3752
210 -5.98899 0.2903 -0.0047 -0.0549
3753
211 -5.95365 -0.0105 -0.0102 -0.5763
3754
212 -5.95365 0.0088 0.0102 0.5763
3755
213 -5.89538 -0.0011 0.0032 -0.5894
3756
214 -5.89538 0.0018 -0.0032 0.5894
3757
215 -5.78436 -0.1668 -0.0021 0.0084
3758
216 -5.78436 0.1668 0.0021 -0.0084
3759
217 -5.68804 0.0831 -0.0016 -0.0007
3760
218 -5.68804 -0.0824 0.0016 0.0007
3761
219 -5.42692 -0.8297 -0.0034 0.0003
3762
220 -5.42688 0.8035 0.0033 -0.0003
3763
221 -5.40437 0.1133 0.0019 0.0002
3764
222 -5.40434 -0.0912 -0.0018 -0.0002
3765
223 -5.36653 0.4167 -0.0270 0.0005
3766
224 -5.36652 -0.4107 0.0270 -0.0005
3767
225 -5.34621 0.0923 -0.0081 -0.0032
3768
226 -5.34620 -0.0936 0.0081 0.0032
3769
227 -5.28001 -0.0009 0.0022 0.5964
3770
228 -5.28000 0.0004 -0.0022 -0.5964
3771
229 -5.25001 -0.0004 -0.0029 0.6079
3772
230 -5.25001 0.0007 0.0029 -0.6079
3773
231 -5.01420 0.6630 -0.0345 -0.0096
3774
232 -5.01420 -0.6638 0.0345 0.0096
3775
233 -4.82865 0.5896 0.0034 0.0006
3776
234 -4.82864 -0.5705 -0.0034 -0.0006
3777
235 -4.77471 -0.5935 0.0044 0.0010
3778
236 -4.77470 0.5725 -0.0044 -0.0010
3779
237 -4.38161 -0.6824 0.0019 0.0013
3780
238 -4.38160 0.6794 -0.0019 -0.0013
3781
239 -4.24213 -0.4644 0.0013 0.0005
3782
240 -4.24213 0.4627 -0.0013 -0.0005
3783
241 -3.99106 0.3109 0.0009 -0.0008
3784
242 -3.99106 -0.3129 -0.0009 0.0008
3785
243 -3.84188 0.2871 0.0038 -0.0052
3786
244 -3.84188 -0.2896 -0.0038 0.0052
3787
245 -3.75712 -0.2808 -0.0001 0.0030
3788
246 -3.75712 0.2764 0.0001 -0.0030
3789
247 -2.98053 -0.4716 0.0010 -0.0002
3790
248 -2.98053 0.4753 -0.0010 0.0002
3791
249 -2.79739 -0.4714 -0.0081 0.0023
3792
250 -2.79739 0.4738 0.0081 -0.0023
3793
251 -2.59645 -0.5035 0.0024 -0.0006
3794
252 -2.59644 0.5050 -0.0024 0.0006
3795
253 -2.17608 -0.0005 -0.0009 -0.5024
3796
254 -2.17608 -0.0012 0.0009 0.5024
3797
255 -2.03659 -0.0020 0.0007 0.3604
3798
256 -2.03659 -0.0001 -0.0007 -0.3604
3799
257 -1.92635 -0.0011 0.0004 0.6853
3800
258 -1.92635 -0.0011 -0.0004 -0.6853
3801
259 -1.32853 -0.5839 0.0462 -0.0124
3802
260 -1.32853 0.5869 -0.0462 0.0124
3803
261 -1.16533 0.5721 -0.0112 0.0024
3804
262 -1.16533 -0.5701 0.0112 -0.0024
3805
263 -1.07996 -0.0097 -0.0028 -0.5785
3806
264 -1.07996 0.0101 0.0028 0.5785
3807
265 -1.00856 0.5788 -0.0197 0.0040
3808
266 -1.00856 -0.5769 0.0197 -0.0040
3809
267 -0.96021 -0.0029 0.0199 0.4736
3810
268 -0.96021 0.0036 -0.0199 -0.4736
3811
269 -0.89542 -0.0016 0.0014 -0.7026
3812
270 -0.89542 0.0013 -0.0014 0.7026
3813
271 5.79077 1.0973 -0.0003 0.0002
3814
272 5.79077 -1.0981 0.0003 -0.0002
3815
273 6.10218 1.0601 0.0009 0.0003
3816
274 6.10218 -1.0611 -0.0009 -0.0003
3817
275 6.29161 1.1536 0.0034 -0.0085
3818
276 6.29161 -1.1548 -0.0034 0.0085
3819
277 6.93488 1.4597 -0.0004 0.0006
3820
278 6.93488 -1.4576 0.0004 -0.0006
3821
279 7.01688 1.5350 -0.0038 0.0022
3822
280 7.01688 -1.5329 0.0038 -0.0022
3823
281 7.22958 1.2809 0.0011 -0.0004
3824
282 7.22958 -1.2808 -0.0011 0.0004
3825
283 7.49591 -1.2533 0.0027 -0.0039
3826
284 7.49591 1.2513 -0.0027 0.0039
3827
285 7.62586 -1.3269 -0.0017 0.0045
3828
286 7.62586 1.3251 0.0017 -0.0045
3829
287 8.17015 1.6792 -0.0004 -0.0005
3830
288 8.17016 -1.6779 0.0004 0.0005
3831
289 9.13982 1.3810 0.0020 0.0029
3832
290 9.13984 -1.3772 -0.0020 -0.0029
3833
291 9.39342 -0.1262 -0.0010 -0.0006
3834
292 9.39345 0.1250 0.0010 0.0006
3835
293 9.53547 -0.0397 0.0033 -0.1045
3836
294 9.53547 0.0398 -0.0033 0.1045
3837
295 9.68208 1.3759 -0.0014 0.0146
3838
296 9.68209 -1.3713 0.0014 -0.0146
3839
297 9.82357 -0.0158 -0.0006 0.0098
3840
298 9.82357 0.0140 0.0006 -0.0098
3841
299 10.01970 -0.0272 0.0038 -0.4773
3842
300 10.01970 0.0270 -0.0038 0.4773
3843
301 10.37770 -0.9864 -0.0015 0.0023
3844
302 10.37773 0.9904 0.0015 -0.0023
3845
303 10.51248 -0.6402 0.0032 0.0026
3846
304 10.51250 0.6396 -0.0032 -0.0026
3847
305 10.64121 1.1415 0.0032 -0.0038
3848
306 10.64122 -1.1403 -0.0032 0.0038
3849
307 11.53331 -1.1664 0.0000 -0.0007
3850
308 11.53334 1.1625 -0.0000 0.0007
3851
309 11.81249 -0.5952 0.0002 -0.0069
3852
310 11.81250 0.5964 -0.0002 0.0069
3853
311 12.14112 0.8451 -0.0002 0.0034
3854
312 12.14116 -0.8431 0.0002 -0.0034
3855
313 12.89874 -0.0550 0.0011 0.0082
3856
314 12.89875 0.0456 -0.0011 -0.0082
3857
315 13.11164 -0.0702 -0.0466 -0.5893
3858
316 13.11164 0.0738 0.0466 0.5893
3859
317 13.46324 -0.0203 -0.0003 -0.0260
3860
318 13.46324 0.0194 0.0003 0.0260
3861
319 14.20760 -0.0296 0.0023 0.2334
3862
320 14.20760 0.0294 -0.0023 -0.2334
3863
321 14.71849 0.0144 0.0008 0.2896
3864
322 14.71849 -0.0159 -0.0008 -0.2896
3865
323 14.81631 0.1140 0.0015 -0.0017
3866
324 14.81635 -0.1121 -0.0015 0.0017
3867
325 14.96785 -0.1873 -0.0045 -0.0001
3868
326 14.96790 0.1855 0.0045 0.0001
3869
327 15.05357 0.5928 0.0181 -0.0003
3870
328 15.05359 -0.5973 -0.0181 0.0003
3871
329 15.19599 0.3416 0.0443 -0.0289
3872
330 15.19602 -0.3282 -0.0449 0.0288
3873
331 15.19865 -0.0191 -0.0058 0.0402
3874
332 15.19868 0.0043 0.0063 -0.0401
3875
333 15.31947 -0.0240 0.0001 0.0383
3876
334 15.31948 0.0251 -0.0001 -0.0383
3877
335 15.82480 -0.0006 -0.0011 -0.7680
3878
336 15.82480 0.0006 0.0011 0.7680
3879
337 16.24874 -0.9868 -0.0052 0.0038
3880
338 16.24875 0.9912 0.0052 -0.0038
3881
339 16.62884 -0.6680 0.0010 0.0023
3882
340 16.62884 0.6724 -0.0010 -0.0023
3883
341 17.18374 0.3386 -0.0015 -0.0126
3884
342 17.18374 -0.3402 0.0015 0.0126
3885
343 17.55407 -0.0022 0.0036 0.8743
3886
344 17.55407 -0.0016 -0.0036 -0.8743
3887
345 17.75057 1.1884 -0.0403 0.0375
3888
346 17.75058 -1.1838 0.0403 -0.0375
3889
347 18.23478 0.2030 0.0024 -0.1300
3890
348 18.23479 -0.2028 -0.0024 0.1300
3891
349 18.53850 -0.0070 0.0013 0.8154
3892
350 18.53850 0.0059 -0.0013 -0.8154
3893
351 18.76555 0.0003 0.0005 -0.9479
3894
352 18.76555 -0.0004 -0.0005 0.9478
3895
353 19.21119 0.0183 0.0024 0.5506
3896
354 19.21119 0.0155 -0.0024 -0.5506
3897
355 19.24866 0.0256 0.0088 0.1666
3898
356 19.24866 -0.0617 -0.0088 -0.1666
3899
357 19.44127 -0.0202 -0.0024 -0.0285
3900
358 19.44127 0.0203 0.0024 0.0285
3901
359 19.75416 -0.0040 -0.0021 1.1247
3902
360 19.75416 0.0046 0.0021 -1.1247
3903
361 20.20255 0.0018 0.0000 -0.4339
3904
362 20.20255 -0.0013 -0.0000 0.4339
3905
363 20.51025 -0.0154 -0.0015 -0.9436
3906
364 20.51025 0.0159 0.0015 0.9436
3907
365 21.07648 0.0018 0.0006 0.7210
3908
366 21.07648 -0.0015 -0.0006 -0.7210
3909
367 21.26308 0.7804 -0.0072 0.0002
3910
368 21.26309 -0.7794 0.0072 -0.0002
3911
369 21.33945 -0.7429 0.0009 0.0022
3912
370 21.33946 0.7414 -0.0009 -0.0022
3913
371 21.78861 -0.7871 0.0007 0.0001
3914
372 21.78861 0.7868 -0.0007 -0.0001
3915
373 25.90995 1.2273 -0.0006 0.0058
3916
374 25.90995 -1.2271 0.0006 -0.0058
3917
375 27.95818 -1.1621 0.0057 0.0025
3918
376 27.95818 1.1617 -0.0057 -0.0025
3919
377 31.13796 1.1603 0.0005 -0.0007
3920
378 31.13796 -1.1608 -0.0005 0.0007
3921
379 39.40581 -0.6982 0.0001 -0.0002
3922
380 39.40581 0.6978 -0.0001 0.0002
3923
381 42.22538 0.8475 -0.0039 0.0070
3924
382 42.22538 -0.8476 0.0039 -0.0070
3925
383 46.54510 -0.9003 0.0004 -0.0016
3926
384 46.54510 0.9005 -0.0004 0.0016
3927
385 50.27645 0.8712 -0.0001 0.0008
3928
386 50.27645 -0.8712 0.0001 -0.0008
3929
387 52.16722 0.8142 -0.0010 -0.0010
3930
388 52.16722 -0.8142 0.0010 0.0010
3931
389 53.96639 0.7816 -0.0000 0.0028
3932
390 53.96639 -0.7816 0.0000 -0.0028
3933
3934
k-point 11 ( -0.000837 0.004748 0.000000 ) (Bohr^-1)
3935
ie e(eV) Sx Sy Sz
3936
1 -51.72595 0.2751 0.3390 0.0348
3937
2 -51.72595 -0.2750 -0.3390 -0.0348
3938
3 -51.67056 -0.3872 -0.0453 -0.0253
3939
4 -51.67053 0.3852 0.0470 0.0261
3940
5 -51.66991 0.4057 0.0764 -0.0097
3941
6 -51.66985 -0.4058 -0.0767 0.0096
3942
7 -51.66904 0.1978 -0.1404 -0.0863
3943
8 -51.66890 -0.2103 0.1490 0.1046
3944
9 -51.66713 -0.0367 0.0196 -0.2431
3945
10 -51.66702 0.0503 -0.0299 0.2259
3946
11 -51.66347 -0.3381 -0.1063 -0.0060
3947
12 -51.66337 0.3375 0.1064 0.0046
3948
13 -51.65083 -0.0479 0.0110 -0.4103
3949
14 -51.65081 0.0512 -0.0104 0.4097
3950
15 -51.62123 0.0275 -0.0128 0.3789
3951
16 -51.62122 -0.0293 0.0124 -0.3787
3952
17 -51.61745 -0.2455 -0.2310 0.0687
3953
18 -51.61731 0.2472 0.2334 -0.0663
3954
19 -51.61430 -0.3526 0.1164 -0.0839
3955
20 -51.61414 0.3563 -0.1185 0.0806
3956
21 -51.61141 -0.0392 0.3225 0.0986
3957
22 -51.61138 0.0448 -0.3229 -0.1001
3958
23 -51.60396 0.0192 -0.0116 0.2262
3959
24 -51.60393 -0.0254 0.0119 -0.2247
3960
25 -51.60082 0.0254 -0.0136 0.3117
3961
26 -51.60079 -0.0316 0.0132 -0.3109
3962
27 -51.58233 -0.0507 0.0149 -0.1139
3963
28 -51.58232 0.0523 -0.0147 0.1139
3964
29 -51.26114 -0.2581 0.0756 0.0367
3965
30 -51.26101 0.2704 -0.0754 -0.0415
3966
31 -51.25336 0.0929 -0.0106 0.3946
3967
32 -51.25327 -0.1050 0.0105 -0.3898
3968
33 -51.25218 0.3842 0.0399 -0.0246
3969
34 -51.25208 -0.3880 -0.0404 0.0249
3970
35 -51.22184 -0.0303 0.0140 -0.3832
3971
36 -51.22182 0.0339 -0.0135 0.3830
3972
37 -50.84149 -0.5183 -0.2844 0.0058
3973
38 -50.84149 0.5183 0.2844 -0.0058
3974
39 -50.80217 -0.1413 0.0521 0.1964
3975
40 -50.80215 0.1402 -0.0524 -0.1967
3976
41 -50.78401 0.4618 0.3634 -0.0395
3977
42 -50.78392 -0.4477 -0.3690 0.0499
3978
43 -50.78355 -0.4676 -0.3550 0.0349
3979
44 -50.78346 0.4448 0.3723 -0.0605
3980
45 -50.78294 -0.0049 0.0397 0.3514
3981
46 -50.78292 0.0162 -0.0509 -0.3349
3982
47 -50.77954 0.0344 0.1259 -0.1567
3983
48 -50.77945 -0.0325 -0.1330 0.1556
3984
49 -50.76955 -0.6602 0.2305 0.0946
3985
50 -50.76936 0.6708 -0.2188 -0.0889
3986
51 -50.76474 0.1417 -0.1037 -0.2317
3987
52 -50.76462 -0.1513 0.1007 0.2267
3988
53 -50.75071 0.4740 -0.1360 -0.0293
3989
54 -50.75053 -0.4723 0.1426 0.0236
3990
55 -50.74879 -0.0245 0.0156 0.4758
3991
56 -50.74875 0.0074 -0.0057 -0.4868
3992
57 -50.74856 -0.1106 0.0451 -0.1829
3993
58 -50.74850 0.1355 -0.0658 0.1930
3994
59 -50.74818 -0.2045 0.0734 0.0539
3995
60 -50.74813 0.1869 -0.0722 -0.0486
3996
61 -50.73809 0.0525 0.0718 -0.3385
3997
62 -50.73807 -0.0510 -0.0710 0.3378
3998
63 -50.73672 0.1568 0.0749 -0.1256
3999
64 -50.73668 -0.1558 -0.0757 0.1280
4000
65 -50.71704 0.2183 -0.0900 0.3365
4001
66 -50.71697 -0.2187 0.0926 -0.3414
4002
67 -50.71107 -0.5297 0.0914 -0.1500
4003
68 -50.71102 0.5273 -0.0942 0.1530
4004
69 -50.70752 -0.0822 -0.0153 0.3113
4005
70 -50.70748 0.0848 0.0158 -0.3111
4006
71 -50.69744 0.0624 0.0613 -0.6078
4007
72 -50.69740 -0.0666 -0.0629 0.6100
4008
73 -50.69359 -0.1064 -0.0317 0.2525
4009
74 -50.69353 0.1111 0.0329 -0.2517
4010
75 -50.69156 0.4937 0.0074 0.2086
4011
76 -50.69153 -0.4921 -0.0063 -0.2107
4012
77 -50.67064 0.0790 0.0346 -0.3825
4013
78 -50.67063 -0.0798 -0.0349 0.3824
4014
79 -50.37978 0.5081 0.1645 -0.0135
4015
80 -50.37966 -0.5096 -0.1654 0.0134
4016
81 -50.36793 -0.1322 -0.0510 -0.0365
4017
82 -50.36782 0.1243 0.0508 0.0373
4018
83 -50.36314 -0.4682 -0.2015 0.0492
4019
84 -50.36304 0.4694 0.2029 -0.0501
4020
85 -50.34546 0.2909 -0.1408 0.0391
4021
86 -50.34532 -0.2830 0.1419 -0.0373
4022
87 -50.34024 -0.1169 -0.1249 -0.1080
4023
88 -50.34013 0.1262 0.1261 0.1073
4024
89 -50.32249 0.2104 0.0265 -0.1314
4025
90 -50.32236 -0.2193 -0.0290 0.1305
4026
91 -29.08020 -0.0013 0.0002 0.2861
4027
92 -29.08020 0.0012 -0.0002 -0.2861
4028
93 -29.07569 0.0025 0.0001 -0.0899
4029
94 -29.07569 -0.0008 0.0002 0.0900
4030
95 -29.07495 -0.0025 -0.0001 0.0177
4031
96 -29.07495 0.0007 -0.0003 -0.0177
4032
97 -29.06417 0.0018 -0.0002 -0.1585
4033
98 -29.06417 -0.0016 0.0003 0.1585
4034
99 -29.05159 0.3959 0.0724 -0.0001
4035
100 -29.05159 -0.3961 -0.0724 0.0001
4036
101 -29.04910 -0.3948 -0.0715 -0.0005
4037
102 -29.04909 0.3948 0.0715 0.0005
4038
103 -29.04705 -0.3925 -0.0787 -0.0005
4039
104 -29.04705 0.3925 0.0787 0.0005
4040
105 -29.03333 0.3919 0.0734 0.0000
4041
106 -29.03333 -0.3919 -0.0734 -0.0000
4042
107 -29.02457 -0.0071 -0.0012 0.1688
4043
108 -29.02457 -0.0019 -0.0004 -0.1688
4044
109 -29.02455 0.0066 0.0011 -0.1689
4045
110 -29.02455 0.0024 0.0004 0.1689
4046
111 -29.00455 0.3868 0.0733 -0.0001
4047
112 -29.00454 -0.3868 -0.0733 0.0001
4048
113 -29.00425 -0.3978 -0.0752 0.0001
4049
114 -29.00424 0.3978 0.0752 -0.0001
4050
115 -26.15001 -0.1079 -0.0301 0.0070
4051
116 -26.15001 0.1079 0.0301 -0.0070
4052
117 -26.13654 -0.1139 0.0047 -0.0707
4053
118 -26.13654 0.1133 -0.0048 0.0707
4054
119 -26.13444 0.1112 0.0035 0.0371
4055
120 -26.13444 -0.1105 -0.0034 -0.0371
4056
121 -26.10100 -0.0316 0.0369 -0.0036
4057
122 -26.10100 0.0312 -0.0370 0.0036
4058
123 -26.08895 -0.0063 0.0236 0.3750
4059
124 -26.08895 0.0069 -0.0235 -0.3751
4060
125 -26.08453 0.0221 0.0010 -0.4794
4061
126 -26.08453 -0.0214 -0.0009 0.4795
4062
127 -26.08420 -0.0235 0.0014 0.5326
4063
128 -26.08420 0.0212 -0.0017 -0.5328
4064
129 -26.08232 0.1547 -0.1001 -0.0691
4065
130 -26.08232 -0.1530 0.1003 0.0693
4066
131 -26.07528 -0.3951 -0.0931 -0.0106
4067
132 -26.07528 0.3955 0.0932 0.0107
4068
133 -26.07090 0.3831 0.1096 0.0193
4069
134 -26.07089 -0.3838 -0.1097 -0.0193
4070
135 -26.06390 -0.1457 -0.0296 0.1291
4071
136 -26.06388 0.1475 0.0293 -0.1302
4072
137 -26.06365 0.1178 0.0347 -0.2106
4073
138 -26.06364 -0.1175 -0.0339 0.2130
4074
139 -26.06319 0.0733 0.0117 0.1252
4075
140 -26.06319 -0.0755 -0.0121 -0.1265
4076
141 -26.04947 -0.5352 -0.1155 0.0004
4077
142 -26.04947 0.5353 0.1155 -0.0004
4078
143 -26.03387 -0.0229 0.0050 0.3850
4079
144 -26.03387 0.0184 -0.0056 -0.3851
4080
145 -26.03372 0.0199 -0.0052 -0.3846
4081
146 -26.03372 -0.0151 0.0058 0.3847
4082
147 -26.02148 0.4793 0.1185 -0.0024
4083
148 -26.02147 -0.4795 -0.1185 0.0024
4084
149 -26.02091 -0.5232 -0.1246 0.0020
4085
150 -26.02091 0.5232 0.1245 -0.0020
4086
151 -18.92799 0.9803 0.1779 -0.0861
4087
152 -18.92799 -0.9803 -0.1779 0.0861
4088
153 -18.85206 0.9848 0.1738 -0.0032
4089
154 -18.85206 -0.9848 -0.1738 0.0032
4090
155 -18.83205 -0.9848 -0.1735 -0.0006
4091
156 -18.83205 0.9848 0.1735 0.0006
4092
157 -18.27504 0.9847 0.1741 0.0000
4093
158 -18.27504 -0.9847 -0.1741 -0.0000
4094
159 -18.05890 0.9847 0.1737 -0.0003
4095
160 -18.05890 -0.9847 -0.1737 0.0003
4096
161 -17.86099 0.9848 0.1734 -0.0017
4097
162 -17.86099 -0.9848 -0.1734 0.0017
4098
163 -17.44162 0.9846 0.1737 -0.0003
4099
164 -17.44162 -0.9846 -0.1737 0.0003
4100
165 -17.19000 0.9847 0.1734 -0.0009
4101
166 -17.19000 -0.9847 -0.1734 0.0009
4102
167 -17.07076 0.9845 0.1740 -0.0007
4103
168 -17.07076 -0.9845 -0.1740 0.0007
4104
169 -14.82705 0.9845 0.1746 0.0010
4105
170 -14.82705 -0.9845 -0.1746 -0.0010
4106
171 -14.58359 -0.9837 -0.1788 0.0014
4107
172 -14.58359 0.9837 0.1788 -0.0014
4108
173 -14.39232 -0.9846 -0.1739 -0.0001
4109
174 -14.39232 0.9846 0.1739 0.0001
4110
175 -13.40698 0.9855 0.1695 -0.0010
4111
176 -13.40698 -0.9855 -0.1695 0.0010
4112
177 -13.20775 -0.9854 -0.1703 -0.0022
4113
178 -13.20775 0.9854 0.1703 0.0022
4114
179 -13.09397 -0.9847 -0.1741 -0.0017
4115
180 -13.09397 0.9847 0.1741 0.0017
4116
181 -7.66516 0.8762 -0.0377 -0.0965
4117
182 -7.66516 -0.8762 0.0377 0.0965
4118
183 -7.45082 0.8140 0.1070 -0.0030
4119
184 -7.45082 -0.8140 -0.1070 0.0030
4120
185 -7.25767 0.6045 0.1067 -0.0008
4121
186 -7.25767 -0.6045 -0.1067 0.0008
4122
187 -6.88535 0.4952 0.1210 -0.0011
4123
188 -6.88535 -0.4952 -0.1210 0.0011
4124
189 -6.84311 0.1829 0.0392 0.0017
4125
190 -6.84311 -0.1829 -0.0392 -0.0017
4126
191 -6.62527 -0.4123 -0.0741 0.0013
4127
192 -6.62523 0.4123 0.0741 -0.0013
4128
193 -6.59186 0.3307 0.0597 -0.0030
4129
194 -6.59183 -0.3308 -0.0597 0.0030
4130
195 -6.45858 -0.2852 -0.0992 0.0541
4131
196 -6.45858 0.3400 0.0741 -0.0726
4132
197 -6.45453 0.0853 -0.0106 -0.1467
4133
198 -6.45453 -0.0879 0.0100 0.1474
4134
199 -6.39881 -0.0048 -0.0013 -0.0174
4135
200 -6.39881 -0.0009 0.0004 0.0175
4136
201 -6.39543 0.0291 -0.0077 0.0242
4137
202 -6.39542 -0.0297 0.0076 -0.0244
4138
203 -6.27942 -0.3077 -0.0582 0.0106
4139
204 -6.27941 0.3135 0.0591 -0.0105
4140
205 -6.23465 0.2931 0.0557 0.0142
4141
206 -6.23465 -0.2858 -0.0545 -0.0143
4142
207 -6.06767 0.3362 0.0489 0.0015
4143
208 -6.06767 -0.3403 -0.0497 -0.0016
4144
209 -5.98900 -0.2909 -0.0448 0.0635
4145
210 -5.98899 0.2880 0.0442 -0.0635
4146
211 -5.95365 -0.0139 -0.0064 -0.5682
4147
212 -5.95365 0.0123 0.0061 0.5683
4148
213 -5.89538 -0.0008 0.0024 -0.5130
4149
214 -5.89538 0.0015 -0.0023 0.5130
4150
215 -5.78436 -0.1640 -0.0312 0.0094
4151
216 -5.78436 0.1640 0.0312 -0.0094
4152
217 -5.68804 0.0824 0.0127 -0.0016
4153
218 -5.68804 -0.0817 -0.0125 0.0017
4154
219 -5.42694 -0.8165 -0.1481 -0.0094
4155
220 -5.42689 0.7908 0.1434 0.0090
4156
221 -5.40434 0.1110 0.0217 0.0332
4157
222 -5.40431 -0.0893 -0.0177 -0.0327
4158
223 -5.36654 0.4159 0.0419 0.0503
4159
224 -5.36653 -0.4099 -0.0409 -0.0502
4160
225 -5.34621 0.0913 0.0082 -0.0797
4161
226 -5.34621 -0.0926 -0.0084 0.0795
4162
227 -5.28000 -0.0004 0.0025 0.5653
4163
228 -5.28000 -0.0000 -0.0026 -0.5653
4164
229 -5.25001 -0.0018 -0.0029 0.4798
4165
230 -5.25001 0.0021 0.0029 -0.4798
4166
231 -5.01420 0.6596 0.0755 -0.0089
4167
232 -5.01420 -0.6604 -0.0757 0.0089
4168
233 -4.82865 0.5799 0.1063 0.0004
4169
234 -4.82864 -0.5612 -0.1029 -0.0004
4170
235 -4.77471 -0.5854 -0.0980 0.0008
4171
236 -4.77470 0.5646 0.0944 -0.0008
4172
237 -4.38161 -0.6724 -0.1164 0.0006
4173
238 -4.38160 0.6695 0.1159 -0.0006
4174
239 -4.24213 -0.4576 -0.0792 0.0001
4175
240 -4.24213 0.4559 0.0788 -0.0001
4176
241 -3.99106 0.3060 0.0550 -0.0008
4177
242 -3.99106 -0.3079 -0.0553 0.0008
4178
243 -3.84188 0.2820 0.0540 -0.0047
4179
244 -3.84188 -0.2844 -0.0545 0.0047
4180
245 -3.75712 -0.2765 -0.0489 0.0029
4181
246 -3.75712 0.2722 0.0481 -0.0029
4182
247 -2.98053 -0.4646 -0.0807 -0.0007
4183
248 -2.98053 0.4683 0.0814 0.0007
4184
249 -2.79739 -0.4626 -0.0909 0.0017
4185
250 -2.79739 0.4650 0.0913 -0.0017
4186
251 -2.59645 -0.4964 -0.0847 -0.0006
4187
252 -2.59644 0.4978 0.0850 0.0006
4188
253 -2.17608 -0.0006 -0.0012 -0.4761
4189
254 -2.17608 -0.0010 0.0009 0.4761
4190
255 -2.03659 -0.0019 0.0007 0.3271
4191
256 -2.03659 -0.0002 -0.0011 -0.3271
4192
257 -1.92635 -0.0011 0.0000 0.5757
4193
258 -1.92635 -0.0011 -0.0004 -0.5757
4194
259 -1.32853 -0.5832 -0.0489 -0.0173
4195
260 -1.32853 0.5861 0.0494 0.0173
4196
261 -1.16533 0.5656 0.0868 0.0099
4197
262 -1.16533 -0.5637 -0.0864 -0.0099
4198
263 -1.07996 -0.0089 -0.0034 -0.7973
4199
264 -1.07996 0.0094 0.0035 0.7973
4200
265 -1.00856 0.5741 0.0782 0.0143
4201
266 -1.00856 -0.5722 -0.0779 -0.0143
4202
267 -0.96021 0.0012 0.0205 0.5382
4203
268 -0.96021 -0.0004 -0.0204 -0.5382
4204
269 -0.89542 -0.0023 0.0009 -0.8055
4205
270 -0.89542 0.0020 -0.0009 0.8056
4206
271 5.79077 1.0807 0.1901 0.0004
4207
272 5.79077 -1.0815 -0.1903 -0.0004
4208
273 6.10218 1.0439 0.1851 0.0004
4209
274 6.10218 -1.0449 -0.1852 -0.0004
4210
275 6.29161 1.1354 0.2042 -0.0087
4211
276 6.29161 -1.1365 -0.2043 0.0087
4212
277 6.93488 1.4376 0.2532 0.0061
4213
278 6.93488 -1.4355 -0.2528 -0.0061
4214
279 7.01688 1.5125 0.2621 0.0053
4215
280 7.01688 -1.5104 -0.2617 -0.0053
4216
281 7.22958 1.2612 0.2237 -0.0009
4217
282 7.22958 -1.2611 -0.2237 0.0009
4218
283 7.49591 -1.2348 -0.2145 -0.0074
4219
284 7.49591 1.2328 0.2142 0.0074
4220
285 7.62586 -1.3064 -0.2324 -0.0024
4221
286 7.62586 1.3046 0.2321 0.0024
4222
287 8.17015 1.6537 0.2912 -0.0064
4223
288 8.17016 -1.6524 -0.2909 0.0064
4224
289 9.13982 1.3592 0.2419 0.0322
4225
290 9.13984 -1.3556 -0.2412 -0.0322
4226
291 9.39342 -0.1248 -0.0242 -0.0466
4227
292 9.39344 0.1236 0.0241 0.0465
4228
293 9.53547 -0.0196 -0.0247 1.0769
4229
294 9.53547 0.0196 0.0247 -1.0767
4230
295 9.68208 1.3514 0.2373 0.1032
4231
296 9.68209 -1.3470 -0.2365 -0.1032
4232
297 9.82357 -0.0159 -0.0037 0.0477
4233
298 9.82357 0.0141 0.0034 -0.0477
4234
299 10.01970 -0.0031 0.0092 -1.0711
4235
300 10.01970 0.0028 -0.0092 1.0710
4236
301 10.37767 -0.9713 -0.1740 -0.0035
4237
302 10.37770 0.9752 0.1747 0.0035
4238
303 10.51254 -0.6258 -0.1016 0.1451
4239
304 10.51256 0.6252 0.1016 -0.1448
4240
305 10.64118 1.1168 0.2024 -0.1251
4241
306 10.64119 -1.1156 -0.2022 0.1248
4242
307 11.53331 -1.1484 -0.2026 0.0242
4243
308 11.53334 1.1446 0.2019 -0.0242
4244
309 11.81248 -0.5856 -0.1028 0.0491
4245
310 11.81249 0.5868 0.1030 -0.0491
4246
311 12.14114 0.8321 0.1469 -0.0304
4247
312 12.14118 -0.8302 -0.1466 0.0302
4248
313 12.89874 -0.0535 -0.0057 0.0169
4249
314 12.89875 0.0443 0.0042 -0.0167
4250
315 13.11164 -0.0410 -0.0193 -0.9554
4251
316 13.11164 0.0446 0.0200 0.9553
4252
317 13.46324 -0.0200 -0.0039 -0.0187
4253
318 13.46324 0.0191 0.0038 0.0187
4254
319 14.20760 -0.0298 -0.0037 0.1783
4255
320 14.20760 0.0296 0.0037 -0.1783
4256
321 14.71849 0.0143 0.0020 0.3165
4257
322 14.71849 -0.0157 -0.0022 -0.3165
4258
323 14.81630 0.1125 0.0216 -0.0096
4259
324 14.81634 -0.1107 -0.0212 0.0095
4260
325 14.96786 -0.1843 -0.0377 -0.0368
4261
326 14.96791 0.1825 0.0374 0.0369
4262
327 15.05358 0.5772 0.1210 0.0387
4263
328 15.05360 -0.5816 -0.1218 -0.0387
4264
329 15.19598 0.3280 0.0952 -0.3736
4265
330 15.19602 -0.3150 -0.0934 0.3733
4266
331 15.19864 -0.0133 -0.0073 0.3929
4267
332 15.19867 -0.0011 0.0053 -0.3927
4268
333 15.31947 -0.0237 -0.0042 -0.0103
4269
334 15.31948 0.0248 0.0044 0.0103
4270
335 15.82480 0.0002 0.0021 -0.6014
4271
336 15.82480 -0.0003 -0.0021 0.6014
4272
337 16.24874 -0.9708 -0.1773 0.0030
4273
338 16.24875 0.9751 0.1781 -0.0029
4274
339 16.62884 -0.6580 -0.1149 0.0062
4275
340 16.62884 0.6624 0.1157 -0.0062
4276
341 17.18374 0.3340 0.0572 -0.0144
4277
342 17.18375 -0.3355 -0.0575 0.0144
4278
343 17.55407 -0.0020 0.0019 0.8816
4279
344 17.55407 -0.0017 -0.0025 -0.8816
4280
345 17.75057 1.1783 0.1574 0.0425
4281
346 17.75058 -1.1737 -0.1565 -0.0425
4282
347 18.23478 0.1999 0.0376 -0.1342
4283
348 18.23479 -0.1998 -0.0376 0.1342
4284
349 18.53850 -0.0067 0.0021 0.8092
4285
350 18.53850 0.0055 -0.0023 -0.8092
4286
351 18.76555 0.0010 0.0002 -0.9466
4287
352 18.76555 -0.0011 -0.0002 0.9465
4288
353 19.21119 0.0190 0.0038 0.2315
4289
354 19.21119 0.0143 0.0020 -0.2316
4290
355 19.24866 0.0244 0.0130 0.1987
4291
356 19.24866 -0.0599 -0.0193 -0.1986
4292
357 19.44127 -0.0202 -0.0061 -0.0549
4293
358 19.44127 0.0203 0.0061 0.0549
4294
359 19.75416 -0.0041 -0.0000 1.1712
4295
360 19.75416 0.0047 0.0001 -1.1713
4296
361 20.20255 0.0007 -0.0005 -0.5929
4297
362 20.20255 -0.0001 0.0006 0.5929
4298
363 20.51025 -0.0171 -0.0051 -0.7596
4299
364 20.51025 0.0176 0.0052 0.7596
4300
365 21.07648 0.0005 -0.0036 0.7929
4301
366 21.07648 -0.0003 0.0037 -0.7929
4302
367 21.26308 0.7699 0.1274 -0.0114
4303
368 21.26309 -0.7689 -0.1273 0.0113
4304
369 21.33945 -0.7317 -0.1280 0.0075
4305
370 21.33946 0.7303 0.1278 -0.0074
4306
371 21.78861 -0.7752 -0.1359 0.0002
4307
372 21.78861 0.7750 0.1358 -0.0002
4308
373 25.90995 1.2088 0.2125 0.0074
4309
374 25.90995 -1.2085 -0.2124 -0.0074
4310
375 27.95818 -1.1456 -0.1953 0.0013
4311
376 27.95818 1.1452 0.1953 -0.0013
4312
377 31.13796 1.1425 0.2021 -0.0011
4313
378 31.13796 -1.1430 -0.2022 0.0011
4314
379 39.40581 -0.6876 -0.1211 -0.0002
4315
380 39.40581 0.6873 0.1210 0.0002
4316
381 42.22538 0.8354 0.1428 0.0074
4317
382 42.22538 -0.8355 -0.1428 -0.0074
4318
383 46.54510 -0.8867 -0.1559 -0.0005
4319
384 46.54510 0.8869 0.1559 0.0005
4320
385 50.27645 0.8580 0.1511 -0.0031
4321
386 50.27645 -0.8580 -0.1511 0.0031
4322
387 52.16722 0.8020 0.1402 -0.0030
4323
388 52.16722 -0.8020 -0.1402 0.0030
4324
389 53.96639 0.7696 0.1357 -0.0116
4325
390 53.96639 -0.7697 -0.1357 0.0116
4326
4327
k-point 12 ( -0.001649 0.004530 0.000000 ) (Bohr^-1)
4328
ie e(eV) Sx Sy Sz
4329
1 -51.72595 0.2633 0.3571 0.0250
4330
2 -51.72595 -0.2632 -0.3570 -0.0250
4331
3 -51.67055 -0.3860 -0.1153 -0.0222
4332
4 -51.67053 0.3844 0.1169 0.0228
4333
5 -51.66991 0.3940 0.1485 -0.0083
4334
6 -51.66986 -0.3942 -0.1489 0.0083
4335
7 -51.66903 0.1932 -0.1494 -0.0882
4336
8 -51.66891 -0.2034 0.1569 0.1036
4337
9 -51.66712 -0.0337 0.0175 -0.2187
4338
10 -51.66702 0.0446 -0.0268 0.2042
4339
11 -51.66347 -0.3257 -0.1668 -0.0053
4340
12 -51.66336 0.3251 0.1668 0.0042
4341
13 -51.65083 -0.0467 0.0046 -0.3839
4342
14 -51.65081 0.0500 -0.0035 0.3833
4343
15 -51.62123 0.0262 -0.0106 0.3681
4344
16 -51.62122 -0.0279 0.0100 -0.3679
4345
17 -51.61745 -0.2680 -0.2979 0.0589
4346
18 -51.61732 0.2699 0.3009 -0.0568
4347
19 -51.61430 -0.3154 0.0760 -0.0719
4348
20 -51.61414 0.3185 -0.0778 0.0691
4349
21 -51.61141 0.0130 0.3502 0.0833
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293 9.53547 -0.0226 -0.0214 1.1068
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350 18.53850 0.0043 -0.0023 -0.7909
4679
351 18.76555 0.0016 -0.0005 -0.9431
4680
352 18.76555 -0.0017 0.0005 0.9428
4681
353 19.21118 0.0184 0.0049 -0.1583
4682
354 19.21119 0.0134 0.0066 0.1582
4683
355 19.24866 0.0229 0.0161 0.2113
4684
356 19.24866 -0.0568 -0.0285 -0.2111
4685
357 19.44127 -0.0194 -0.0097 -0.0728
4686
358 19.44127 0.0195 0.0097 0.0730
4687
359 19.75416 -0.0030 0.0010 1.2357
4688
360 19.75416 0.0036 -0.0008 -1.2358
4689
361 20.20255 0.0002 -0.0004 -0.6044
4690
362 20.20255 0.0003 0.0006 0.6044
4691
363 20.51024 -0.0179 -0.0091 -0.5325
4692
364 20.51025 0.0185 0.0092 0.5325
4693
365 21.07648 -0.0031 -0.0059 0.8270
4694
366 21.07648 0.0034 0.0060 -0.8270
4695
367 21.26308 0.7361 0.2591 -0.0199
4696
368 21.26309 -0.7350 -0.2587 0.0198
4697
369 21.33945 -0.6983 -0.2531 0.0112
4698
370 21.33946 0.6969 0.2527 -0.0112
4699
371 21.78861 -0.7399 -0.2684 0.0002
4700
372 21.78861 0.7396 0.2683 -0.0002
4701
373 25.90995 1.1535 0.4191 0.0083
4702
374 25.90995 -1.1533 -0.4190 -0.0083
4703
375 27.95818 -1.0943 -0.3913 0.0003
4704
376 27.95818 1.0939 0.3911 -0.0003
4705
377 31.13796 1.0901 0.3974 -0.0014
4706
378 31.13796 -1.0905 -0.3976 0.0014
4707
379 39.40581 -0.6562 -0.2386 -0.0001
4708
380 39.40581 0.6558 0.2385 0.0001
4709
381 42.22538 0.7979 0.2857 0.0072
4710
382 42.22538 -0.7980 -0.2857 -0.0072
4711
383 46.54510 -0.8462 -0.3075 0.0005
4712
384 46.54510 0.8463 0.3076 -0.0005
4713
385 50.27645 0.8187 0.2978 -0.0060
4714
386 50.27645 -0.8187 -0.2978 0.0060
4715
387 52.16722 0.7655 0.2773 -0.0044
4716
388 52.16722 -0.7655 -0.2773 0.0044
4717
389 53.96639 0.7342 0.2672 -0.0223
4718
390 53.96639 -0.7342 -0.2672 0.0223
4719
4720
k-point 13 ( -0.002411 0.004175 0.000000 ) (Bohr^-1)
4721
ie e(eV) Sx Sy Sz
4722
1 -51.72595 0.2530 0.3692 0.0174
4723
2 -51.72595 -0.2529 -0.3691 -0.0174
4724
3 -51.67055 -0.3719 -0.1896 -0.0181
4725
4 -51.67053 0.3708 0.1910 0.0186
4726
5 -51.66991 0.3696 0.2182 -0.0066
4727
6 -51.66986 -0.3698 -0.2187 0.0066
4728
7 -51.66902 0.1856 -0.1630 -0.0901
4729
8 -51.66893 -0.1934 0.1692 0.1022
4730
9 -51.66712 -0.0289 0.0144 -0.1833
4731
10 -51.66703 0.0369 -0.0225 0.1719
4732
11 -51.66347 -0.3040 -0.2211 -0.0043
4733
12 -51.66336 0.3035 0.2210 0.0034
4734
13 -51.65083 -0.0443 -0.0033 -0.3370
4735
14 -51.65081 0.0472 0.0049 0.3366
4736
15 -51.62123 0.0241 -0.0077 0.3396
4737
16 -51.62122 -0.0257 0.0067 -0.3395
4738
17 -51.61745 -0.2828 -0.3580 0.0467
4739
18 -51.61732 0.2849 0.3613 -0.0451
4740
19 -51.61430 -0.2666 0.0316 -0.0571
4741
20 -51.61414 0.2691 -0.0330 0.0549
4742
21 -51.61141 0.0648 0.3674 0.0653
4743
22 -51.61138 -0.0603 -0.3662 -0.0663
4744
23 -51.60396 0.0119 -0.0077 0.1346
4745
24 -51.60393 -0.0170 0.0062 -0.1336
4746
25 -51.60082 0.0188 -0.0089 0.2341
4747
26 -51.60079 -0.0240 0.0066 -0.2336
4748
27 -51.58233 -0.0401 0.0015 -0.0864
4749
28 -51.58232 0.0414 -0.0008 0.0864
4750
29 -51.26112 -0.2878 0.0158 0.0366
4751
30 -51.26103 0.2981 -0.0118 -0.0397
4752
31 -51.25335 0.0851 0.0187 0.2997
4753
32 -51.25328 -0.0951 -0.0226 -0.2966
4754
33 -51.25217 0.3732 0.1839 -0.0180
4755
34 -51.25209 -0.3765 -0.1856 0.0182
4756
35 -51.22184 -0.0261 0.0084 -0.3296
4757
36 -51.22182 0.0293 -0.0067 0.3294
4758
37 -50.84149 -0.4597 -0.4383 0.0029
4759
38 -50.84149 0.4597 0.4383 -0.0029
4760
39 -50.80217 -0.1019 0.0188 0.1289
4761
40 -50.80215 0.1009 -0.0195 -0.1290
4762
41 -50.78402 0.4142 0.4758 -0.0208
4763
42 -50.78392 -0.4042 -0.4777 0.0273
4764
43 -50.78355 -0.4215 -0.4758 0.0185
4765
44 -50.78344 0.4084 0.4899 -0.0348
4766
45 -50.78294 0.0076 0.0658 0.3300
4767
46 -50.78293 -0.0024 -0.0767 -0.3194
4768
47 -50.77953 0.0845 0.2027 -0.1306
4769
48 -50.77946 -0.0851 -0.2105 0.1299
4770
49 -50.76953 -0.5875 0.0867 0.0752
4771
50 -50.76938 0.5999 -0.0697 -0.0714
4772
51 -50.76472 0.1317 -0.1178 -0.2259
4773
52 -50.76464 -0.1406 0.1115 0.2227
4774
53 -50.75069 0.4373 -0.0224 -0.0230
4775
54 -50.75055 -0.4339 0.0307 0.0192
4776
55 -50.74878 -0.0204 0.0139 0.4767
4777
56 -50.74876 0.0093 -0.0074 -0.4836
4778
57 -50.74856 -0.0871 0.0248 -0.1245
4779
58 -50.74850 0.1027 -0.0424 0.1310
4780
59 -50.74818 -0.1392 0.0254 0.0364
4781
60 -50.74813 0.1237 -0.0284 -0.0330
4782
61 -50.73809 0.0599 0.0925 -0.2074
4783
62 -50.73807 -0.0584 -0.0912 0.2070
4784
63 -50.73671 0.1795 0.1597 -0.0957
4785
64 -50.73668 -0.1789 -0.1603 0.0972
4786
65 -50.71703 0.2172 -0.0576 0.3111
4787
66 -50.71698 -0.2166 0.0606 -0.3142
4788
67 -50.71107 -0.4847 -0.0615 -0.1155
4789
68 -50.71102 0.4819 0.0575 0.1174
4790
69 -50.70752 -0.0750 -0.0441 0.1964
4791
70 -50.70748 0.0774 0.0456 -0.1963
4792
71 -50.69744 0.0634 0.0825 -0.3542
4793
72 -50.69739 -0.0673 -0.0857 0.3557
4794
73 -50.69360 -0.0934 -0.0663 0.1498
4795
74 -50.69353 0.0977 0.0692 -0.1493
4796
75 -50.69156 0.4969 0.1914 0.1661
4797
76 -50.69153 -0.4953 -0.1897 -0.1675
4798
77 -50.67065 0.0708 0.0603 -0.2226
4799
78 -50.67063 -0.0716 -0.0608 0.2225
4800
79 -50.37978 0.4832 0.3561 -0.0089
4801
80 -50.37967 -0.4848 -0.3577 0.0089
4802
81 -50.36794 -0.1091 -0.0871 -0.0247
4803
82 -50.36781 0.1025 0.0845 0.0252
4804
83 -50.36314 -0.4906 -0.4136 0.0351
4805
84 -50.36304 0.4920 0.4156 -0.0357
4806
85 -50.34545 0.2066 -0.0813 0.0265
4807
86 -50.34532 -0.1998 0.0850 -0.0253
4808
87 -50.34024 -0.1320 -0.1788 -0.0692
4809
88 -50.34013 0.1400 0.1829 0.0687
4810
89 -50.32249 0.1950 0.1013 -0.0877
4811
90 -50.32236 -0.2031 -0.1069 0.0871
4812
91 -29.08020 -0.0014 -0.0006 0.1378
4813
92 -29.08020 0.0014 0.0006 -0.1378
4814
93 -29.07569 0.0023 0.0011 -0.0614
4815
94 -29.07569 -0.0008 -0.0002 0.0614
4816
95 -29.07495 -0.0023 -0.0011 0.0107
4817
96 -29.07495 0.0007 0.0001 -0.0108
4818
97 -29.06417 0.0014 0.0003 -0.1772
4819
98 -29.06417 -0.0013 -0.0002 0.1772
4820
99 -29.05159 0.3480 0.2040 -0.0001
4821
100 -29.05159 -0.3481 -0.2041 0.0001
4822
101 -29.04910 -0.3476 -0.2024 -0.0001
4823
102 -29.04909 0.3476 0.2025 0.0001
4824
103 -29.04705 -0.3436 -0.2071 -0.0009
4825
104 -29.04705 0.3436 0.2071 0.0009
4826
105 -29.03333 0.3442 0.2029 0.0002
4827
106 -29.03333 -0.3442 -0.2029 -0.0002
4828
107 -29.02457 -0.0061 -0.0034 0.1398
4829
108 -29.02457 -0.0018 -0.0011 -0.1398
4830
109 -29.02455 0.0057 0.0031 -0.1401
4831
110 -29.02455 0.0022 0.0014 0.1401
4832
111 -29.00455 0.3399 0.2014 0.0000
4833
112 -29.00454 -0.3400 -0.2014 -0.0000
4834
113 -29.00425 -0.3496 -0.2068 -0.0001
4835
114 -29.00423 0.3496 0.2068 0.0001
4836
115 -26.15001 -0.0915 -0.0630 0.0075
4837
116 -26.15001 0.0915 0.0630 -0.0075
4838
117 -26.13654 -0.1075 -0.0332 -0.0893
4839
118 -26.13654 0.1070 0.0329 0.0893
4840
119 -26.13444 0.1019 0.0412 0.0466
4841
120 -26.13444 -0.1013 -0.0409 -0.0466
4842
121 -26.10100 -0.0188 0.0432 0.0007
4843
122 -26.10100 0.0184 -0.0434 -0.0007
4844
123 -26.08895 0.0018 0.0254 0.2299
4845
124 -26.08895 -0.0014 -0.0252 -0.2299
4846
125 -26.08453 0.0182 0.0077 -0.3132
4847
126 -26.08453 -0.0176 -0.0074 0.3133
4848
127 -26.08420 -0.0264 -0.0086 0.4741
4849
128 -26.08420 0.0245 0.0076 -0.4743
4850
129 -26.08232 0.1489 -0.1137 -0.0683
4851
130 -26.08232 -0.1474 0.1144 0.0685
4852
131 -26.07528 -0.3525 -0.2271 -0.0070
4853
132 -26.07528 0.3529 0.2273 0.0070
4854
133 -26.07090 0.3337 0.2327 0.0119
4855
134 -26.07089 -0.3343 -0.2331 -0.0119
4856
135 -26.06390 -0.1236 -0.0739 0.0842
4857
136 -26.06388 0.1249 0.0739 -0.0839
4858
137 -26.06365 0.1042 0.0710 -0.1849
4859
138 -26.06363 -0.1037 -0.0697 0.1872
4860
139 -26.06319 0.0684 0.0293 0.0085
4861
140 -26.06319 -0.0704 -0.0306 -0.0112
4862
141 -26.04947 -0.4742 -0.2953 0.0002
4863
142 -26.04947 0.4742 0.2953 -0.0002
4864
143 -26.03387 -0.0201 -0.0025 0.2978
4865
144 -26.03387 0.0161 0.0005 -0.2979
4866
145 -26.03372 0.0177 0.0016 -0.2941
4867
146 -26.03372 -0.0136 0.0004 0.2941
4868
147 -26.02148 0.4232 0.2777 -0.0016
4869
148 -26.02148 -0.4233 -0.2777 0.0016
4870
149 -26.02091 -0.4612 -0.2980 0.0013
4871
150 -26.02090 0.4612 0.2979 -0.0013
4872
151 -18.92799 0.8620 0.5032 -0.0620
4873
152 -18.92799 -0.8620 -0.5032 0.0620
4874
153 -18.85206 0.8659 0.5001 -0.0033
4875
154 -18.85206 -0.8659 -0.5001 0.0033
4876
155 -18.83205 -0.8661 -0.4999 0.0004
4877
156 -18.83205 0.8661 0.4999 -0.0004
4878
157 -18.27504 0.8658 0.5003 0.0002
4879
158 -18.27504 -0.8658 -0.5003 -0.0002
4880
159 -18.05890 0.8659 0.5000 -0.0001
4881
160 -18.05890 -0.8659 -0.5000 0.0001
4882
161 -17.86099 0.8661 0.4998 -0.0007
4883
162 -17.86099 -0.8661 -0.4998 0.0007
4884
163 -17.44162 0.8658 0.5000 -0.0001
4885
164 -17.44162 -0.8658 -0.5000 0.0001
4886
165 -17.19000 0.8660 0.4997 -0.0005
4887
166 -17.19000 -0.8660 -0.4997 0.0005
4888
167 -17.07076 0.8657 0.5002 -0.0005
4889
168 -17.07076 -0.8657 -0.5002 0.0005
4890
169 -14.82705 0.8655 0.5008 0.0005
4891
170 -14.82705 -0.8655 -0.5008 -0.0005
4892
171 -14.58359 -0.8640 -0.5033 0.0003
4893
172 -14.58359 0.8640 0.5033 -0.0003
4894
173 -14.39232 -0.8657 -0.5001 -0.0003
4895
174 -14.39232 0.8657 0.5001 0.0003
4896
175 -13.40698 0.8680 0.4965 0.0007
4897
176 -13.40698 -0.8680 -0.4965 -0.0007
4898
177 -13.20775 -0.8675 -0.4974 -0.0029
4899
178 -13.20775 0.8675 0.4974 0.0029
4900
179 -13.09397 -0.8658 -0.5003 -0.0013
4901
180 -13.09397 0.8658 0.5003 0.0013
4902
181 -7.66516 0.8413 0.2577 -0.0737
4903
182 -7.66516 -0.8413 -0.2577 0.0737
4904
183 -7.45082 0.7268 0.3819 0.0047
4905
184 -7.45082 -0.7268 -0.3819 -0.0047
4906
185 -7.25768 0.5316 0.3071 -0.0012
4907
186 -7.25767 -0.5316 -0.3071 0.0012
4908
187 -6.88535 0.4271 0.2790 -0.0023
4909
188 -6.88535 -0.4271 -0.2790 0.0023
4910
189 -6.84311 0.1595 0.0989 0.0003
4911
190 -6.84311 -0.1595 -0.0989 -0.0003
4912
191 -6.62527 -0.3629 -0.2109 0.0025
4913
192 -6.62524 0.3629 0.2109 -0.0025
4914
193 -6.59185 0.2911 0.1694 -0.0060
4915
194 -6.59182 -0.2912 -0.1695 0.0060
4916
195 -6.45858 -0.2937 -0.1709 0.0889
4917
196 -6.45857 0.2887 0.1655 -0.1277
4918
197 -6.45454 0.0193 0.0125 -0.2134
4919
198 -6.45453 -0.0218 -0.0140 0.2147
4920
199 -6.39876 -0.0015 -0.0004 0.0029
4921
200 -6.39875 -0.0035 -0.0024 -0.0028
4922
201 -6.39548 0.0079 0.0032 0.0155
4923
202 -6.39547 -0.0084 -0.0035 -0.0158
4924
203 -6.27942 -0.2702 -0.1588 0.0136
4925
204 -6.27942 0.2754 0.1615 -0.0135
4926
205 -6.23465 0.2559 0.1518 0.0189
4927
206 -6.23465 -0.2495 -0.1483 -0.0190
4928
207 -6.06767 0.2994 0.1620 0.0053
4929
208 -6.06767 -0.3030 -0.1642 -0.0054
4930
209 -5.98900 -0.2654 -0.1452 0.0639
4931
210 -5.98900 0.2629 0.1437 -0.0639
4932
211 -5.95365 -0.0152 0.0042 -0.5561
4933
212 -5.95365 0.0137 -0.0051 0.5562
4934
213 -5.89538 -0.0020 0.0006 -0.1378
4935
214 -5.89538 0.0026 -0.0003 0.1378
4936
215 -5.78436 -0.1438 -0.0852 0.0088
4937
216 -5.78436 0.1438 0.0853 -0.0088
4938
217 -5.68804 0.0734 0.0405 -0.0025
4939
218 -5.68804 -0.0729 -0.0401 0.0025
4940
219 -5.42697 -0.7171 -0.4180 -0.0191
4941
220 -5.42693 0.6946 0.4049 0.0182
4942
221 -5.40429 0.0966 0.0581 0.0653
4943
222 -5.40426 -0.0776 -0.0468 -0.0643
4944
223 -5.36655 0.3757 0.1842 0.1045
4945
224 -5.36654 -0.3705 -0.1812 -0.1044
4946
225 -5.34622 0.0820 0.0371 -0.1671
4947
226 -5.34622 -0.0831 -0.0378 0.1668
4948
227 -5.28000 0.0004 0.0030 0.4368
4949
228 -5.28000 -0.0009 -0.0032 -0.4368
4950
229 -5.25000 -0.0020 -0.0018 -0.1531
4951
230 -5.25000 0.0023 0.0020 0.1531
4952
231 -5.01421 0.5925 0.2993 -0.0064
4953
232 -5.01420 -0.5932 -0.2996 0.0064
4954
233 -4.82866 0.5088 0.2978 0.0002
4955
234 -4.82865 -0.4923 -0.2882 -0.0001
4956
235 -4.77471 -0.5162 -0.2927 0.0003
4957
236 -4.77470 0.4980 0.2822 -0.0003
4958
237 -4.38161 -0.5919 -0.3395 -0.0003
4959
238 -4.38160 0.5894 0.3380 0.0003
4960
239 -4.24213 -0.4029 -0.2312 -0.0004
4961
240 -4.24213 0.4013 0.2301 0.0004
4962
241 -3.99106 0.2688 0.1562 -0.0006
4963
242 -3.99106 -0.2705 -0.1572 0.0006
4964
243 -3.84188 0.2469 0.1466 -0.0032
4965
244 -3.84188 -0.2490 -0.1481 0.0032
4966
245 -3.75712 -0.2431 -0.1407 0.0021
4967
246 -3.75712 0.2393 0.1381 -0.0021
4968
247 -2.98053 -0.4090 -0.2348 -0.0011
4969
248 -2.98053 0.4122 0.2368 0.0011
4970
249 -2.79739 -0.4043 -0.2425 0.0006
4971
250 -2.79739 0.4064 0.2439 -0.0006
4972
251 -2.59645 -0.4373 -0.2496 -0.0006
4973
252 -2.59644 0.4386 0.2506 0.0006
4974
253 -2.17608 -0.0008 -0.0018 -0.3590
4975
254 -2.17608 -0.0006 0.0010 0.3590
4976
255 -2.03659 -0.0013 0.0007 0.2391
4977
256 -2.03659 -0.0005 -0.0018 -0.2391
4978
257 -1.92635 -0.0011 -0.0004 0.3594
4979
258 -1.92635 -0.0008 -0.0007 -0.3594
4980
259 -1.32853 -0.5291 -0.2498 -0.0207
4981
260 -1.32853 0.5317 0.2513 0.0208
4982
261 -1.16533 0.5013 0.2765 0.0173
4983
262 -1.16533 -0.4996 -0.2754 -0.0173
4984
263 -1.07996 -0.0080 -0.0048 -0.9741
4985
264 -1.07996 0.0084 0.0050 0.9741
4986
265 -1.00856 0.5121 0.2722 0.0244
4987
266 -1.00856 -0.5104 -0.2711 -0.0244
4988
267 -0.96021 0.0067 0.0196 0.4965
4989
268 -0.96021 -0.0060 -0.0193 -0.4965
4990
269 -0.89542 -0.0037 0.0015 -0.7154
4991
270 -0.89542 0.0035 -0.0016 0.7154
4992
271 5.79077 0.9505 0.5483 0.0005
4993
272 5.79077 -0.9512 -0.5487 -0.0005
4994
273 6.10218 0.9177 0.5308 0.0005
4995
274 6.10218 -0.9186 -0.5313 -0.0005
4996
275 6.29161 0.9973 0.5799 -0.0073
4997
276 6.29161 -0.9983 -0.5804 0.0073
4998
277 6.93488 1.2643 0.7295 0.0115
4999
278 6.93488 -1.2624 -0.7284 -0.0115
5000
279 7.01688 1.3314 0.7639 0.0080
5001
280 7.01688 -1.3295 -0.7628 -0.0080
5002
281 7.22958 1.1087 0.6415 -0.0012
5003
282 7.22958 -1.1086 -0.6414 0.0012
5004
283 7.49591 -1.0867 -0.6242 -0.0102
5005
284 7.49591 1.0850 0.6232 0.0102
5006
285 7.62586 -1.1482 -0.6650 -0.0101
5007
286 7.62586 1.1466 0.6642 0.0101
5008
287 8.17015 1.4543 0.8393 -0.0121
5009
288 8.17016 -1.4532 -0.8386 0.0121
5010
289 9.13982 1.1937 0.6915 0.0609
5011
290 9.13984 -1.1905 -0.6897 -0.0609
5012
291 9.39340 -0.1116 -0.0655 -0.0922
5013
292 9.39343 0.1105 0.0651 0.0920
5014
293 9.53547 -0.0270 -0.0154 1.1108
5015
294 9.53547 0.0271 0.0154 -1.1105
5016
295 9.68208 1.1814 0.6803 0.1878
5017
296 9.68209 -1.1775 -0.6781 -0.1877
5018
297 9.82357 -0.0149 -0.0091 0.0849
5019
298 9.82357 0.0133 0.0083 -0.0849
5020
299 10.01971 0.0071 0.0036 -1.0937
5021
300 10.01971 -0.0073 -0.0037 1.0935
5022
301 10.37758 -0.8546 -0.4951 -0.0095
5023
302 10.37760 0.8580 0.4971 0.0095
5024
303 10.51272 -0.5353 -0.3056 0.2818
5025
304 10.51273 0.5348 0.3054 -0.2811
5026
305 10.64110 0.9658 0.5616 -0.2406
5027
306 10.64111 -0.9647 -0.5609 0.2400
5028
307 11.53331 -1.0093 -0.5826 0.0492
5029
308 11.53333 1.0060 0.5808 -0.0491
5030
309 11.81244 -0.5128 -0.2956 0.1063
5031
310 11.81245 0.5139 0.2962 -0.1061
5032
311 12.14119 0.7316 0.4225 -0.0650
5033
312 12.14123 -0.7299 -0.4215 0.0647
5034
313 12.89873 -0.0437 -0.0235 0.0240
5035
314 12.89875 0.0356 0.0189 -0.0237
5036
315 13.11163 -0.0024 -0.0295 -1.0135
5037
316 13.11163 0.0055 0.0313 1.0133
5038
317 13.46324 -0.0176 -0.0105 -0.0062
5039
318 13.46324 0.0168 0.0102 0.0062
5040
319 14.20759 -0.0277 -0.0126 0.0715
5041
320 14.20759 0.0275 0.0124 -0.0716
5042
321 14.71849 0.0123 0.0074 0.3021
5043
322 14.71849 -0.0135 -0.0081 -0.3020
5044
323 14.81629 0.0995 0.0591 -0.0171
5045
324 14.81633 -0.0979 -0.0582 0.0170
5046
325 14.96787 -0.1619 -0.0986 -0.0730
5047
326 14.96792 0.1603 0.0977 0.0732
5048
327 15.05360 0.4939 0.3050 0.0753
5049
328 15.05362 -0.4978 -0.3073 -0.0752
5050
329 15.19598 0.2681 0.1993 -0.6569
5051
330 15.19601 -0.2569 -0.1935 0.6564
5052
331 15.19863 -0.0009 -0.0045 0.6804
5053
332 15.19867 -0.0117 -0.0021 -0.6801
5054
333 15.31947 -0.0210 -0.0121 -0.0670
5055
334 15.31948 0.0219 0.0127 0.0670
5056
335 15.82480 0.0034 0.0011 -0.2223
5057
336 15.82480 -0.0034 -0.0011 0.2223
5058
337 16.24874 -0.8520 -0.4978 0.0014
5059
338 16.24875 0.8558 0.5001 -0.0014
5060
339 16.62884 -0.5790 -0.3332 0.0095
5061
340 16.62884 0.5828 0.3355 -0.0095
5062
341 17.18374 0.2949 0.1682 -0.0137
5063
342 17.18375 -0.2963 -0.1692 0.0137
5064
343 17.55407 -0.0057 0.0019 0.7591
5065
344 17.55407 0.0024 -0.0038 -0.7591
5066
345 17.75057 1.0529 0.5519 0.0407
5067
346 17.75057 -1.0489 -0.5495 -0.0407
5068
347 18.23478 0.1776 0.1041 -0.1136
5069
348 18.23479 -0.1774 -0.1042 0.1136
5070
349 18.53850 -0.0040 0.0002 0.7481
5071
350 18.53850 0.0030 -0.0008 -0.7480
5072
351 18.76555 0.0020 -0.0016 -0.9337
5073
352 18.76555 -0.0021 0.0015 0.9335
5074
353 19.21119 0.0164 0.0070 -0.3845
5075
354 19.21119 0.0129 0.0099 0.3843
5076
355 19.24866 0.0212 0.0185 0.1966
5077
356 19.24866 -0.0524 -0.0366 -0.1964
5078
357 19.44127 -0.0181 -0.0133 -0.0769
5079
358 19.44127 0.0181 0.0133 0.0770
5080
359 19.75416 -0.0018 0.0005 1.2886
5081
360 19.75416 0.0023 -0.0002 -1.2886
5082
361 20.20255 -0.0001 -0.0002 -0.6073
5083
362 20.20255 0.0005 0.0005 0.6073
5084
363 20.51024 -0.0176 -0.0127 -0.3165
5085
364 20.51024 0.0181 0.0129 0.3165
5086
365 21.07648 -0.0073 -0.0053 0.8342
5087
366 21.07648 0.0076 0.0054 -0.8342
5088
367 21.26308 0.6794 0.3837 -0.0231
5089
368 21.26309 -0.6785 -0.3832 0.0230
5090
369 21.33945 -0.6437 -0.3706 0.0123
5091
370 21.33946 0.6424 0.3699 -0.0123
5092
371 21.78861 -0.6820 -0.3929 0.0003
5093
372 21.78861 0.6817 0.3927 -0.0003
5094
373 25.90995 1.0632 0.6131 0.0079
5095
374 25.90995 -1.0630 -0.6130 -0.0079
5096
375 27.95818 -1.0093 -0.5760 -0.0004
5097
376 27.95818 1.0089 0.5758 0.0004
5098
377 31.13796 1.0045 0.5806 -0.0014
5099
378 31.13796 -1.0050 -0.5809 0.0014
5100
379 39.40581 -0.6047 -0.3490 -0.0001
5101
380 39.40581 0.6044 0.3488 0.0001
5102
381 42.22538 0.7359 0.4204 0.0063
5103
382 42.22538 -0.7360 -0.4204 -0.0063
5104
383 46.54510 -0.7799 -0.4498 0.0010
5105
384 46.54510 0.7800 0.4499 -0.0010
5106
385 50.27645 0.7545 0.4354 -0.0071
5107
386 50.27645 -0.7545 -0.4355 0.0071
5108
387 52.16722 0.7056 0.4061 -0.0048
5109
388 52.16722 -0.7056 -0.4061 0.0048
5110
389 53.96639 0.6765 0.3906 -0.0265
5111
390 53.96639 -0.6765 -0.3906 0.0265
5112
5113
k-point 14 ( -0.003099 0.003693 0.000000 ) (Bohr^-1)
5114
ie e(eV) Sx Sy Sz
5115
1 -51.72595 0.2436 0.3781 0.0110
5116
2 -51.72595 -0.2435 -0.3780 -0.0110
5117
3 -51.67055 -0.3412 -0.2643 -0.0129
5118
4 -51.67053 0.3406 0.2656 0.0133
5119
5 -51.66991 0.3321 0.2827 -0.0046
5120
6 -51.66986 -0.3323 -0.2832 0.0046
5121
7 -51.66901 0.1704 -0.1874 -0.0916
5122
8 -51.66894 -0.1755 0.1921 0.0999
5123
9 -51.66712 -0.0218 0.0101 -0.1344
5124
10 -51.66703 0.0267 -0.0166 0.1266
5125
11 -51.66347 -0.2743 -0.2680 -0.0031
5126
12 -51.66336 0.2739 0.2679 0.0025
5127
13 -51.65083 -0.0394 -0.0128 -0.2597
5128
14 -51.65081 0.0420 0.0150 0.2595
5129
15 -51.62123 0.0205 -0.0035 0.2787
5130
16 -51.62122 -0.0220 0.0023 -0.2786
5131
17 -51.61745 -0.2885 -0.4080 0.0325
5132
18 -51.61732 0.2907 0.4116 -0.0314
5133
19 -51.61429 -0.2070 -0.0155 -0.0397
5134
20 -51.61414 0.2087 0.0146 0.0382
5135
21 -51.61141 0.1148 0.3735 0.0449
5136
22 -51.61138 -0.1110 -0.3715 -0.0456
5137
23 -51.60396 0.0079 -0.0055 0.0889
5138
24 -51.60393 -0.0121 0.0031 -0.0883
5139
25 -51.60082 0.0139 -0.0056 0.1699
5140
26 -51.60079 -0.0184 0.0024 -0.1695
5141
27 -51.58233 -0.0319 -0.0060 -0.0622
5142
28 -51.58232 0.0330 0.0069 0.0622
5143
29 -51.26111 -0.3141 -0.0493 0.0355
5144
30 -51.26105 0.3228 0.0549 -0.0376
5145
31 -51.25335 0.0751 0.0360 0.2204
5146
32 -51.25328 -0.0837 -0.0415 -0.2183
5147
33 -51.25217 0.3444 0.2609 -0.0130
5148
34 -51.25209 -0.3473 -0.2632 0.0132
5149
35 -51.22184 -0.0218 0.0039 -0.2621
5150
36 -51.22182 0.0246 -0.0017 0.2620
5151
37 -50.84149 -0.4203 -0.4925 0.0018
5152
38 -50.84149 0.4203 0.4924 -0.0018
5153
39 -50.80217 -0.0769 0.0009 0.0883
5154
40 -50.80215 0.0760 -0.0017 -0.0884
5155
41 -50.78402 0.3862 0.5119 -0.0133
5156
42 -50.78391 -0.3785 -0.5117 0.0177
5157
43 -50.78355 -0.3934 -0.5158 0.0118
5158
44 -50.78344 0.3858 0.5277 -0.0229
5159
45 -50.78294 0.0223 0.0923 0.3121
5160
46 -50.78293 -0.0205 -0.1027 -0.3049
5161
47 -50.77953 0.1172 0.2478 -0.1031
5162
48 -50.77946 -0.1190 -0.2555 0.1026
5163
49 -50.76952 -0.5000 -0.0197 0.0573
5164
50 -50.76939 0.5126 0.0386 -0.0548
5165
51 -50.76471 0.1191 -0.1306 -0.2182
5166
52 -50.76465 -0.1272 0.1228 0.2160
5167
53 -50.75069 0.3837 0.0604 -0.0175
5168
54 -50.75056 -0.3796 -0.0516 0.0149
5169
55 -50.74878 -0.0180 0.0132 0.4768
5170
56 -50.74876 0.0105 -0.0088 -0.4815
5171
57 -50.74856 -0.0670 0.0108 -0.0869
5172
58 -50.74850 0.0765 -0.0258 0.0914
5173
59 -50.74818 -0.1032 0.0016 0.0253
5174
60 -50.74813 0.0902 -0.0069 -0.0230
5175
61 -50.73809 0.0613 0.0988 -0.1390
5176
62 -50.73807 -0.0599 -0.0973 0.1387
5177
63 -50.73671 0.1832 0.2050 -0.0709
5178
64 -50.73668 -0.1829 -0.2055 0.0719
5179
65 -50.71702 0.2066 -0.0251 0.2744
5180
66 -50.71699 -0.2057 0.0282 -0.2766
5181
67 -50.71107 -0.4252 -0.1575 -0.0859
5182
68 -50.71102 0.4224 0.1531 0.0872
5183
69 -50.70752 -0.0673 -0.0572 0.1322
5184
70 -50.70748 0.0694 0.0590 -0.1321
5185
71 -50.69744 0.0617 0.0891 -0.2322
5186
72 -50.69739 -0.0654 -0.0929 0.2332
5187
73 -50.69360 -0.0833 -0.0802 0.0986
5188
74 -50.69353 0.0872 0.0838 -0.0982
5189
75 -50.69156 0.4690 0.3051 0.1264
5190
76 -50.69154 -0.4674 -0.3031 -0.1273
5191
77 -50.67065 0.0643 0.0699 -0.1454
5192
78 -50.67063 -0.0650 -0.0705 0.1453
5193
79 -50.37978 0.4462 0.4399 -0.0061
5194
80 -50.37967 -0.4476 -0.4417 0.0061
5195
81 -50.36794 -0.0964 -0.1002 -0.0171
5196
82 -50.36780 0.0907 0.0965 0.0175
5197
83 -50.36314 -0.4759 -0.5134 0.0250
5198
84 -50.36304 0.4774 0.5156 -0.0254
5199
85 -50.34545 0.1506 -0.0450 0.0184
5200
86 -50.34532 -0.1446 0.0498 -0.0176
5201
87 -50.34024 -0.1337 -0.1977 -0.0470
5202
88 -50.34013 0.1407 0.2032 0.0467
5203
89 -50.32249 0.1757 0.1377 -0.0607
5204
90 -50.32236 -0.1831 -0.1446 0.0602
5205
91 -29.08020 -0.0013 -0.0010 0.0836
5206
92 -29.08020 0.0013 0.0010 -0.0836
5207
93 -29.07569 0.0021 0.0015 -0.0426
5208
94 -29.07569 -0.0007 -0.0004 0.0426
5209
95 -29.07495 -0.0021 -0.0015 0.0070
5210
96 -29.07495 0.0006 0.0003 -0.0070
5211
97 -29.06417 0.0011 0.0006 -0.1573
5212
98 -29.06417 -0.0010 -0.0005 0.1573
5213
99 -29.05159 0.3079 0.2613 -0.0001
5214
100 -29.05159 -0.3080 -0.2614 0.0001
5215
101 -29.04910 -0.3077 -0.2596 -0.0000
5216
102 -29.04909 0.3077 0.2597 0.0000
5217
103 -29.04705 -0.3042 -0.2621 -0.0007
5218
104 -29.04705 0.3042 0.2621 0.0007
5219
105 -29.03333 0.3047 0.2591 0.0002
5220
106 -29.03333 -0.3047 -0.2591 -0.0002
5221
107 -29.02457 -0.0053 -0.0043 0.1046
5222
108 -29.02457 -0.0016 -0.0015 -0.1046
5223
109 -29.02455 0.0049 0.0040 -0.1049
5224
110 -29.02455 0.0020 0.0018 0.1049
5225
111 -29.00455 0.3010 0.2568 0.0001
5226
112 -29.00454 -0.3010 -0.2568 -0.0001
5227
113 -29.00425 -0.3095 -0.2639 -0.0001
5228
114 -29.00423 0.3095 0.2639 0.0001
5229
115 -26.15001 -0.0806 -0.0759 0.0052
5230
116 -26.15001 0.0807 0.0760 -0.0052
5231
117 -26.13654 -0.0973 -0.0554 -0.0764
5232
118 -26.13654 0.0968 0.0550 0.0764
5233
119 -26.13444 0.0908 0.0608 0.0389
5234
120 -26.13444 -0.0902 -0.0604 -0.0389
5235
121 -26.10100 -0.0079 0.0454 0.0141
5236
122 -26.10100 0.0075 -0.0457 -0.0141
5237
123 -26.08895 0.0057 0.0253 0.1508
5238
124 -26.08895 -0.0053 -0.0250 -0.1508
5239
125 -26.08453 0.0153 0.0106 -0.2119
5240
126 -26.08453 -0.0147 -0.0102 0.2119
5241
127 -26.08420 -0.0269 -0.0161 0.3879
5242
128 -26.08420 0.0251 0.0147 -0.3880
5243
129 -26.08232 0.1406 -0.1285 -0.0679
5244
130 -26.08232 -0.1393 0.1295 0.0680
5245
131 -26.07528 -0.3151 -0.2843 -0.0048
5246
132 -26.07528 0.3155 0.2846 0.0048
5247
133 -26.07090 0.2969 0.2822 0.0080
5248
134 -26.07089 -0.2975 -0.2826 -0.0080
5249
135 -26.06390 -0.1080 -0.0922 0.0577
5250
136 -26.06388 0.1089 0.0923 -0.0572
5251
137 -26.06365 0.0930 0.0865 -0.1390
5252
138 -26.06363 -0.0924 -0.0850 0.1409
5253
139 -26.06319 0.0598 0.0391 -0.0150
5254
140 -26.06319 -0.0616 -0.0408 0.0126
5255
141 -26.04947 -0.4220 -0.3724 0.0001
5256
142 -26.04947 0.4220 0.3724 -0.0001
5257
143 -26.03387 -0.0172 -0.0068 0.2171
5258
144 -26.03387 0.0137 0.0041 -0.2171
5259
145 -26.03372 0.0152 0.0057 -0.2125
5260
146 -26.03372 -0.0116 -0.0029 0.2126
5261
147 -26.02148 0.3772 0.3443 -0.0011
5262
148 -26.02148 -0.3773 -0.3443 0.0011
5263
149 -26.02090 -0.4106 -0.3709 0.0009
5264
150 -26.02090 0.4106 0.3709 -0.0009
5265
151 -18.92799 0.7628 0.6450 -0.0446
5266
152 -18.92799 -0.7628 -0.6450 0.0446
5267
153 -18.85206 0.7660 0.6429 -0.0025
5268
154 -18.85206 -0.7660 -0.6429 0.0025
5269
155 -18.83205 -0.7661 -0.6427 0.0005
5270
156 -18.83205 0.7661 0.6427 -0.0005
5271
157 -18.27504 0.7658 0.6430 0.0002
5272
158 -18.27504 -0.7658 -0.6430 -0.0002
5273
159 -18.05890 0.7659 0.6428 -0.0000
5274
160 -18.05890 -0.7659 -0.6428 0.0000
5275
161 -17.86099 0.7661 0.6426 -0.0004
5276
162 -17.86099 -0.7661 -0.6426 0.0004
5277
163 -17.44162 0.7659 0.6427 -0.0001
5278
164 -17.44162 -0.7659 -0.6427 0.0001
5279
165 -17.19000 0.7660 0.6425 -0.0003
5280
166 -17.19000 -0.7660 -0.6425 0.0003
5281
167 -17.07076 0.7657 0.6429 -0.0004
5282
168 -17.07076 -0.7657 -0.6429 0.0004
5283
169 -14.82705 0.7655 0.6433 0.0003
5284
170 -14.82705 -0.7655 -0.6433 -0.0003
5285
171 -14.58359 -0.7644 -0.6446 -0.0001
5286
172 -14.58359 0.7644 0.6446 0.0001
5287
173 -14.39232 -0.7658 -0.6428 -0.0002
5288
174 -14.39232 0.7658 0.6428 0.0002
5289
175 -13.40698 0.7680 0.6404 0.0008
5290
176 -13.40698 -0.7680 -0.6404 -0.0008
5291
177 -13.20775 -0.7674 -0.6411 -0.0026
5292
178 -13.20775 0.7674 0.6411 0.0026
5293
179 -13.09397 -0.7659 -0.6430 -0.0009
5294
180 -13.09397 0.7659 0.6430 0.0009
5295
181 -7.66516 0.7672 0.4347 -0.0547
5296
182 -7.66516 -0.7672 -0.4347 0.0547
5297
183 -7.45082 0.6445 0.5087 0.0052
5298
184 -7.45082 -0.6445 -0.5087 -0.0052
5299
185 -7.25768 0.4703 0.3947 -0.0010
5300
186 -7.25767 -0.4703 -0.3947 0.0010
5301
187 -6.88535 0.3773 0.3435 -0.0020
5302
188 -6.88535 -0.3773 -0.3435 0.0020
5303
189 -6.84311 0.1410 0.1241 0.0000
5304
190 -6.84311 -0.1410 -0.1241 -0.0000
5305
191 -6.62528 -0.3212 -0.2706 0.0022
5306
192 -6.62524 0.3212 0.2706 -0.0022
5307
193 -6.59185 0.2577 0.2174 -0.0052
5308
194 -6.59182 -0.2577 -0.2174 0.0052
5309
195 -6.45858 -0.2788 -0.1787 0.0798
5310
196 -6.45857 0.2679 0.2054 -0.1149
5311
197 -6.45454 0.0141 0.0424 -0.1980
5312
198 -6.45453 -0.0163 -0.0442 0.1991
5313
199 -6.39877 -0.0024 -0.0005 0.0057
5314
200 -6.39877 -0.0020 -0.0032 -0.0056
5315
201 -6.39546 0.0051 0.0125 0.0142
5316
202 -6.39546 -0.0056 -0.0128 -0.0144
5317
203 -6.27942 -0.2397 -0.2027 0.0112
5318
204 -6.27942 0.2442 0.2061 -0.0110
5319
205 -6.23465 0.2268 0.1936 0.0156
5320
206 -6.23465 -0.2212 -0.1892 -0.0156
5321
207 -6.06767 0.2654 0.2135 0.0049
5322
208 -6.06766 -0.2686 -0.2163 -0.0049
5323
209 -5.98900 -0.2407 -0.1949 0.0508
5324
210 -5.98900 0.2384 0.1930 -0.0508
5325
211 -5.95365 -0.0129 0.0110 -0.5415
5326
212 -5.95365 0.0116 -0.0120 0.5415
5327
213 -5.89538 -0.0020 0.0008 0.0065
5328
214 -5.89538 0.0025 -0.0003 -0.0065
5329
215 -5.78436 -0.1272 -0.1086 0.0067
5330
216 -5.78436 0.1272 0.1087 -0.0067
5331
217 -5.68804 0.0652 0.0531 -0.0021
5332
218 -5.68804 -0.0647 -0.0525 0.0022
5333
219 -5.42698 -0.6344 -0.5354 -0.0166
5334
220 -5.42694 0.6145 0.5187 0.0158
5335
221 -5.40427 0.0856 0.0738 0.0563
5336
222 -5.40424 -0.0688 -0.0594 -0.0554
5337
223 -5.36655 0.3349 0.2527 0.0923
5338
224 -5.36654 -0.3303 -0.2488 -0.0923
5339
225 -5.34623 0.0737 0.0502 -0.1532
5340
226 -5.34622 -0.0747 -0.0511 0.1530
5341
227 -5.28000 0.0009 0.0031 0.3236
5342
228 -5.28000 -0.0013 -0.0034 -0.3236
5343
229 -5.25000 -0.0010 -0.0014 -0.1596
5344
230 -5.25000 0.0012 0.0016 0.1596
5345
231 -5.01421 0.5261 0.4048 -0.0045
5346
232 -5.01420 -0.5267 -0.4052 0.0045
5347
233 -4.82866 0.4500 0.3810 0.0001
5348
234 -4.82865 -0.4354 -0.3687 -0.0001
5349
235 -4.77471 -0.4567 -0.3788 0.0001
5350
236 -4.77470 0.4406 0.3653 -0.0002
5351
237 -4.38161 -0.5237 -0.4375 -0.0004
5352
238 -4.38160 0.5214 0.4356 0.0004
5353
239 -4.24213 -0.3564 -0.2979 -0.0004
5354
240 -4.24213 0.3550 0.2965 0.0004
5355
241 -3.99106 0.2378 0.2003 -0.0004
5356
242 -3.99106 -0.2393 -0.2016 0.0004
5357
243 -3.84188 0.2183 0.1865 -0.0023
5358
244 -3.84188 -0.2201 -0.1883 0.0023
5359
245 -3.75712 -0.2151 -0.1808 0.0015
5360
246 -3.75712 0.2117 0.1776 -0.0015
5361
247 -2.98053 -0.3618 -0.3025 -0.0009
5362
248 -2.98053 0.3647 0.3050 0.0009
5363
249 -2.79739 -0.3574 -0.3075 0.0003
5364
250 -2.79739 0.3593 0.3093 -0.0003
5365
251 -2.59645 -0.3869 -0.3222 -0.0004
5366
252 -2.59644 0.3880 0.3234 0.0005
5367
253 -2.17608 -0.0009 -0.0021 -0.2564
5368
254 -2.17608 -0.0003 0.0011 0.2564
5369
255 -2.03659 -0.0009 0.0007 0.1762
5370
256 -2.03659 -0.0007 -0.0020 -0.1762
5371
257 -1.92635 -0.0010 -0.0005 0.3205
5372
258 -1.92635 -0.0007 -0.0010 -0.3205
5373
259 -1.32853 -0.4710 -0.3483 -0.0172
5374
260 -1.32853 0.4732 0.3502 0.0172
5375
261 -1.16533 0.4439 0.3616 0.0148
5376
262 -1.16533 -0.4424 -0.3603 -0.0148
5377
263 -1.07996 -0.0077 -0.0062 -0.8863
5378
264 -1.07996 0.0080 0.0065 0.8864
5379
265 -1.00856 0.4540 0.3611 0.0209
5380
266 -1.00856 -0.4525 -0.3597 -0.0209
5381
267 -0.96021 0.0083 0.0189 0.3784
5382
268 -0.96021 -0.0078 -0.0184 -0.3784
5383
269 -0.89542 -0.0034 0.0028 -0.6118
5384
270 -0.89542 0.0032 -0.0030 0.6118
5385
271 5.79077 0.8408 0.7051 0.0004
5386
272 5.79077 -0.8414 -0.7056 -0.0004
5387
273 6.10218 0.8117 0.6819 0.0004
5388
274 6.10218 -0.8125 -0.6825 -0.0004
5389
275 6.29161 0.8820 0.7437 -0.0054
5390
276 6.29161 -0.8829 -0.7443 0.0054
5391
277 6.93488 1.1184 0.9380 0.0099
5392
278 6.93488 -1.1167 -0.9366 -0.0099
5393
279 7.01688 1.1779 0.9843 0.0068
5394
280 7.01688 -1.1762 -0.9829 -0.0068
5395
281 7.22958 0.9806 0.8241 -0.0010
5396
282 7.22958 -0.9805 -0.8240 0.0010
5397
283 7.49591 -0.9614 -0.8040 -0.0084
5398
284 7.49591 0.9598 0.8028 0.0084
5399
285 7.62586 -1.0156 -0.8540 -0.0092
5400
286 7.62586 1.0142 0.8529 0.0092
5401
287 8.17015 1.2864 1.0791 -0.0104
5402
288 8.17016 -1.2854 -1.0783 0.0104
5403
289 9.13982 1.0560 0.8882 0.0525
5404
290 9.13984 -1.0532 -0.8859 -0.0525
5405
291 9.39341 -0.0992 -0.0828 -0.0799
5406
292 9.39343 0.0983 0.0821 0.0797
5407
293 9.53547 -0.0301 -0.0086 1.1073
5408
294 9.53547 0.0301 0.0086 -1.1071
5409
295 9.68208 1.0480 0.8771 0.1613
5410
296 9.68209 -1.0446 -0.8741 -0.1613
5411
297 9.82357 -0.0134 -0.0113 0.0733
5412
298 9.82357 0.0119 0.0101 -0.0733
5413
299 10.01970 0.0082 -0.0014 -1.0884
5414
300 10.01971 -0.0084 0.0013 1.0882
5415
301 10.37759 -0.7564 -0.6348 -0.0082
5416
302 10.37762 0.7595 0.6374 0.0082
5417
303 10.51269 -0.4750 -0.4022 0.2448
5418
304 10.51271 0.4746 0.4019 -0.2443
5419
305 10.64111 0.8598 0.7227 -0.2087
5420
306 10.64113 -0.8589 -0.7219 0.2082
5421
307 11.53331 -0.8930 -0.7491 0.0427
5422
308 11.53333 0.8900 0.7468 -0.0426
5423
309 11.81245 -0.4541 -0.3808 0.0933
5424
310 11.81245 0.4551 0.3815 -0.0932
5425
311 12.14118 0.6474 0.5430 -0.0569
5426
312 12.14122 -0.6459 -0.5417 0.0567
5427
313 12.89874 -0.0384 -0.0335 0.0199
5428
314 12.89875 0.0312 0.0277 -0.0196
5429
315 13.11163 -0.0034 -0.0532 -0.8855
5430
316 13.11163 0.0062 0.0555 0.8853
5431
317 13.46324 -0.0156 -0.0133 -0.0023
5432
318 13.46324 0.0149 0.0130 0.0023
5433
319 14.20759 -0.0257 -0.0164 0.0358
5434
320 14.20759 0.0255 0.0162 -0.0359
5435
321 14.71849 0.0106 0.0106 0.2134
5436
322 14.71849 -0.0116 -0.0115 -0.2134
5437
323 14.81628 0.0884 0.0755 -0.0146
5438
324 14.81632 -0.0870 -0.0743 0.0145
5439
325 14.96787 -0.1435 -0.1247 -0.0630
5440
326 14.96792 0.1421 0.1236 0.0632
5441
327 15.05360 0.4383 0.3859 0.0651
5442
328 15.05363 -0.4418 -0.3888 -0.0650
5443
329 15.19597 0.2332 0.2446 -0.5472
5444
330 15.19601 -0.2233 -0.2370 0.5468
5445
331 15.19863 -0.0015 -0.0050 0.5611
5446
332 15.19867 -0.0095 -0.0035 -0.5609
5447
333 15.31947 -0.0186 -0.0155 -0.0619
5448
334 15.31947 0.0194 0.0162 0.0619
5449
335 15.82480 0.0033 -0.0011 -0.1774
5450
336 15.82480 -0.0034 0.0011 0.1774
5451
337 16.24874 -0.7535 -0.6371 0.0008
5452
338 16.24875 0.7569 0.6401 -0.0008
5453
339 16.62884 -0.5122 -0.4289 0.0079
5454
340 16.62884 0.5155 0.4319 -0.0079
5455
341 17.18374 0.2614 0.2173 -0.0103
5456
342 17.18375 -0.2626 -0.2185 0.0103
5457
343 17.55407 -0.0062 0.0059 0.5489
5458
344 17.55407 0.0033 -0.0084 -0.5488
5459
345 17.75057 0.9347 0.7354 0.0311
5460
346 17.75057 -0.9312 -0.7323 -0.0312
5461
347 18.23479 0.1586 0.1343 -0.0838
5462
348 18.23479 -0.1585 -0.1344 0.0838
5463
349 18.53850 -0.0035 -0.0033 0.6474
5464
350 18.53850 0.0026 0.0025 -0.6473
5465
351 18.76554 0.0018 -0.0033 -0.9045
5466
352 18.76555 -0.0019 0.0032 0.9043
5467
353 19.21119 0.0138 0.0095 -0.4568
5468
354 19.21119 0.0121 0.0123 0.4567
5469
355 19.24866 0.0191 0.0205 0.1529
5470
356 19.24866 -0.0467 -0.0438 -0.1526
5471
357 19.44127 -0.0164 -0.0166 -0.0652
5472
358 19.44127 0.0165 0.0166 0.0653
5473
359 19.75416 -0.0013 -0.0015 1.2905
5474
360 19.75416 0.0018 0.0019 -1.2905
5475
361 20.20255 -0.0002 0.0001 -0.6084
5476
362 20.20255 0.0006 0.0003 0.6084
5477
363 20.51024 -0.0161 -0.0157 -0.1582
5478
364 20.51024 0.0166 0.0159 0.1583
5479
365 21.07648 -0.0102 -0.0022 0.8336
5480
366 21.07648 0.0105 0.0024 -0.8336
5481
367 21.26308 0.6014 0.4972 -0.0200
5482
368 21.26309 -0.6006 -0.4965 0.0200
5483
369 21.33945 -0.5694 -0.4768 0.0105
5484
370 21.33946 0.5683 0.4760 -0.0104
5485
371 21.78861 -0.6033 -0.5055 0.0002
5486
372 21.78861 0.6030 0.5053 -0.0002
5487
373 25.90995 0.9405 0.7886 0.0062
5488
374 25.90995 -0.9403 -0.7884 -0.0062
5489
375 27.95818 -0.8930 -0.7436 -0.0006
5490
376 27.95818 0.8927 0.7434 0.0006
5491
377 31.13796 0.8885 0.7462 -0.0011
5492
378 31.13796 -0.8889 -0.7465 0.0011
5493
379 39.40581 -0.5349 -0.4487 -0.0000
5494
380 39.40581 0.5347 0.4484 0.0000
5495
381 42.22538 0.6511 0.5425 0.0047
5496
382 42.22538 -0.6512 -0.5426 -0.0047
5497
383 46.54510 -0.6899 -0.5785 0.0010
5498
384 46.54510 0.6900 0.5786 -0.0010
5499
385 50.27645 0.6674 0.5599 -0.0062
5500
386 50.27645 -0.6674 -0.5599 0.0062
5501
387 52.16722 0.6242 0.5227 -0.0040
5502
388 52.16722 -0.6242 -0.5227 0.0040
5503
389 53.96639 0.5985 0.5022 -0.0232
5504
390 53.96639 -0.5985 -0.5022 0.0232
5505
5506
k-point 15 ( -0.003693 0.003099 0.000000 ) (Bohr^-1)
5507
ie e(eV) Sx Sy Sz
5508
1 -51.72596 0.2346 0.3850 0.0054
5509
2 -51.72595 -0.2345 -0.3849 -0.0054
5510
3 -51.67055 -0.2912 -0.3327 -0.0068
5511
4 -51.67053 0.2912 0.3338 0.0069
5512
5 -51.66991 0.2821 0.3387 -0.0024
5513
6 -51.66986 -0.2823 -0.3392 0.0024
5514
7 -51.66899 0.1239 -0.2490 -0.0896
5515
8 -51.66896 -0.1261 0.2521 0.0938
5516
9 -51.66711 -0.0123 0.0044 -0.0718
5517
10 -51.66703 0.0139 -0.0092 0.0678
5518
11 -51.66347 -0.2377 -0.3071 -0.0016
5519
12 -51.66336 0.2374 0.3069 0.0013
5520
13 -51.65083 -0.0310 -0.0232 -0.1447
5521
14 -51.65081 0.0332 0.0258 0.1445
5522
15 -51.62123 0.0143 0.0021 0.1656
5523
16 -51.62122 -0.0155 -0.0036 -0.1655
5524
17 -51.61745 -0.2839 -0.4447 0.0167
5525
18 -51.61732 0.2862 0.4485 -0.0161
5526
19 -51.61429 -0.1382 -0.0634 -0.0204
5527
20 -51.61414 0.1391 0.0629 0.0196
5528
21 -51.61141 0.1613 0.3682 0.0229
5529
22 -51.61138 -0.1584 -0.3655 -0.0232
5530
23 -51.60396 0.0037 -0.0032 0.0442
5531
24 -51.60393 -0.0070 0.0000 -0.0438
5532
25 -51.60082 0.0079 -0.0018 0.0898
5533
26 -51.60079 -0.0115 -0.0022 -0.0896
5534
27 -51.58233 -0.0222 -0.0133 -0.0326
5535
28 -51.58232 0.0232 0.0144 0.0326
5536
29 -51.26110 -0.3520 -0.1965 0.0299
5537
30 -51.26106 0.3589 0.2036 -0.0310
5538
31 -51.25335 0.0598 0.0534 0.1180
5539
32 -51.25328 -0.0666 -0.0604 -0.1169
5540
33 -51.25217 0.2947 0.3327 -0.0069
5541
34 -51.25209 -0.2971 -0.3354 0.0070
5542
35 -51.22184 -0.0148 -0.0020 -0.1505
5543
36 -51.22182 0.0170 0.0046 0.1505
5544
37 -50.84149 -0.3765 -0.5353 0.0008
5545
38 -50.84149 0.3765 0.5353 -0.0008
5546
39 -50.80217 -0.0493 -0.0172 0.0449
5547
40 -50.80215 0.0485 0.0162 -0.0450
5548
41 -50.78403 0.3563 0.5398 -0.0065
5549
42 -50.78391 -0.3513 -0.5378 0.0087
5550
43 -50.78355 -0.3628 -0.5467 0.0058
5551
44 -50.78344 0.3609 0.5561 -0.0113
5552
45 -50.78294 0.0588 0.1499 0.2621
5553
46 -50.78293 -0.0603 -0.1594 -0.2585
5554
47 -50.77952 0.1507 0.2868 -0.0591
5555
48 -50.77947 -0.1536 -0.2943 0.0589
5556
49 -50.76951 -0.3575 -0.1487 0.0318
5557
50 -50.76939 0.3701 0.1689 -0.0305
5558
51 -50.76470 0.0813 -0.1535 -0.1892
5559
52 -50.76466 -0.0883 0.1445 0.1881
5560
53 -50.75068 0.2885 0.1599 -0.0097
5561
54 -50.75057 -0.2838 -0.1510 0.0084
5562
55 -50.74877 -0.0149 0.0136 0.4742
5563
56 -50.74877 0.0111 -0.0113 -0.4766
5564
57 -50.74856 -0.0417 -0.0053 -0.0448
5565
58 -50.74850 0.0444 -0.0062 0.0471
5566
59 -50.74818 -0.0653 -0.0220 0.0130
5567
60 -50.74813 0.0556 0.0142 -0.0118
5568
61 -50.73809 0.0615 0.1029 -0.0697
5569
62 -50.73807 -0.0602 -0.1011 0.0696
5570
63 -50.73671 0.1766 0.2451 -0.0382
5571
64 -50.73668 -0.1764 -0.2455 0.0388
5572
65 -50.71702 0.1683 0.0331 0.1851
5573
66 -50.71699 -0.1670 -0.0301 -0.1862
5574
67 -50.71107 -0.3306 -0.2592 -0.0465
5575
68 -50.71102 0.3277 0.2545 0.0471
5576
69 -50.70752 -0.0571 -0.0685 0.0663
5577
70 -50.70748 0.0588 0.0706 -0.0663
5578
71 -50.69744 0.0591 0.0937 -0.1147
5579
72 -50.69739 -0.0624 -0.0979 0.1152
5580
73 -50.69360 -0.0715 -0.0917 0.0488
5581
74 -50.69352 0.0749 0.0959 -0.0486
5582
75 -50.69156 0.4046 0.4215 0.0697
5583
76 -50.69154 -0.4031 -0.4193 -0.0702
5584
77 -50.67065 0.0567 0.0775 -0.0716
5585
78 -50.67063 -0.0573 -0.0783 0.0716
5586
79 -50.37978 0.3928 0.5100 -0.0031
5587
80 -50.37967 -0.3942 -0.5120 0.0031
5588
81 -50.36794 -0.0831 -0.1110 -0.0088
5589
82 -50.36780 0.0787 0.1063 0.0090
5590
83 -50.36314 -0.4385 -0.5971 0.0131
5591
84 -50.36305 0.4400 0.5994 -0.0133
5592
85 -50.34545 0.0873 -0.0060 0.0094
5593
86 -50.34532 -0.0823 0.0118 -0.0090
5594
87 -50.34024 -0.1317 -0.2110 -0.0238
5595
88 -50.34013 0.1375 0.2176 0.0236
5596
89 -50.32249 0.1482 0.1703 -0.0310
5597
90 -50.32237 -0.1545 -0.1783 0.0308
5598
91 -29.08020 -0.0011 -0.0013 0.0437
5599
92 -29.08020 0.0011 0.0012 -0.0437
5600
93 -29.07569 0.0017 0.0019 -0.0219
5601
94 -29.07569 -0.0006 -0.0006 0.0219
5602
95 -29.07495 -0.0017 -0.0019 0.0031
5603
96 -29.07495 0.0005 0.0005 -0.0031
5604
97 -29.06417 0.0007 0.0008 -0.1313
5605
98 -29.06417 -0.0006 -0.0007 0.1313
5606
99 -29.05159 0.2585 0.3105 -0.0000
5607
100 -29.05159 -0.2586 -0.3106 0.0000
5608
101 -29.04910 -0.2585 -0.3090 0.0000
5609
102 -29.04909 0.2586 0.3090 -0.0000
5610
103 -29.04705 -0.2565 -0.3092 -0.0003
5611
104 -29.04705 0.2565 0.3092 0.0003
5612
105 -29.03333 0.2562 0.3074 0.0002
5613
106 -29.03333 -0.2562 -0.3074 -0.0002
5614
107 -29.02457 -0.0044 -0.0051 0.0563
5615
108 -29.02457 -0.0014 -0.0018 -0.0563
5616
109 -29.02455 0.0041 0.0048 -0.0567
5617
110 -29.02455 0.0017 0.0022 0.0567
5618
111 -29.00455 0.2532 0.3045 0.0000
5619
112 -29.00454 -0.2532 -0.3045 -0.0000
5620
113 -29.00425 -0.2604 -0.3129 -0.0001
5621
114 -29.00423 0.2603 0.3129 0.0001
5622
115 -26.15001 -0.0686 -0.0868 0.0016
5623
116 -26.15001 0.0686 0.0868 -0.0016
5624
117 -26.13654 -0.0802 -0.0778 -0.0446
5625
118 -26.13654 0.0798 0.0773 0.0446
5626
119 -26.13444 0.0747 0.0791 0.0222
5627
120 -26.13444 -0.0743 -0.0786 -0.0222
5628
121 -26.10100 0.0071 0.0445 0.0376
5629
122 -26.10100 -0.0073 -0.0448 -0.0376
5630
123 -26.08895 0.0093 0.0244 0.0702
5631
124 -26.08895 -0.0090 -0.0240 -0.0702
5632
125 -26.08453 0.0121 0.0132 -0.1059
5633
126 -26.08453 -0.0116 -0.0126 0.1059
5634
127 -26.08420 -0.0248 -0.0247 0.2303
5635
128 -26.08420 0.0234 0.0231 -0.2303
5636
129 -26.08232 0.1157 -0.1679 -0.0670
5637
130 -26.08232 -0.1146 0.1691 0.0670
5638
131 -26.07528 -0.2686 -0.3329 -0.0025
5639
132 -26.07528 0.2688 0.3332 0.0025
5640
133 -26.07090 0.2541 0.3235 0.0041
5641
134 -26.07089 -0.2546 -0.3240 -0.0041
5642
135 -26.06390 -0.0900 -0.1081 0.0293
5643
136 -26.06388 0.0906 0.1083 -0.0290
5644
137 -26.06365 0.0795 0.0999 -0.0749
5645
138 -26.06363 -0.0787 -0.0983 0.0759
5646
139 -26.06319 0.0478 0.0491 -0.0139
5647
140 -26.06319 -0.0493 -0.0511 0.0126
5648
141 -26.04947 -0.3575 -0.4382 -0.0000
5649
142 -26.04947 0.3576 0.4382 0.0000
5650
143 -26.03387 -0.0132 -0.0109 0.1148
5651
144 -26.03387 0.0104 0.0077 -0.1148
5652
145 -26.03372 0.0117 0.0095 -0.1110
5653
146 -26.03372 -0.0087 -0.0061 0.1111
5654
147 -26.02149 0.3214 0.4006 -0.0006
5655
148 -26.02148 -0.3215 -0.4006 0.0006
5656
149 -26.02090 -0.3491 -0.4327 0.0005
5657
150 -26.02090 0.3491 0.4326 -0.0005
5658
151 -18.92799 0.6408 0.7673 -0.0244
5659
152 -18.92799 -0.6408 -0.7673 0.0244
5660
153 -18.85206 0.6427 0.7661 -0.0013
5661
154 -18.85206 -0.6427 -0.7661 0.0013
5662
155 -18.83205 -0.6428 -0.7660 0.0004
5663
156 -18.83205 0.6428 0.7660 -0.0004
5664
157 -18.27504 0.6426 0.7661 0.0001
5665
158 -18.27504 -0.6426 -0.7661 -0.0001
5666
159 -18.05890 0.6427 0.7660 0.0000
5667
160 -18.05890 -0.6427 -0.7660 -0.0000
5668
161 -17.86099 0.6428 0.7659 -0.0002
5669
162 -17.86099 -0.6428 -0.7659 0.0002
5670
163 -17.44162 0.6427 0.7659 -0.0000
5671
164 -17.44162 -0.6427 -0.7659 0.0000
5672
165 -17.19000 0.6427 0.7658 -0.0002
5673
166 -17.19000 -0.6427 -0.7658 0.0002
5674
167 -17.07076 0.6425 0.7660 -0.0002
5675
168 -17.07076 -0.6425 -0.7660 0.0002
5676
169 -14.82705 0.6423 0.7663 0.0002
5677
170 -14.82705 -0.6423 -0.7663 -0.0002
5678
171 -14.58359 -0.6422 -0.7664 -0.0002
5679
172 -14.58359 0.6422 0.7664 0.0002
5680
173 -14.39232 -0.6426 -0.7660 -0.0001
5681
174 -14.39232 0.6426 0.7660 0.0001
5682
175 -13.40698 0.6442 0.7648 0.0005
5683
176 -13.40698 -0.6442 -0.7648 -0.0005
5684
177 -13.20775 -0.6436 -0.7653 -0.0019
5685
178 -13.20775 0.6436 0.7653 0.0019
5686
179 -13.09397 -0.6427 -0.7661 -0.0005
5687
180 -13.09397 0.6427 0.7661 0.0005
5688
181 -7.66516 0.6350 0.6140 -0.0296
5689
182 -7.66516 -0.6350 -0.6140 0.0296
5690
183 -7.45082 0.5378 0.6204 0.0035
5691
184 -7.45082 -0.5378 -0.6204 -0.0035
5692
185 -7.25768 0.3946 0.4704 -0.0006
5693
186 -7.25767 -0.3946 -0.4704 0.0006
5694
187 -6.88535 0.3195 0.3979 -0.0011
5695
188 -6.88535 -0.3195 -0.3979 0.0011
5696
189 -6.84311 0.1190 0.1455 -0.0000
5697
190 -6.84311 -0.1190 -0.1455 0.0000
5698
191 -6.62528 -0.2697 -0.3221 0.0013
5699
192 -6.62525 0.2697 0.3221 -0.0013
5700
193 -6.59184 0.2165 0.2587 -0.0030
5701
194 -6.59181 -0.2165 -0.2587 0.0030
5702
195 -6.45858 -0.2304 -0.2021 0.0503
5703
196 -6.45857 0.2363 0.2572 -0.0722
5704
197 -6.45454 0.0294 0.0788 -0.1394
5705
198 -6.45453 -0.0312 -0.0809 0.1401
5706
199 -6.39881 -0.0039 -0.0026 0.0063
5707
200 -6.39880 0.0002 -0.0018 -0.0063
5708
201 -6.39543 0.0090 0.0266 0.0127
5709
202 -6.39543 -0.0094 -0.0271 -0.0128
5710
203 -6.27942 -0.2017 -0.2411 0.0063
5711
204 -6.27942 0.2056 0.2452 -0.0062
5712
205 -6.23465 0.1913 0.2301 0.0088
5713
206 -6.23465 -0.1866 -0.2248 -0.0088
5714
207 -6.06767 0.2220 0.2586 0.0029
5715
208 -6.06766 -0.2246 -0.2620 -0.0029
5716
209 -5.98900 -0.2056 -0.2404 0.0284
5717
210 -5.98900 0.2037 0.2381 -0.0284
5718
211 -5.95365 -0.0060 0.0208 -0.4785
5719
212 -5.95365 0.0050 -0.0221 0.4785
5720
213 -5.89538 -0.0011 0.0010 0.0390
5721
214 -5.89538 0.0015 -0.0005 -0.0390
5722
215 -5.78436 -0.1070 -0.1286 0.0035
5723
216 -5.78436 0.1070 0.1288 -0.0035
5724
217 -5.68804 0.0546 0.0642 -0.0013
5725
218 -5.68804 -0.0542 -0.0634 0.0013
5726
219 -5.42699 -0.5327 -0.6367 -0.0096
5727
220 -5.42694 0.5160 0.6168 0.0091
5728
221 -5.40426 0.0723 0.0875 0.0324
5729
222 -5.40423 -0.0583 -0.0705 -0.0319
5730
223 -5.36655 0.2795 0.3147 0.0541
5731
224 -5.36654 -0.2756 -0.3100 -0.0540
5732
225 -5.34623 0.0614 0.0638 -0.0941
5733
226 -5.34623 -0.0622 -0.0648 0.0940
5734
227 -5.28000 0.0013 0.0032 0.1740
5735
228 -5.28000 -0.0017 -0.0035 -0.1740
5736
229 -5.25000 -0.0007 -0.0014 -0.0813
5737
230 -5.25000 0.0009 0.0016 0.0813
5738
231 -5.01421 0.4382 0.4985 -0.0023
5739
232 -5.01420 -0.4387 -0.4990 0.0023
5740
233 -4.82866 0.3779 0.4526 0.0000
5741
234 -4.82865 -0.3656 -0.4379 -0.0000
5742
235 -4.77471 -0.3828 -0.4533 0.0000
5743
236 -4.77470 0.3693 0.4372 -0.0001
5744
237 -4.38161 -0.4392 -0.5222 -0.0003
5745
238 -4.38160 0.4373 0.5200 0.0003
5746
239 -4.24213 -0.2989 -0.3556 -0.0003
5747
240 -4.24213 0.2978 0.3539 0.0003
5748
241 -3.99106 0.1996 0.2383 -0.0003
5749
242 -3.99106 -0.2009 -0.2399 0.0002
5750
243 -3.84188 0.1835 0.2207 -0.0012
5751
244 -3.84188 -0.1851 -0.2229 0.0012
5752
245 -3.75712 -0.1805 -0.2154 0.0007
5753
246 -3.75712 0.1776 0.2116 -0.0007
5754
247 -2.98053 -0.3035 -0.3609 -0.0005
5755
248 -2.98053 0.3059 0.3639 0.0005
5756
249 -2.79739 -0.3007 -0.3631 0.0001
5757
250 -2.79739 0.3023 0.3652 -0.0001
5758
251 -2.59645 -0.3244 -0.3850 -0.0002
5759
252 -2.59644 0.3254 0.3865 0.0002
5760
253 -2.17608 -0.0011 -0.0023 -0.1303
5761
254 -2.17608 0.0001 0.0010 0.1303
5762
255 -2.03659 -0.0004 0.0005 0.0940
5763
256 -2.03659 -0.0010 -0.0021 -0.0940
5764
257 -1.92635 -0.0007 -0.0004 0.2952
5765
258 -1.92635 -0.0007 -0.0013 -0.2952
5766
259 -1.32853 -0.3909 -0.4374 -0.0100
5767
260 -1.32853 0.3928 0.4397 0.0100
5768
261 -1.16533 0.3715 0.4359 0.0085
5769
262 -1.16533 -0.3702 -0.4343 -0.0085
5770
263 -1.07996 -0.0072 -0.0083 -0.5821
5771
264 -1.07996 0.0075 0.0086 0.5821
5772
265 -1.00856 0.3790 0.4393 0.0121
5773
266 -1.00856 -0.3778 -0.4377 -0.0121
5774
267 -0.96021 0.0095 0.0183 0.2065
5775
268 -0.96021 -0.0090 -0.0177 -0.2065
5776
269 -0.89542 -0.0015 0.0043 -0.4429
5777
270 -0.89542 0.0014 -0.0045 0.4429
5778
271 5.79077 0.7055 0.8405 0.0002
5779
272 5.79077 -0.7060 -0.8411 -0.0002
5780
273 6.10218 0.6812 0.8123 0.0002
5781
274 6.10218 -0.6818 -0.8130 -0.0002
5782
275 6.29161 0.7404 0.8848 -0.0028
5783
276 6.29161 -0.7411 -0.8856 0.0028
5784
277 6.93488 0.9384 1.1180 0.0057
5785
278 6.93488 -0.9370 -1.1164 -0.0057
5786
279 7.01688 0.9881 1.1747 0.0040
5787
280 7.01688 -0.9867 -1.1730 -0.0040
5788
281 7.22958 0.8229 0.9816 -0.0006
5789
282 7.22958 -0.8229 -0.9815 0.0006
5790
283 7.49591 -0.8064 -0.9594 -0.0046
5791
284 7.49591 0.8051 0.9579 0.0046
5792
285 7.62586 -0.8523 -1.0170 -0.0054
5793
286 7.62586 0.8512 1.0156 0.0054
5794
287 8.17015 1.0794 1.2862 -0.0060
5795
288 8.17016 -1.0785 -1.2852 0.0060
5796
289 9.13982 0.8867 1.0582 0.0304
5797
290 9.13983 -0.8843 -1.0554 -0.0304
5798
291 9.39342 -0.0830 -0.0979 -0.0463
5799
292 9.39344 0.0823 0.0971 0.0461
5800
293 9.53547 -0.0316 -0.0043 1.0797
5801
294 9.53547 0.0316 0.0043 -1.0796
5802
295 9.68208 0.8835 1.0509 0.0927
5803
296 9.68208 -0.8806 -1.0474 -0.0927
5804
297 9.82357 -0.0112 -0.0131 0.0433
5805
298 9.82357 0.0100 0.0117 -0.0432
5806
299 10.01970 0.0061 -0.0090 -1.0531
5807
300 10.01970 -0.0062 0.0088 1.0530
5808
301 10.37764 -0.6348 -0.7558 -0.0043
5809
302 10.37766 0.6374 0.7589 0.0043
5810
303 10.51261 -0.4049 -0.4884 0.1419
5811
304 10.51263 0.4045 0.4880 -0.1415
5812
305 10.64114 0.7301 0.8694 -0.1212
5813
306 10.64116 -0.7292 -0.8685 0.1208
5814
307 11.53331 -0.7496 -0.8931 0.0246
5815
308 11.53333 0.7471 0.8903 -0.0246
5816
309 11.81247 -0.3820 -0.4551 0.0551
5817
310 11.81248 0.3828 0.4560 -0.0550
5818
311 12.14115 0.5434 0.6474 -0.0334
5819
312 12.14120 -0.5422 -0.6459 0.0332
5820
313 12.89874 -0.0334 -0.0421 0.0111
5821
314 12.89875 0.0273 0.0352 -0.0109
5822
315 13.11163 -0.0212 -0.0794 -0.5626
5823
316 13.11163 0.0235 0.0821 0.5625
5824
317 13.46324 -0.0131 -0.0157 0.0000
5825
318 13.46324 0.0125 0.0153 -0.0000
5826
319 14.20759 -0.0220 -0.0212 0.0080
5827
320 14.20759 0.0218 0.0210 -0.0080
5828
321 14.71849 0.0091 0.0128 0.0919
5829
322 14.71850 -0.0100 -0.0139 -0.0919
5830
323 14.81628 0.0745 0.0896 -0.0084
5831
324 14.81632 -0.0733 -0.0882 0.0083
5832
325 14.96788 -0.1211 -0.1471 -0.0363
5833
326 14.96793 0.1200 0.1457 0.0364
5834
327 15.05361 0.3737 0.4573 0.0379
5835
328 15.05363 -0.3766 -0.4607 -0.0379
5836
329 15.19595 0.2018 0.2777 -0.3080
5837
330 15.19600 -0.1937 -0.2686 0.3078
5838
331 15.19864 -0.0041 -0.0075 0.3125
5839
332 15.19868 -0.0050 -0.0027 -0.3124
5840
333 15.31947 -0.0156 -0.0185 -0.0360
5841
334 15.31947 0.0163 0.0193 0.0360
5842
335 15.82480 0.0014 -0.0033 -0.1871
5843
336 15.82480 -0.0015 0.0033 0.1871
5844
337 16.24874 -0.6328 -0.7571 0.0003
5845
338 16.24875 0.6356 0.7606 -0.0003
5846
339 16.62884 -0.4297 -0.5115 0.0043
5847
340 16.62884 0.4325 0.5152 -0.0043
5848
341 17.18374 0.2194 0.2599 -0.0052
5849
342 17.18375 -0.2204 -0.2613 0.0052
5850
343 17.55407 -0.0022 0.0100 0.2007
5851
344 17.55407 -0.0002 -0.0129 -0.2007
5852
345 17.75057 0.7814 0.8974 0.0163
5853
346 17.75057 -0.7784 -0.8937 -0.0163
5854
347 18.23479 0.1343 0.1608 -0.0422
5855
348 18.23479 -0.1342 -0.1609 0.0422
5856
349 18.53850 -0.0045 -0.0078 0.4029
5857
350 18.53850 0.0038 0.0069 -0.4028
5858
351 18.76554 0.0000 -0.0067 -0.7551
5859
352 18.76554 -0.0001 0.0066 0.7549
5860
353 19.21119 0.0108 0.0118 -0.4068
5861
354 19.21119 0.0109 0.0141 0.4068
5862
355 19.24866 0.0167 0.0222 0.0851
5863
356 19.24866 -0.0399 -0.0499 -0.0850
5864
357 19.44127 -0.0145 -0.0193 -0.0397
5865
358 19.44127 0.0146 0.0193 0.0398
5866
359 19.75416 -0.0027 -0.0045 1.1843
5867
360 19.75416 0.0031 0.0050 -1.1843
5868
361 20.20255 -0.0002 0.0004 -0.6083
5869
362 20.20255 0.0005 0.0000 0.6083
5870
363 20.51024 -0.0140 -0.0180 -0.0645
5871
364 20.51024 0.0143 0.0183 0.0645
5872
365 21.07648 -0.0110 0.0022 0.8432
5873
366 21.07648 0.0112 -0.0020 -0.8432
5874
367 21.26308 0.5041 0.5958 -0.0116
5875
368 21.26309 -0.5034 -0.5950 0.0116
5876
369 21.33945 -0.4777 -0.5687 0.0060
5877
370 21.33946 0.4768 0.5677 -0.0060
5878
371 21.78861 -0.5061 -0.6027 0.0001
5879
372 21.78861 0.5059 0.6025 -0.0001
5880
373 25.90995 0.7891 0.9400 0.0034
5881
374 25.90995 -0.7890 -0.9398 -0.0034
5882
375 27.95818 -0.7488 -0.8887 -0.0005
5883
376 27.95818 0.7485 0.8884 0.0005
5884
377 31.13796 0.7456 0.8890 -0.0006
5885
378 31.13796 -0.7459 -0.8894 0.0006
5886
379 39.40581 -0.4489 -0.5348 -0.0000
5887
380 39.40581 0.4486 0.5345 0.0000
5888
381 42.22538 0.5460 0.6482 0.0024
5889
382 42.22538 -0.5460 -0.6483 -0.0024
5890
383 46.54510 -0.5788 -0.6896 0.0006
5891
384 46.54510 0.5789 0.6897 -0.0006
5892
385 50.27645 0.5600 0.6673 -0.0036
5893
386 50.27645 -0.5600 -0.6673 0.0036
5894
387 52.16722 0.5237 0.6234 -0.0022
5895
388 52.16722 -0.5237 -0.6234 0.0022
5896
389 53.96639 0.5023 0.5986 -0.0134
5897
390 53.96639 -0.5023 -0.5987 0.0134
5898
5899
k-point 16 ( -0.004175 0.002411 0.000000 ) (Bohr^-1)
5900
ie e(eV) Sx Sy Sz
5901
1 -51.72596 0.2256 0.3907 -0.0000
5902
2 -51.72595 -0.2255 -0.3907 0.0000
5903
3 -51.67055 -0.2231 -0.3864 0.0000
5904
4 -51.67053 0.2235 0.3872 -0.0000
5905
5 -51.66991 0.2212 0.3832 0.0000
5906
6 -51.66986 -0.2215 -0.3836 -0.0000
5907
7 -51.66898 -0.2289 -0.3965 0.0000
5908
8 -51.66897 0.2297 0.3979 -0.0000
5909
9 -51.66711 -0.0012 -0.0020 -0.0000
5910
10 -51.66703 -0.0005 -0.0009 0.0000
5911
11 -51.66347 -0.1950 -0.3377 0.0000
5912
12 -51.66336 0.1948 0.3374 -0.0000
5913
13 -51.65083 -0.0188 -0.0325 0.0000
5914
14 -51.65081 0.0205 0.0355 -0.0000
5915
15 -51.62123 0.0049 0.0085 0.0000
5916
16 -51.62122 -0.0059 -0.0102 -0.0000
5917
17 -51.61745 -0.2686 -0.4652 0.0000
5918
18 -51.61732 0.2708 0.4691 -0.0000
5919
19 -51.61429 -0.0632 -0.1095 -0.0000
5920
20 -51.61414 0.0632 0.1095 0.0000
5921
21 -51.61141 0.2029 0.3514 0.0000
5922
22 -51.61138 -0.2010 -0.3481 -0.0000
5923
23 -51.60396 -0.0005 -0.0008 0.0000
5924
24 -51.60393 -0.0018 -0.0030 -0.0000
5925
25 -51.60082 0.0013 0.0022 0.0000
5926
26 -51.60079 -0.0039 -0.0068 -0.0000
5927
27 -51.58233 -0.0116 -0.0200 0.0000
5928
28 -51.58232 0.0123 0.0213 -0.0000
5929
29 -51.26109 -0.2744 -0.4754 0.0000
5930
30 -51.26107 0.2793 0.4839 -0.0000
5931
31 -51.25335 0.0394 0.0683 0.0000
5932
32 -51.25328 -0.0443 -0.0767 -0.0000
5933
33 -51.25217 0.2246 0.3890 0.0000
5934
34 -51.25210 -0.2264 -0.3921 -0.0000
5935
35 -51.22184 -0.0049 -0.0085 0.0000
5936
36 -51.22182 0.0066 0.0115 -0.0000
5937
37 -50.84149 -0.3283 -0.5687 0.0000
5938
38 -50.84149 0.3283 0.5687 -0.0000
5939
39 -50.80216 -0.0201 -0.0348 0.0000
5940
40 -50.80215 0.0195 0.0337 -0.0000
5941
41 -50.78403 0.3243 0.5617 0.0000
5942
42 -50.78391 -0.3221 -0.5579 -0.0000
5943
43 -50.78355 -0.3293 -0.5703 -0.0000
5944
44 -50.78344 0.3329 0.5767 0.0000
5945
45 -50.78294 0.1335 0.2313 0.0003
5946
46 -50.78293 -0.1381 -0.2392 -0.0002
5947
47 -50.77952 0.1729 0.2995 -0.0000
5948
48 -50.77947 -0.1770 -0.3065 0.0000
5949
49 -50.76951 -0.1620 -0.2806 -0.0000
5950
50 -50.76939 0.1741 0.3016 0.0000
5951
51 -50.76469 -0.0799 -0.1382 -0.0000
5952
52 -50.76467 0.0741 0.1283 0.0000
5953
53 -50.75068 0.1494 0.2589 0.0000
5954
54 -50.75057 -0.1443 -0.2500 -0.0000
5955
55 -50.74877 0.0147 0.0254 -0.0004
5956
56 -50.74877 -0.0147 -0.0253 0.0004
5957
57 -50.74856 -0.0129 -0.0224 0.0000
5958
58 -50.74850 0.0086 0.0148 -0.0000
5959
59 -50.74818 -0.0261 -0.0452 -0.0000
5960
60 -50.74813 0.0202 0.0350 0.0000
5961
61 -50.73809 0.0605 0.1048 0.0000
5962
62 -50.73807 -0.0594 -0.1029 -0.0000
5963
63 -50.73671 0.1563 0.2707 -0.0000
5964
64 -50.73668 -0.1564 -0.2709 0.0000
5965
65 -50.71702 0.0667 0.1155 -0.0001
5966
66 -50.71699 -0.0650 -0.1127 0.0001
5967
67 -50.71107 -0.2027 -0.3511 0.0000
5968
68 -50.71102 0.1999 0.3463 -0.0000
5969
69 -50.70752 -0.0447 -0.0774 -0.0000
5970
70 -50.70748 0.0461 0.0798 0.0000
5971
71 -50.69744 0.0558 0.0966 0.0000
5972
72 -50.69739 -0.0585 -0.1013 -0.0000
5973
73 -50.69360 -0.0582 -0.1009 0.0000
5974
74 -50.69352 0.0609 0.1055 -0.0000
5975
75 -50.69156 0.2974 0.5151 -0.0000
5976
76 -50.69154 -0.2960 -0.5127 0.0000
5977
77 -50.67065 0.0482 0.0835 -0.0000
5978
78 -50.67063 -0.0487 -0.0843 0.0000
5979
79 -50.37978 0.3249 0.5627 0.0000
5980
80 -50.37967 -0.3261 -0.5648 -0.0000
5981
81 -50.36794 -0.0693 -0.1200 -0.0000
5982
82 -50.36780 0.0661 0.1145 0.0000
5983
83 -50.36314 -0.3778 -0.6543 0.0000
5984
84 -50.36305 0.3792 0.6567 -0.0000
5985
85 -50.34545 0.0196 0.0339 0.0000
5986
86 -50.34532 -0.0158 -0.0273 -0.0000
5987
87 -50.34024 -0.1260 -0.2183 -0.0000
5988
88 -50.34013 0.1304 0.2259 0.0000
5989
89 -50.32249 0.1133 0.1963 0.0000
5990
90 -50.32237 -0.1185 -0.2052 -0.0000
5991
91 -29.08020 -0.0009 -0.0015 0.0114
5992
92 -29.08020 0.0008 0.0014 -0.0114
5993
93 -29.07569 0.0013 0.0023 -0.0004
5994
94 -29.07569 -0.0004 -0.0007 0.0004
5995
95 -29.07495 -0.0013 -0.0022 -0.0009
5996
96 -29.07495 0.0004 0.0006 0.0009
5997
97 -29.06417 0.0003 0.0009 -0.1042
5998
98 -29.06417 -0.0002 -0.0008 0.1042
5999
99 -29.05159 0.2015 0.3503 0.0001
6000
100 -29.05159 -0.2015 -0.3504 -0.0001
6001
101 -29.04910 -0.2015 -0.3489 -0.0000
6002
102 -29.04909 0.2016 0.3490 0.0000
6003
103 -29.04705 -0.2017 -0.3475 0.0003
6004
104 -29.04705 0.2017 0.3476 -0.0003
6005
105 -29.03333 0.2002 0.3466 0.0001
6006
106 -29.03333 -0.2002 -0.3466 -0.0001
6007
107 -29.02457 -0.0034 -0.0058 -0.0001
6008
108 -29.02457 -0.0012 -0.0020 0.0001
6009
109 -29.02455 0.0031 0.0054 -0.0004
6010
110 -29.02455 0.0014 0.0024 0.0004
6011
111 -29.00455 0.1981 0.3431 0.0000
6012
112 -29.00454 -0.1981 -0.3431 -0.0000
6013
113 -29.00425 -0.2036 -0.3526 -0.0000
6014
114 -29.00423 0.2036 0.3526 0.0000
6015
115 -26.15001 -0.0554 -0.0956 -0.0027
6016
116 -26.15001 0.0554 0.0957 0.0027
6017
117 -26.13654 -0.0559 -0.0967 0.0005
6018
118 -26.13654 0.0556 0.0961 -0.0005
6019
119 -26.13444 0.0543 0.0942 -0.0002
6020
120 -26.13444 -0.0539 -0.0936 0.0002
6021
121 -26.10100 0.0238 0.0377 0.0650
6022
122 -26.10100 -0.0241 -0.0380 -0.0650
6023
123 -26.08895 0.0126 0.0230 -0.0107
6024
124 -26.08895 -0.0123 -0.0225 0.0107
6025
125 -26.08453 0.0086 0.0154 0.0015
6026
126 -26.08453 -0.0082 -0.0148 -0.0015
6027
127 -26.08420 -0.0185 -0.0318 0.0010
6028
128 -26.08420 0.0175 0.0299 -0.0010
6029
129 -26.08232 -0.2435 -0.4487 -0.0054
6030
130 -26.08232 0.2443 0.4500 0.0054
6031
131 -26.07528 -0.2142 -0.3715 -0.0000
6032
132 -26.07528 0.2144 0.3719 0.0000
6033
133 -26.07090 0.2060 0.3567 0.0002
6034
134 -26.07089 -0.2064 -0.3573 -0.0002
6035
135 -26.06390 -0.0701 -0.1213 -0.0000
6036
136 -26.06388 0.0703 0.1218 0.0000
6037
137 -26.06365 0.0640 0.1107 -0.0005
6038
138 -26.06363 -0.0631 -0.1091 0.0005
6039
139 -26.06319 0.0335 0.0584 0.0020
6040
140 -26.06319 -0.0347 -0.0606 -0.0020
6041
141 -26.04947 -0.2827 -0.4909 -0.0002
6042
142 -26.04947 0.2827 0.4909 0.0002
6043
143 -26.03387 -0.0083 -0.0144 0.0009
6044
144 -26.03387 0.0062 0.0107 -0.0009
6045
145 -26.03372 0.0073 0.0127 0.0008
6046
146 -26.03372 -0.0050 -0.0088 -0.0008
6047
147 -26.02149 0.2573 0.4456 0.0000
6048
148 -26.02148 -0.2573 -0.4457 0.0000
6049
149 -26.02090 -0.2784 -0.4822 0.0000
6050
150 -26.02090 0.2784 0.4822 -0.0000
6051
151 -18.92799 0.4995 0.8663 -0.0027
6052
152 -18.92799 -0.4995 -0.8663 0.0027
6053
153 -18.85206 0.5000 0.8660 0.0001
6054
154 -18.85206 -0.5000 -0.8660 -0.0001
6055
155 -18.83205 -0.5000 -0.8660 0.0001
6056
156 -18.83205 0.5000 0.8660 -0.0001
6057
157 -18.27504 0.5000 0.8660 -0.0000
6058
158 -18.27504 -0.5000 -0.8660 0.0000
6059
159 -18.05890 0.4999 0.8660 0.0000
6060
160 -18.05890 -0.4999 -0.8660 -0.0000
6061
161 -17.86099 0.5000 0.8659 0.0000
6062
162 -17.86099 -0.5000 -0.8659 -0.0000
6063
163 -17.44162 0.4999 0.8659 -0.0000
6064
164 -17.44162 -0.4999 -0.8659 0.0000
6065
165 -17.19000 0.4999 0.8658 -0.0000
6066
166 -17.19000 -0.4999 -0.8658 0.0000
6067
167 -17.07076 0.4999 0.8659 -0.0000
6068
168 -17.07076 -0.4999 -0.8659 0.0000
6069
169 -14.82705 0.4998 0.8660 0.0001
6070
170 -14.82705 -0.4998 -0.8660 -0.0001
6071
171 -14.58359 -0.5009 -0.8653 -0.0002
6072
172 -14.58359 0.5009 0.8653 0.0002
6073
173 -14.39232 -0.4999 -0.8658 0.0000
6074
174 -14.39232 0.4999 0.8658 -0.0000
6075
175 -13.40698 0.5003 0.8658 -0.0002
6076
176 -13.40698 -0.5003 -0.8658 0.0002
6077
177 -13.20775 -0.5000 -0.8660 -0.0010
6078
178 -13.20775 0.5000 0.8660 0.0010
6079
179 -13.09397 -0.5000 -0.8660 -0.0000
6080
180 -13.09397 0.5000 0.8660 0.0000
6081
181 -7.66516 0.4435 0.7647 -0.0001
6082
182 -7.66516 -0.4435 -0.7647 0.0001
6083
183 -7.45082 0.4106 0.7111 0.0004
6084
184 -7.45082 -0.4106 -0.7111 -0.0004
6085
185 -7.25768 0.3070 0.5318 -0.0000
6086
186 -7.25767 -0.3070 -0.5318 0.0000
6087
187 -6.88535 0.2550 0.4420 -0.0000
6088
188 -6.88535 -0.2550 -0.4420 0.0000
6089
189 -6.84311 0.0940 0.1629 0.0000
6090
190 -6.84311 -0.0940 -0.1629 -0.0000
6091
191 -6.62528 -0.2101 -0.3638 -0.0000
6092
192 -6.62525 0.2101 0.3638 0.0000
6093
193 -6.59184 0.1687 0.2922 0.0000
6094
194 -6.59181 -0.1687 -0.2922 -0.0000
6095
195 -6.45858 -0.1446 -0.2504 0.0000
6096
196 -6.45857 0.1784 0.3088 -0.0000
6097
197 -6.45453 0.0552 0.0957 -0.0001
6098
198 -6.45453 -0.0566 -0.0981 0.0000
6099
199 -6.39882 -0.0036 -0.0063 0.0003
6100
200 -6.39882 0.0008 0.0013 -0.0003
6101
201 -6.39542 0.0268 0.0463 -0.0001
6102
202 -6.39541 -0.0271 -0.0469 0.0001
6103
203 -6.27942 -0.1572 -0.2725 -0.0000
6104
204 -6.27942 0.1602 0.2771 0.0000
6105
205 -6.23465 0.1499 0.2595 -0.0001
6106
206 -6.23465 -0.1462 -0.2536 0.0001
6107
207 -6.06767 0.1705 0.2951 0.0000
6108
208 -6.06766 -0.1726 -0.2989 -0.0000
6109
209 -5.98900 -0.1596 -0.2762 -0.0002
6110
210 -5.98900 0.1582 0.2737 0.0002
6111
211 -5.95365 0.0171 0.0292 0.0059
6112
212 -5.95365 -0.0179 -0.0307 -0.0059
6113
213 -5.89538 0.0003 0.0006 0.0058
6114
214 -5.89538 0.0001 -0.0000 -0.0058
6115
215 -5.78436 -0.0837 -0.1449 -0.0002
6116
216 -5.78436 0.0837 0.1450 0.0002
6117
217 -5.68804 0.0421 0.0731 -0.0001
6118
218 -5.68804 -0.0418 -0.0723 0.0001
6119
219 -5.42699 -0.4150 -0.7189 -0.0000
6120
220 -5.42695 0.4021 0.6965 -0.0000
6121
221 -5.40426 0.0568 0.0985 0.0000
6122
222 -5.40423 -0.0459 -0.0793 -0.0000
6123
223 -5.36655 0.2107 0.3650 -0.0001
6124
224 -5.36654 -0.2077 -0.3598 0.0001
6125
225 -5.34623 0.0441 0.0764 -0.0001
6126
226 -5.34623 -0.0448 -0.0776 0.0001
6127
227 -5.28000 0.0017 0.0031 0.0002
6128
228 -5.28000 -0.0020 -0.0035 -0.0002
6129
229 -5.25000 -0.0007 -0.0014 0.0141
6130
230 -5.25000 0.0009 0.0016 -0.0141
6131
231 -5.01421 0.3320 0.5747 0.0001
6132
232 -5.01420 -0.3324 -0.5753 -0.0001
6133
233 -4.82866 0.2948 0.5107 -0.0000
6134
234 -4.82865 -0.2852 -0.4941 0.0000
6135
235 -4.77471 -0.2967 -0.5138 -0.0000
6136
236 -4.77470 0.2862 0.4956 -0.0000
6137
237 -4.38161 -0.3412 -0.5910 -0.0000
6138
238 -4.38160 0.3397 0.5884 0.0000
6139
239 -4.24213 -0.2322 -0.4024 0.0000
6140
240 -4.24213 0.2313 0.4005 -0.0000
6141
241 -3.99106 0.1555 0.2692 -0.0000
6142
242 -3.99106 -0.1565 -0.2710 0.0000
6143
243 -3.84188 0.1437 0.2485 -0.0001
6144
244 -3.84188 -0.1449 -0.2510 0.0001
6145
245 -3.75712 -0.1404 -0.2435 -0.0001
6146
246 -3.75712 0.1382 0.2391 0.0001
6147
247 -2.98053 -0.2359 -0.4083 -0.0000
6148
248 -2.98053 0.2378 0.4117 0.0000
6149
249 -2.79739 -0.2358 -0.4083 -0.0000
6150
250 -2.79739 0.2370 0.4106 0.0000
6151
251 -2.59645 -0.2518 -0.4360 0.0000
6152
252 -2.59644 0.2525 0.4376 -0.0000
6153
253 -2.17608 -0.0013 -0.0023 0.0065
6154
254 -2.17608 0.0005 0.0008 -0.0065
6155
255 -2.03659 0.0001 0.0003 -0.0041
6156
256 -2.03659 -0.0012 -0.0021 0.0041
6157
257 -1.92635 -0.0001 -0.0005 0.0333
6158
258 -1.92635 -0.0010 -0.0014 -0.0333
6159
259 -1.32854 -0.2916 -0.5095 -0.0007
6160
260 -1.32853 0.2930 0.5120 0.0007
6161
261 -1.16533 0.2863 0.4961 0.0000
6162
262 -1.16533 -0.2853 -0.4943 -0.0000
6163
263 -1.07996 -0.0058 -0.0102 -0.0066
6164
264 -1.07996 0.0061 0.0106 0.0066
6165
265 -1.00856 0.2898 0.5027 0.0000
6166
266 -1.00856 -0.2889 -0.5009 -0.0000
6167
267 -0.96021 0.0104 0.0177 0.0033
6168
268 -0.96021 -0.0100 -0.0170 -0.0033
6169
269 -0.89542 0.0023 0.0040 -0.0578
6170
270 -0.89542 -0.0024 -0.0042 0.0578
6171
271 5.79077 0.5487 0.9503 -0.0001
6172
272 5.79077 -0.5491 -0.9510 0.0001
6173
273 6.10218 0.5301 0.9181 -0.0001
6174
274 6.10218 -0.5306 -0.9189 0.0001
6175
275 6.29161 0.5766 0.9992 0.0002
6176
276 6.29161 -0.5772 -1.0001 -0.0002
6177
277 6.93488 0.7298 1.2641 0.0000
6178
278 6.93488 -0.7288 -1.2622 -0.0000
6179
279 7.01688 0.7678 1.3292 0.0003
6180
280 7.01688 -0.7667 -1.3273 -0.0003
6181
281 7.22958 0.6404 1.1094 -0.0000
6182
282 7.22958 -0.6403 -1.1092 0.0000
6183
283 7.49591 -0.6267 -1.0854 0.0003
6184
284 7.49591 0.6257 1.0837 -0.0003
6185
285 7.62586 -0.6634 -1.1492 0.0000
6186
286 7.62586 0.6625 1.1477 -0.0000
6187
287 8.17015 0.8395 1.4541 0.0000
6188
288 8.17016 -0.8389 -1.4530 -0.0000
6189
289 9.13982 0.6904 1.1959 0.0004
6190
290 9.13983 -0.6886 -1.1927 -0.0004
6191
291 9.39342 -0.0639 -0.1107 -0.0001
6192
292 9.39344 0.0634 0.1099 0.0001
6193
293 9.53547 -0.0208 -0.0359 0.0032
6194
294 9.53547 0.0208 0.0359 -0.0032
6195
295 9.68208 0.6881 1.1916 -0.0011
6196
296 9.68208 -0.6858 -1.1877 0.0011
6197
297 9.82357 -0.0085 -0.0148 0.0024
6198
298 9.82357 0.0076 0.0132 -0.0024
6199
299 10.01970 -0.0145 -0.0252 0.0113
6200
300 10.01970 0.0144 0.0250 -0.0113
6201
301 10.37766 -0.4934 -0.8546 0.0011
6202
302 10.37769 0.4955 0.8581 -0.0011
6203
303 10.51257 -0.3203 -0.5546 -0.0029
6204
304 10.51259 0.3200 0.5541 0.0029
6205
305 10.64116 0.5709 0.9884 0.0014
6206
306 10.64118 -0.5703 -0.9873 -0.0014
6207
307 11.53331 -0.5831 -1.0099 -0.0000
6208
308 11.53333 0.5812 1.0067 0.0000
6209
309 11.81248 -0.2976 -0.5152 0.0021
6210
310 11.81249 0.2982 0.5162 -0.0020
6211
311 12.14114 0.4225 0.7322 -0.0009
6212
312 12.14119 -0.4215 -0.7305 0.0009
6213
313 12.89874 -0.0277 -0.0477 -0.0005
6214
314 12.89876 0.0230 0.0398 0.0005
6215
315 13.11163 -0.0467 -0.0852 0.0378
6216
316 13.11163 0.0485 0.0883 -0.0378
6217
317 13.46324 -0.0103 -0.0177 0.0014
6218
318 13.46324 0.0098 0.0172 -0.0014
6219
319 14.20759 -0.0154 -0.0264 -0.0162
6220
320 14.20759 0.0153 0.0262 0.0162
6221
321 14.71850 0.0079 0.0138 -0.0363
6222
322 14.71850 -0.0087 -0.0151 0.0363
6223
323 14.81628 0.0584 0.1010 0.0000
6224
324 14.81632 -0.0575 -0.0994 -0.0000
6225
325 14.96788 -0.0953 -0.1652 0.0001
6226
326 14.96793 0.0944 0.1636 -0.0000
6227
327 15.05361 0.2975 0.5139 0.0005
6228
328 15.05363 -0.2998 -0.5178 -0.0004
6229
329 15.19595 0.1729 0.2993 0.0000
6230
330 15.19599 -0.1669 -0.2888 -0.0000
6231
331 15.19864 -0.0052 -0.0091 -0.0004
6232
332 15.19868 -0.0015 -0.0027 0.0004
6233
333 15.31947 -0.0121 -0.0209 0.0023
6234
334 15.31947 0.0126 0.0219 -0.0023
6235
335 15.82480 -0.0022 -0.0031 -0.2060
6236
336 15.82480 0.0022 0.0031 0.2060
6237
337 16.24874 -0.4934 -0.8545 -0.0001
6238
338 16.24875 0.4956 0.8585 0.0001
6239
339 16.62884 -0.3340 -0.5786 -0.0004
6240
340 16.62884 0.3362 0.5827 0.0004
6241
341 17.18374 0.1704 0.2944 0.0009
6242
342 17.18375 -0.1711 -0.2960 -0.0009
6243
343 17.55407 0.0041 0.0090 -0.2155
6244
344 17.55407 -0.0060 -0.0122 0.2155
6245
345 17.75057 0.5981 1.0290 -0.0018
6246
346 17.75057 -0.5958 -1.0248 0.0018
6247
347 18.23479 0.1049 0.1819 0.0065
6248
348 18.23479 -0.1049 -0.1821 -0.0065
6249
349 18.53850 -0.0058 -0.0100 -0.0667
6250
350 18.53850 0.0053 0.0089 0.0667
6251
351 18.76554 -0.0052 -0.0086 0.2917
6252
352 18.76554 0.0052 0.0084 -0.2917
6253
353 19.21119 0.0075 0.0137 -0.1967
6254
354 19.21119 0.0094 0.0156 0.1967
6255
355 19.24866 0.0142 0.0238 0.0039
6256
356 19.24866 -0.0322 -0.0551 -0.0039
6257
357 19.44127 -0.0122 -0.0212 -0.0063
6258
358 19.44127 0.0123 0.0213 0.0063
6259
359 19.75416 -0.0062 -0.0072 0.8390
6260
360 19.75416 0.0065 0.0078 -0.8390
6261
361 20.20255 0.0011 0.0016 -0.3189
6262
362 20.20255 -0.0008 -0.0011 0.3189
6263
363 20.51024 -0.0114 -0.0199 -0.0097
6264
364 20.51024 0.0117 0.0202 0.0097
6265
365 21.07648 0.0008 0.0040 0.5025
6266
366 21.07648 -0.0006 -0.0038 -0.5025
6267
367 21.26308 0.3904 0.6758 0.0001
6268
368 21.26309 -0.3898 -0.6749 -0.0001
6269
369 21.33945 -0.3713 -0.6433 -0.0000
6270
370 21.33946 0.3706 0.6421 0.0000
6271
371 21.78861 -0.3935 -0.6816 0.0000
6272
372 21.78861 0.3934 0.6813 -0.0000
6273
373 25.90995 0.6137 1.0629 -0.0002
6274
374 25.90995 -0.6136 -1.0627 0.0002
6275
375 27.95818 -0.5811 -1.0064 -0.0002
6276
376 27.95818 0.5809 1.0060 0.0002
6277
377 31.13796 0.5801 1.0049 0.0001
6278
378 31.13796 -0.5803 -1.0053 -0.0001
6279
379 39.40581 -0.3491 -0.6046 0.0000
6280
380 39.40581 0.3490 0.6043 -0.0000
6281
381 42.22538 0.4238 0.7340 -0.0003
6282
382 42.22538 -0.4238 -0.7340 0.0003
6283
383 46.54510 -0.4502 -0.7797 -0.0000
6284
384 46.54510 0.4502 0.7798 0.0000
6285
385 50.27645 0.4356 0.7544 0.0001
6286
386 50.27645 -0.4356 -0.7545 -0.0001
6287
387 52.16722 0.4071 0.7050 0.0001
6288
388 52.16722 -0.4071 -0.7051 -0.0001
6289
389 53.96639 0.3908 0.6769 0.0002
6290
390 53.96639 -0.3908 -0.6769 -0.0002
6291
6292
k-point 17 ( -0.004530 0.001649 0.000000 ) (Bohr^-1)
6293
ie e(eV) Sx Sy Sz
6294
1 -51.72596 0.2161 0.3957 -0.0054
6295
2 -51.72595 -0.2161 -0.3956 0.0054
6296
3 -51.67055 -0.1425 -0.4186 0.0068
6297
4 -51.67053 0.1435 0.4191 -0.0069
6298
5 -51.66991 0.1523 0.4137 0.0024
6299
6 -51.66986 -0.1526 -0.4141 -0.0024
6300
7 -51.66899 -0.2776 -0.0172 0.0896
6301
8 -51.66896 0.2814 0.0169 -0.0939
6302
9 -51.66711 0.0100 -0.0084 0.0718
6303
10 -51.66703 -0.0149 0.0074 -0.0678
6304
11 -51.66347 -0.1471 -0.3594 0.0016
6305
12 -51.66336 0.1471 0.3590 -0.0013
6306
13 -51.65083 -0.0046 -0.0385 0.1447
6307
14 -51.65081 0.0057 0.0417 -0.1446
6308
15 -51.62123 -0.0053 0.0135 -0.1655
6309
16 -51.62122 0.0047 -0.0152 0.1654
6310
17 -51.61745 -0.2431 -0.4682 -0.0167
6311
18 -51.61732 0.2453 0.4721 0.0161
6312
19 -51.61429 0.0142 -0.1514 0.0204
6313
20 -51.61414 -0.0151 0.1519 -0.0196
6314
21 -51.61141 0.2382 0.3238 -0.0229
6315
22 -51.61138 -0.2373 -0.3200 0.0232
6316
23 -51.60396 -0.0046 0.0016 -0.0442
6317
24 -51.60393 0.0035 -0.0061 0.0438
6318
25 -51.60082 -0.0055 0.0060 -0.0898
6319
26 -51.60079 0.0039 -0.0111 0.0896
6320
27 -51.58233 -0.0004 -0.0259 0.0326
6321
28 -51.58232 0.0009 0.0273 -0.0326
6322
29 -51.26110 0.0059 -0.4031 -0.0298
6323
30 -51.26106 -0.0031 0.4127 0.0309
6324
31 -51.25335 0.0163 0.0785 -0.1179
6325
32 -51.25328 -0.0190 -0.0879 0.1168
6326
33 -51.25217 0.1407 0.4216 0.0069
6327
34 -51.25209 -0.1419 -0.4250 -0.0070
6328
35 -51.22184 0.0057 -0.0138 0.1505
6329
36 -51.22182 -0.0045 0.0171 -0.1505
6330
37 -50.84149 -0.2753 -0.5937 -0.0008
6331
38 -50.84149 0.2753 0.5937 0.0008
6332
39 -50.80217 0.0098 -0.0513 -0.0449
6333
40 -50.80215 -0.0102 0.0502 0.0450
6334
41 -50.78403 0.2894 0.5784 0.0065
6335
42 -50.78391 -0.2901 -0.5731 -0.0087
6336
43 -50.78355 -0.2921 -0.5875 -0.0058
6337
44 -50.78344 0.3011 0.5905 0.0113
6338
45 -50.78294 0.1005 0.1260 -0.2619
6339
46 -50.78293 -0.1079 -0.1320 0.2583
6340
47 -50.77952 0.1731 0.2739 0.0591
6341
48 -50.77947 -0.1780 -0.2802 -0.0589
6342
49 -50.76951 0.0500 -0.3839 -0.0318
6343
50 -50.76939 -0.0387 0.4049 0.0305
6344
51 -50.76470 -0.1736 -0.0064 0.1891
6345
52 -50.76466 0.1693 -0.0042 -0.1880
6346
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6426
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6427
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6428
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6429
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6430
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6526
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6527
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6532
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6536
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6538
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6539
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6542
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6543
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6546
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6548
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6549
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6550
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6551
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6552
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6553
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6554
261 -1.16533 0.1916 0.5397 -0.0085
6555
262 -1.16533 -0.1910 -0.5378 0.0085
6556
263 -1.07996 -0.0035 -0.0105 0.5733
6557
264 -1.07996 0.0036 0.0109 -0.5733
6558
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6559
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6560
267 -0.96021 0.0113 0.0172 -0.2002
6561
268 -0.96021 -0.0111 -0.0164 0.2002
6562
269 -0.89542 0.0046 0.0009 0.3542
6563
270 -0.89542 -0.0046 -0.0011 -0.3542
6564
271 5.79077 0.3752 1.0312 -0.0003
6565
272 5.79077 -0.3755 -1.0319 0.0003
6566
273 6.10218 0.3629 0.9961 -0.0004
6567
274 6.10218 -0.3633 -0.9970 0.0004
6568
275 6.29161 0.3957 1.0837 0.0031
6569
276 6.29161 -0.3961 -1.0847 -0.0031
6570
277 6.93488 0.4990 1.3717 -0.0057
6571
278 6.93488 -0.4983 -1.3697 0.0057
6572
279 7.01688 0.5239 1.4428 -0.0035
6573
280 7.01688 -0.5232 -1.4408 0.0035
6574
281 7.22958 0.4385 1.2036 0.0005
6575
282 7.22958 -0.4384 -1.2034 -0.0005
6576
283 7.49591 -0.4277 -1.1780 0.0052
6577
284 7.49591 0.4270 1.1762 -0.0052
6578
285 7.62586 -0.4544 -1.2467 0.0055
6579
286 7.62586 0.4537 1.2451 -0.0055
6580
287 8.17015 0.5742 1.5778 0.0060
6581
288 8.17016 -0.5737 -1.5766 -0.0060
6582
289 9.13982 0.4730 1.2970 -0.0297
6583
290 9.13983 -0.4717 -1.2935 0.0297
6584
291 9.39342 -0.0432 -0.1208 0.0461
6585
292 9.39344 0.0428 0.1199 -0.0460
6586
293 9.53547 0.0121 -0.0295 -1.0797
6587
294 9.53547 -0.0121 0.0295 1.0796
6588
295 9.68208 0.4684 1.2904 -0.0949
6589
296 9.68208 -0.4669 -1.2861 0.0949
6590
297 9.82357 -0.0058 -0.0162 -0.0386
6591
298 9.82357 0.0051 0.0145 0.0385
6592
299 10.01970 -0.0108 0.0007 1.0534
6593
300 10.01970 0.0107 -0.0009 -1.0533
6594
301 10.37764 -0.3372 -0.9277 0.0064
6595
302 10.37766 0.3386 0.9315 -0.0064
6596
303 10.51261 -0.2205 -0.5944 -0.1474
6597
304 10.51263 0.2203 0.5939 0.1471
6598
305 10.64114 0.3883 1.0666 0.1238
6599
306 10.64116 -0.3878 -1.0654 -0.1235
6600
307 11.53331 -0.3987 -1.0956 -0.0247
6601
308 11.53333 0.3974 1.0922 0.0247
6602
309 11.81247 -0.2034 -0.5583 -0.0510
6603
310 11.81248 0.2038 0.5594 0.0510
6604
311 12.14115 0.2886 0.7945 0.0316
6605
312 12.14120 -0.2880 -0.7927 -0.0315
6606
313 12.89874 -0.0201 -0.0499 -0.0122
6607
314 12.89875 0.0169 0.0413 0.0120
6608
315 13.11163 -0.0533 -0.0586 0.6122
6609
316 13.11163 0.0545 0.0620 -0.6120
6610
317 13.46324 -0.0071 -0.0192 0.0028
6611
318 13.46324 0.0068 0.0187 -0.0028
6612
319 14.20759 -0.0076 -0.0295 -0.0385
6613
320 14.20759 0.0075 0.0293 0.0385
6614
321 14.71849 0.0064 0.0142 -0.1642
6615
322 14.71850 -0.0069 -0.0156 0.1642
6616
323 14.81628 0.0405 0.1092 0.0084
6617
324 14.81632 -0.0399 -0.1075 -0.0084
6618
325 14.96788 -0.0668 -0.1784 0.0364
6619
326 14.96793 0.0662 0.1767 -0.0365
6620
327 15.05361 0.2104 0.5518 -0.0371
6621
328 15.05363 -0.2119 -0.5560 0.0370
6622
329 15.19595 0.1398 0.3137 0.3080
6623
330 15.19600 -0.1360 -0.3021 -0.3078
6624
331 15.19864 -0.0045 -0.0073 -0.3134
6625
332 15.19868 0.0002 -0.0056 0.3132
6626
333 15.31947 -0.0082 -0.0227 0.0404
6627
334 15.31947 0.0086 0.0238 -0.0404
6628
335 15.82480 -0.0039 0.0001 -0.1635
6629
336 15.82480 0.0039 -0.0001 0.1635
6630
337 16.24874 -0.3393 -0.9265 -0.0004
6631
338 16.24875 0.3408 0.9309 0.0004
6632
339 16.62884 -0.2281 -0.6279 -0.0051
6633
340 16.62884 0.2296 0.6323 0.0051
6634
341 17.18374 0.1159 0.3197 0.0070
6635
342 17.18375 -0.1164 -0.3214 -0.0070
6636
343 17.55407 0.0072 0.0034 -0.5316
6637
344 17.55407 -0.0085 -0.0069 0.5316
6638
345 17.75057 0.3927 1.1233 -0.0197
6639
346 17.75057 -0.3911 -1.1187 0.0198
6640
347 18.23479 0.0719 0.1963 0.0548
6641
348 18.23479 -0.0718 -0.1965 -0.0548
6642
349 18.53850 -0.0044 -0.0074 -0.4949
6643
350 18.53850 0.0040 0.0062 0.4948
6644
351 18.76554 -0.0045 -0.0023 0.8470
6645
352 18.76554 0.0044 0.0022 -0.8469
6646
353 19.21119 0.0041 0.0155 0.0901
6647
354 19.21119 0.0075 0.0163 -0.0900
6648
355 19.24866 0.0116 0.0253 -0.0778
6649
356 19.24866 -0.0239 -0.0593 0.0777
6650
357 19.44127 -0.0095 -0.0222 0.0274
6651
358 19.44127 0.0095 0.0223 -0.0275
6652
359 19.75416 -0.0097 -0.0071 -0.1978
6653
360 19.75416 0.0099 0.0077 0.1978
6654
361 20.20255 0.0005 -0.0000 0.6013
6655
362 20.20255 -0.0003 0.0005 -0.6013
6656
363 20.51024 -0.0085 -0.0212 0.0454
6657
364 20.51024 0.0087 0.0216 -0.0454
6658
365 21.07648 0.0077 -0.0086 -0.7467
6659
366 21.07648 -0.0076 0.0088 0.7467
6660
367 21.26308 0.2642 0.7343 0.0117
6661
368 21.26309 -0.2638 -0.7333 -0.0117
6662
369 21.33945 -0.2535 -0.6981 -0.0060
6663
370 21.33946 0.2530 0.6969 0.0060
6664
371 21.78861 -0.2690 -0.7396 -0.0001
6665
372 21.78861 0.2689 0.7393 0.0001
6666
373 25.90995 0.4196 1.1534 -0.0037
6667
374 25.90995 -0.4195 -1.1531 0.0037
6668
375 27.95818 -0.3954 -1.0928 0.0001
6669
376 27.95818 0.3952 1.0924 -0.0001
6670
377 31.13796 0.3970 1.0903 0.0008
6671
378 31.13796 -0.3971 -1.0907 -0.0008
6672
379 39.40581 -0.2388 -0.6561 0.0000
6673
380 39.40581 0.2387 0.6557 -0.0000
6674
381 42.22538 0.2884 0.7969 -0.0030
6675
382 42.22538 -0.2885 -0.7970 0.0030
6676
383 46.54510 -0.3078 -0.8461 -0.0007
6677
384 46.54510 0.3078 0.8462 0.0007
6678
385 50.27645 0.2979 0.8186 0.0037
6679
386 50.27645 -0.2979 -0.8187 -0.0037
6680
387 52.16722 0.2781 0.7652 0.0025
6681
388 52.16722 -0.2781 -0.7652 -0.0025
6682
389 53.96639 0.2673 0.7343 0.0137
6683
390 53.96639 -0.2673 -0.7344 -0.0137
6684
6685
k-point 18 ( -0.004748 0.000837 0.000000 ) (Bohr^-1)
6686
ie e(eV) Sx Sy Sz
6687
1 -51.72595 0.2056 0.4000 -0.0110
6688
2 -51.72595 -0.2056 -0.3999 0.0110
6689
3 -51.67055 -0.0583 -0.4276 0.0129
6690
4 -51.67053 0.0597 0.4277 -0.0133
6691
5 -51.66991 0.0788 0.4290 0.0046
6692
6 -51.66986 -0.0791 -0.4294 -0.0046
6693
7 -51.66901 -0.2475 0.0539 0.0916
6694
8 -51.66894 0.2541 -0.0559 -0.0999
6695
9 -51.66712 0.0196 -0.0138 0.1344
6696
10 -51.66703 -0.0277 0.0148 -0.1266
6697
11 -51.66347 -0.0949 -0.3716 0.0031
6698
12 -51.66336 0.0950 0.3712 -0.0025
6699
13 -51.65083 0.0086 -0.0405 0.2598
6700
14 -51.65081 -0.0081 0.0439 -0.2595
6701
15 -51.62123 -0.0133 0.0160 -0.2786
6702
16 -51.62122 0.0130 -0.0179 0.2785
6703
17 -51.61745 -0.2091 -0.4538 -0.0325
6704
18 -51.61732 0.2112 0.4576 0.0314
6705
19 -51.61429 0.0901 -0.1870 0.0397
6706
20 -51.61414 -0.0917 0.1880 -0.0382
6707
21 -51.61141 0.2661 0.2861 -0.0449
6708
22 -51.61138 -0.2662 -0.2819 0.0456
6709
23 -51.60396 -0.0087 0.0041 -0.0889
6710
24 -51.60393 0.0088 -0.0089 0.0883
6711
25 -51.60082 -0.0118 0.0093 -0.1699
6712
26 -51.60079 0.0113 -0.0147 0.1695
6713
27 -51.58233 0.0108 -0.0306 0.0622
6714
28 -51.58232 -0.0106 0.0321 -0.0622
6715
29 -51.26111 0.1143 -0.2967 -0.0355
6716
30 -51.26105 -0.1138 0.3070 0.0376
6717
31 -51.25335 -0.0064 0.0831 -0.2204
6718
32 -51.25328 0.0059 -0.0933 0.2182
6719
33 -51.25217 0.0537 0.4287 0.0130
6720
34 -51.25209 -0.0543 -0.4323 -0.0132
6721
35 -51.22184 0.0143 -0.0169 0.2621
6722
36 -51.22182 -0.0138 0.0204 -0.2620
6723
37 -50.84149 -0.2163 -0.6103 -0.0017
6724
38 -50.84149 0.2163 0.6103 0.0017
6725
39 -50.80217 0.0392 -0.0661 -0.0883
6726
40 -50.80215 -0.0395 0.0650 0.0884
6727
41 -50.78402 0.2503 0.5904 0.0133
6728
42 -50.78391 -0.2539 -0.5837 -0.0177
6729
43 -50.78355 -0.2500 -0.5986 -0.0119
6730
44 -50.78344 0.2641 0.5980 0.0229
6731
45 -50.78294 0.0688 0.0655 -0.3120
6732
46 -50.78293 -0.0787 -0.0691 0.3048
6733
47 -50.77953 0.1560 0.2254 0.1031
6734
48 -50.77946 -0.1617 -0.2308 -0.1026
6735
49 -50.76952 0.2329 -0.4428 -0.0573
6736
50 -50.76939 -0.2229 0.4632 0.0548
6737
51 -50.76471 -0.1726 0.0379 0.2182
6738
52 -50.76465 0.1699 -0.0487 -0.2159
6739
53 -50.75069 -0.1396 0.3625 0.0175
6740
54 -50.75056 0.1451 -0.3546 -0.0149
6741
55 -50.74878 0.0204 -0.0090 -0.4768
6742
56 -50.74876 -0.0128 0.0047 0.4815
6743
57 -50.74856 0.0429 -0.0526 0.0869
6744
58 -50.74850 -0.0606 0.0534 -0.0914
6745
59 -50.74818 0.0530 -0.0886 -0.0254
6746
60 -50.74813 -0.0511 0.0746 0.0231
6747
61 -50.73809 0.0549 0.1025 0.1390
6748
62 -50.73807 -0.0543 -0.1005 -0.1387
6749
63 -50.73671 0.0860 0.2612 0.0708
6750
64 -50.73668 -0.0866 -0.2611 -0.0718
6751
65 -50.71702 -0.1251 0.1663 -0.2745
6752
66 -50.71699 0.1273 -0.1640 0.2767
6753
67 -50.71107 0.0762 -0.4470 0.0859
6754
68 -50.71102 -0.0786 0.4423 -0.0873
6755
69 -50.70752 -0.0159 -0.0869 -0.1322
6756
70 -50.70748 0.0164 0.0896 0.1321
6757
71 -50.69744 0.0463 0.0980 0.2322
6758
72 -50.69739 -0.0477 -0.1030 -0.2332
6759
73 -50.69360 -0.0278 -0.1123 -0.0986
6760
74 -50.69353 0.0289 0.1174 0.0982
6761
75 -50.69156 0.0297 0.5587 -0.1264
6762
76 -50.69154 -0.0288 -0.5563 0.1273
6763
77 -50.67065 0.0283 0.0907 0.1453
6764
78 -50.67063 -0.0286 -0.0915 -0.1453
6765
79 -50.37978 0.1578 0.6063 0.0061
6766
80 -50.37967 -0.1587 -0.6085 -0.0061
6767
81 -50.36794 -0.0386 -0.1336 0.0171
6768
82 -50.36780 0.0382 0.1268 -0.0175
6769
83 -50.36314 -0.2066 -0.6689 -0.0250
6770
84 -50.36304 0.2078 0.6712 0.0254
6771
85 -50.34545 -0.1143 0.1079 -0.0184
6772
86 -50.34532 0.1154 -0.1003 0.0176
6773
87 -50.34024 -0.1044 -0.2147 0.0470
6774
88 -50.34013 0.1056 0.2235 -0.0467
6775
89 -50.32249 0.0314 0.2210 0.0607
6776
90 -50.32236 -0.0337 -0.2308 -0.0602
6777
91 -29.08020 -0.0002 -0.0016 -0.0615
6778
92 -29.08020 0.0002 0.0016 0.0615
6779
93 -29.07569 0.0003 0.0026 0.0418
6780
94 -29.07569 0.0000 -0.0008 -0.0418
6781
95 -29.07495 -0.0003 -0.0026 -0.0087
6782
96 -29.07495 -0.0000 0.0007 0.0087
6783
97 -29.06417 -0.0007 0.0008 -0.0641
6784
98 -29.06417 0.0008 -0.0006 0.0641
6785
99 -29.05159 0.0713 0.3975 0.0002
6786
100 -29.05159 -0.0713 -0.3976 -0.0002
6787
101 -29.04910 -0.0711 -0.3963 0.0000
6788
102 -29.04909 0.0711 0.3963 -0.0000
6789
103 -29.04705 -0.0762 -0.3942 0.0014
6790
104 -29.04705 0.0762 0.3942 -0.0014
6791
105 -29.03333 0.0722 0.3934 -0.0001
6792
106 -29.03333 -0.0722 -0.3934 0.0001
6793
107 -29.02457 -0.0011 -0.0067 -0.1047
6794
108 -29.02457 -0.0005 -0.0021 0.1047
6795
109 -29.02455 0.0010 0.0063 0.1042
6796
110 -29.02455 0.0005 0.0027 -0.1042
6797
111 -29.00455 0.0719 0.3891 -0.0001
6798
112 -29.00454 -0.0719 -0.3891 0.0001
6799
113 -29.00425 -0.0738 -0.4000 0.0001
6800
114 -29.00423 0.0738 0.4000 -0.0001
6801
115 -26.15001 -0.0256 -0.1077 -0.0105
6802
116 -26.15001 0.0256 0.1078 0.0105
6803
117 -26.13654 0.0005 -0.1120 0.0773
6804
118 -26.13654 -0.0006 0.1114 -0.0773
6805
119 -26.13444 0.0072 0.1090 -0.0391
6806
120 -26.13444 -0.0070 -0.1083 0.0391
6807
121 -26.10100 0.0441 0.0133 0.0862
6808
122 -26.10100 -0.0442 -0.0137 -0.0862
6809
123 -26.08895 0.0180 0.0183 -0.1683
6810
124 -26.08895 -0.0179 -0.0177 0.1683
6811
125 -26.08453 0.0011 0.0188 0.2128
6812
126 -26.08453 -0.0010 -0.0181 -0.2129
6813
127 -26.08420 -0.0007 -0.0312 -0.3882
6814
128 -26.08420 0.0004 0.0291 0.3883
6815
129 -26.08232 -0.1825 0.0561 0.0679
6816
130 -26.08232 0.1827 -0.0546 -0.0680
6817
131 -26.07528 -0.0882 -0.4151 0.0048
6818
132 -26.07528 0.0883 0.4155 -0.0048
6819
133 -26.07090 0.0960 0.3983 -0.0076
6820
134 -26.07089 -0.0961 -0.3990 0.0076
6821
135 -26.06390 -0.0259 -0.1396 -0.0577
6822
136 -26.06388 0.0255 0.1405 0.0572
6823
137 -26.06365 0.0286 0.1238 0.1383
6824
138 -26.06363 -0.0276 -0.1225 -0.1401
6825
139 -26.06319 0.0036 0.0715 0.0186
6826
140 -26.06319 -0.0042 -0.0738 -0.0163
6827
141 -26.04947 -0.1106 -0.5518 -0.0004
6828
142 -26.04947 0.1106 0.5519 0.0004
6829
143 -26.03387 0.0027 -0.0183 -0.2158
6830
144 -26.03387 -0.0032 0.0140 0.2158
6831
145 -26.03372 -0.0027 0.0160 0.2137
6832
146 -26.03372 0.0033 -0.0115 -0.2137
6833
147 -26.02148 0.1096 0.4988 0.0011
6834
148 -26.02148 -0.1096 -0.4989 -0.0011
6835
149 -26.02090 -0.1159 -0.5410 -0.0009
6836
150 -26.02090 0.1159 0.5410 0.0009
6837
151 -18.92799 0.1763 0.9835 0.0395
6838
152 -18.92799 -0.1763 -0.9835 -0.0395
6839
153 -18.85206 0.1737 0.9848 0.0028
6840
154 -18.85206 -0.1737 -0.9848 -0.0028
6841
155 -18.83205 -0.1736 -0.9848 -0.0004
6842
156 -18.83205 0.1736 0.9848 0.0004
6843
157 -18.27504 0.1739 0.9847 -0.0002
6844
158 -18.27504 -0.1739 -0.9847 0.0002
6845
159 -18.05890 0.1736 0.9847 0.0001
6846
160 -18.05890 -0.1736 -0.9847 -0.0001
6847
161 -17.86099 0.1735 0.9848 0.0004
6848
162 -17.86099 -0.1735 -0.9848 -0.0004
6849
163 -17.44162 0.1737 0.9846 0.0001
6850
164 -17.44162 -0.1737 -0.9846 -0.0001
6851
165 -17.19000 0.1735 0.9846 0.0003
6852
166 -17.19000 -0.1735 -0.9846 -0.0003
6853
167 -17.07076 0.1739 0.9846 0.0003
6854
168 -17.07076 -0.1739 -0.9846 -0.0003
6855
169 -14.82705 0.1741 0.9846 -0.0001
6856
170 -14.82705 -0.1741 -0.9846 0.0001
6857
171 -14.58359 -0.1777 -0.9839 -0.0004
6858
172 -14.58359 0.1777 0.9839 0.0004
6859
173 -14.39232 -0.1739 -0.9846 0.0003
6860
174 -14.39232 0.1739 0.9846 -0.0003
6861
175 -13.40698 0.1711 0.9852 -0.0012
6862
176 -13.40698 -0.1711 -0.9852 0.0012
6863
177 -13.20775 -0.1715 -0.9852 0.0008
6864
178 -13.20775 0.1715 0.9852 -0.0008
6865
179 -13.09397 -0.1739 -0.9848 0.0009
6866
180 -13.09397 0.1739 0.9848 -0.0009
6867
181 -7.66516 -0.0052 0.8817 0.0547
6868
182 -7.66516 0.0052 -0.8817 -0.0547
6869
183 -7.45082 0.1184 0.8125 -0.0044
6870
184 -7.45082 -0.1184 -0.8125 0.0044
6871
185 -7.25768 0.1067 0.6047 0.0010
6872
186 -7.25767 -0.1067 -0.6047 -0.0010
6873
187 -6.88535 0.1085 0.4986 0.0020
6874
188 -6.88535 -0.1085 -0.4986 -0.0020
6875
189 -6.84311 0.0369 0.1842 0.0000
6876
190 -6.84311 -0.0369 -0.1842 -0.0000
6877
191 -6.62528 -0.0737 -0.4134 -0.0022
6878
192 -6.62524 0.0737 0.4134 0.0022
6879
193 -6.59185 0.0594 0.3319 0.0052
6880
194 -6.59182 -0.0594 -0.3319 -0.0052
6881
195 -6.45858 -0.0154 -0.3308 -0.0798
6882
196 -6.45857 0.0440 0.3346 0.1149
6883
197 -6.45454 0.0297 0.0334 0.1979
6884
198 -6.45453 -0.0301 -0.0363 -0.1991
6885
199 -6.39877 0.0007 -0.0023 -0.0054
6886
200 -6.39877 -0.0018 -0.0033 0.0053
6887
201 -6.39546 0.0083 0.0105 -0.0142
6888
202 -6.39546 -0.0083 -0.0112 0.0145
6889
203 -6.27942 -0.0556 -0.3091 -0.0112
6890
204 -6.27942 0.0566 0.3144 0.0111
6891
205 -6.23465 0.0543 0.2931 -0.0156
6892
206 -6.23465 -0.0531 -0.2863 0.0157
6893
207 -6.06767 0.0524 0.3365 -0.0048
6894
208 -6.06766 -0.0531 -0.3408 0.0049
6895
209 -5.98900 -0.0486 -0.3057 -0.0511
6896
210 -5.98900 0.0481 0.3029 0.0512
6897
211 -5.95365 0.0158 -0.0058 0.5414
6898
212 -5.95365 -0.0161 0.0042 -0.5415
6899
213 -5.89538 0.0016 -0.0013 0.0046
6900
214 -5.89538 -0.0015 0.0019 -0.0046
6901
215 -5.78436 -0.0305 -0.1644 -0.0070
6902
216 -5.78436 0.0305 0.1646 0.0070
6903
217 -5.68804 0.0134 0.0831 0.0020
6904
218 -5.68804 -0.0132 -0.0822 -0.0020
6905
219 -5.42698 -0.1465 -0.8170 0.0165
6906
220 -5.42694 0.1419 0.7916 -0.0158
6907
221 -5.40427 0.0211 0.1110 -0.0563
6908
222 -5.40424 -0.0172 -0.0894 0.0554
6909
223 -5.36655 0.0514 0.4164 -0.0925
6910
224 -5.36654 -0.0503 -0.4104 0.0925
6911
225 -5.34623 0.0066 0.0890 0.1529
6912
226 -5.34622 -0.0068 -0.0902 -0.1526
6913
227 -5.28000 0.0022 0.0023 -0.3233
6914
228 -5.28000 -0.0023 -0.0028 0.3233
6915
229 -5.25000 -0.0006 -0.0016 0.1946
6916
230 -5.25000 0.0006 0.0019 -0.1946
6917
231 -5.01421 0.0877 0.6580 0.0046
6918
232 -5.01420 -0.0878 -0.6586 -0.0046
6919
233 -4.82866 0.1049 0.5803 -0.0001
6920
234 -4.82865 -0.1015 -0.5614 0.0001
6921
235 -4.77471 -0.0997 -0.5848 -0.0001
6922
236 -4.77470 0.0960 0.5642 0.0001
6923
237 -4.38161 -0.1171 -0.6723 0.0004
6924
238 -4.38160 0.1166 0.6693 -0.0004
6925
239 -4.24213 -0.0797 -0.4577 0.0004
6926
240 -4.24213 0.0794 0.4556 -0.0004
6927
241 -3.99106 0.0547 0.3060 0.0004
6928
242 -3.99106 -0.0550 -0.3080 -0.0004
6929
243 -3.84188 0.0526 0.2821 0.0021
6930
244 -3.84188 -0.0530 -0.2849 -0.0021
6931
245 -3.75712 -0.0488 -0.2768 -0.0016
6932
246 -3.75712 0.0481 0.2719 0.0016
6933
247 -2.98053 -0.0812 -0.4645 0.0009
6934
248 -2.98053 0.0819 0.4684 -0.0009
6935
249 -2.79739 -0.0877 -0.4632 -0.0003
6936
250 -2.79739 0.0881 0.4659 0.0003
6937
251 -2.59645 -0.0857 -0.4961 0.0005
6938
252 -2.59644 0.0859 0.4979 -0.0005
6939
253 -2.17608 -0.0014 -0.0018 0.2658
6940
254 -2.17608 0.0011 0.0002 -0.2658
6941
255 -2.03659 0.0010 -0.0004 -0.1837
6942
256 -2.03659 -0.0014 -0.0017 0.1837
6943
257 -1.92635 0.0000 -0.0011 -0.2376
6944
258 -1.92635 -0.0004 -0.0010 0.2376
6945
259 -1.32853 -0.0630 -0.5826 0.0158
6946
260 -1.32853 0.0636 0.5855 -0.0158
6947
261 -1.16533 0.0911 0.5653 -0.0148
6948
262 -1.16533 -0.0908 -0.5633 0.0148
6949
263 -1.07996 -0.0015 -0.0098 0.8822
6950
264 -1.07996 0.0015 0.0103 -0.8822
6951
265 -1.00856 0.0853 0.5739 -0.0209
6952
266 -1.00856 -0.0849 -0.5718 0.0209
6953
267 -0.96021 0.0125 0.0165 -0.3732
6954
268 -0.96021 -0.0123 -0.0157 0.3732
6955
269 -0.89542 0.0042 -0.0015 0.5513
6956
270 -0.89542 -0.0043 0.0012 -0.5513
6957
271 5.79077 0.1903 1.0807 -0.0005
6958
272 5.79077 -0.1905 -1.0815 0.0005
6959
273 6.10218 0.1847 1.0439 -0.0006
6960
274 6.10218 -0.1849 -1.0448 0.0006
6961
275 6.29161 0.2027 1.1357 0.0056
6962
276 6.29161 -0.2029 -1.1367 -0.0056
6963
277 6.93488 0.2531 1.4375 -0.0099
6964
278 6.93488 -0.2528 -1.4354 0.0099
6965
279 7.01688 0.2640 1.5121 -0.0063
6966
280 7.01688 -0.2636 -1.5100 0.0063
6967
281 7.22958 0.2232 1.2613 0.0009
6968
282 7.22958 -0.2232 -1.2612 -0.0009
6969
283 7.49591 -0.2157 -1.2346 0.0090
6970
284 7.49591 0.2153 1.2326 -0.0090
6971
285 7.62586 -0.2316 -1.3065 0.0093
6972
286 7.62586 0.2313 1.3048 -0.0093
6973
287 8.17015 0.2913 1.6535 0.0104
6974
288 8.17016 -0.2911 -1.6523 -0.0104
6975
289 9.13982 0.2412 1.3586 -0.0519
6976
290 9.13984 -0.2405 -1.3550 0.0518
6977
291 9.39341 -0.0221 -0.1273 0.0798
6978
292 9.39343 0.0219 0.1263 -0.0796
6979
293 9.53547 0.0076 -0.0303 -1.1074
6980
294 9.53547 -0.0076 0.0303 1.1072
6981
295 9.68208 0.2356 1.3459 -0.1634
6982
296 9.68209 -0.2349 -1.3414 0.1633
6983
297 9.82357 -0.0030 -0.0172 -0.0688
6984
298 9.82357 0.0027 0.0154 0.0688
6985
299 10.01970 -0.0054 0.0064 1.0883
6986
300 10.01971 0.0053 -0.0066 -1.0881
6987
301 10.37759 -0.1716 -0.9724 0.0102
6988
302 10.37762 0.1723 0.9764 -0.0102
6989
303 10.51269 -0.1107 -0.6117 -0.2498
6990
304 10.51271 0.1106 0.6112 0.2493
6991
305 10.64111 0.1962 1.1055 0.2112
6992
306 10.64113 -0.1960 -1.1043 -0.2107
6993
307 11.53331 -0.2023 -1.1477 -0.0427
6994
308 11.53333 0.2016 1.1441 0.0427
6995
309 11.81245 -0.1029 -0.5836 -0.0894
6996
310 11.81245 0.1031 0.5847 0.0893
6997
311 12.14118 0.1463 0.8324 0.0552
6998
312 12.14122 -0.1459 -0.8305 -0.0550
6999
313 12.89874 -0.0101 -0.0499 -0.0210
7000
314 12.89875 0.0085 0.0410 0.0207
7001
315 13.11163 -0.0403 -0.0308 0.9051
7002
316 13.11163 0.0410 0.0343 -0.9049
7003
317 13.46324 -0.0038 -0.0201 0.0050
7004
318 13.46324 0.0037 0.0196 -0.0050
7005
319 14.20759 -0.0015 -0.0304 -0.0624
7006
320 14.20759 0.0015 0.0302 0.0625
7007
321 14.71849 0.0038 0.0143 -0.2830
7008
322 14.71849 -0.0040 -0.0157 0.2829
7009
323 14.81628 0.0213 0.1142 0.0147
7010
324 14.81632 -0.0210 -0.1123 -0.0146
7011
325 14.96787 -0.0363 -0.1866 0.0632
7012
326 14.96792 0.0360 0.1849 -0.0633
7013
327 15.05360 0.1161 0.5722 -0.0644
7014
328 15.05363 -0.1169 -0.5767 0.0643
7015
329 15.19597 0.0954 0.3245 0.5471
7016
330 15.19601 -0.0938 -0.3122 -0.5467
7017
331 15.19863 -0.0036 -0.0038 -0.5618
7018
332 15.19867 0.0017 -0.0100 0.5616
7019
333 15.31947 -0.0041 -0.0239 0.0661
7020
334 15.31947 0.0043 0.0250 -0.0661
7021
335 15.82480 -0.0028 0.0027 -0.0983
7022
336 15.82480 0.0028 -0.0028 0.0983
7023
337 16.24874 -0.1750 -0.9711 -0.0009
7024
338 16.24875 0.1758 0.9756 0.0009
7025
339 16.62884 -0.1153 -0.6579 -0.0086
7026
340 16.62884 0.1160 0.6625 0.0086
7027
341 17.18374 0.0580 0.3348 0.0120
7028
342 17.18375 -0.0582 -0.3365 -0.0120
7029
343 17.55407 0.0059 -0.0013 -0.7154
7030
344 17.55407 -0.0066 -0.0025 0.7154
7031
345 17.75057 0.1747 1.1765 -0.0345
7032
346 17.75057 -0.1739 -1.1717 0.0346
7033
347 18.23479 0.0368 0.2038 0.0955
7034
348 18.23479 -0.0368 -0.2040 -0.0955
7035
349 18.53850 -0.0011 -0.0044 -0.6955
7036
350 18.53850 0.0009 0.0032 0.6954
7037
351 18.76554 -0.0032 0.0000 0.9190
7038
352 18.76555 0.0031 -0.0002 -0.9188
7039
353 19.21119 0.0007 0.0170 0.2184
7040
354 19.21119 0.0052 0.0163 -0.2183
7041
355 19.24866 0.0089 0.0266 -0.1468
7042
356 19.24866 -0.0152 -0.0623 0.1466
7043
357 19.44127 -0.0061 -0.0225 0.0535
7044
358 19.44127 0.0062 0.0226 -0.0535
7045
359 19.75416 -0.0032 -0.0015 -1.2231
7046
360 19.75416 0.0033 0.0021 1.2232
7047
361 20.20255 0.0001 -0.0002 0.6046
7048
362 20.20255 -0.0001 0.0007 -0.6046
7049
363 20.51024 -0.0054 -0.0219 0.1400
7050
364 20.51024 0.0055 0.0223 -0.1400
7051
365 21.07648 0.0033 -0.0101 -0.7854
7052
366 21.07648 -0.0033 0.0104 0.7854
7053
367 21.26308 0.1301 0.7694 0.0201
7054
368 21.26309 -0.1299 -0.7683 -0.0201
7055
369 21.33945 -0.1281 -0.7315 -0.0105
7056
370 21.33946 0.1279 0.7302 0.0105
7057
371 21.78861 -0.1362 -0.7751 -0.0001
7058
372 21.78861 0.1361 0.7748 0.0001
7059
373 25.90995 0.2127 1.2088 -0.0066
7060
374 25.90995 -0.2126 -1.2085 0.0066
7061
375 27.95818 -0.1976 -1.1452 0.0003
7062
376 27.95818 0.1975 1.1448 -0.0003
7063
377 31.13796 0.2018 1.1426 0.0013
7064
378 31.13796 -0.2019 -1.1430 -0.0013
7065
379 39.40581 -0.1212 -0.6876 0.0000
7066
380 39.40581 0.1211 0.6872 -0.0000
7067
381 42.22538 0.1443 0.8351 -0.0053
7068
382 42.22538 -0.1444 -0.8352 0.0053
7069
383 46.54510 -0.1561 -0.8867 -0.0011
7070
384 46.54510 0.1561 0.8868 0.0011
7071
385 50.27645 0.1512 0.8579 0.0063
7072
386 50.27645 -0.1512 -0.8580 -0.0063
7073
387 52.16722 0.1406 0.8019 0.0043
7074
388 52.16722 -0.1406 -0.8019 -0.0043
7075
389 53.96639 0.1356 0.7694 0.0235
7076
390 53.96639 -0.1356 -0.7694 -0.0235
7077
7078
k-point 19 ( -0.004821 -0.000000 0.000000 ) (Bohr^-1)
7079
ie e(eV) Sx Sy Sz
7080
1 -51.72595 0.1932 0.4037 -0.0174
7081
2 -51.72595 -0.1932 -0.4036 0.0174
7082
3 -51.67055 0.0217 -0.4169 0.0181
7083
4 -51.67053 -0.0200 0.4166 -0.0186
7084
5 -51.66991 0.0042 0.4292 0.0066
7085
6 -51.66986 -0.0045 -0.4296 -0.0066
7086
7 -51.66902 -0.2339 0.0793 0.0901
7087
8 -51.66893 0.2432 -0.0829 -0.1022
7088
9 -51.66712 0.0269 -0.0178 0.1833
7089
10 -51.66703 -0.0379 0.0207 -0.1719
7090
11 -51.66347 -0.0394 -0.3738 0.0044
7091
12 -51.66336 0.0396 0.3734 -0.0034
7092
13 -51.65083 0.0193 -0.0400 0.3371
7093
14 -51.65081 -0.0193 0.0434 -0.3367
7094
15 -51.62123 -0.0187 0.0170 -0.3396
7095
16 -51.62122 0.0187 -0.0189 0.3394
7096
17 -51.61745 -0.1686 -0.4239 -0.0467
7097
18 -51.61732 0.1705 0.4274 0.0451
7098
19 -51.61430 0.1607 -0.2151 0.0571
7099
20 -51.61414 -0.1631 0.2165 -0.0549
7100
21 -51.61141 0.2858 0.2398 -0.0652
7101
22 -51.61138 -0.2870 -0.2353 0.0662
7102
23 -51.60396 -0.0126 0.0064 -0.1346
7103
24 -51.60393 0.0138 -0.0116 0.1336
7104
25 -51.60082 -0.0171 0.0119 -0.2341
7105
26 -51.60079 0.0177 -0.0175 0.2335
7106
27 -51.58233 0.0213 -0.0340 0.0864
7107
28 -51.58232 -0.0214 0.0355 -0.0864
7108
29 -51.26112 0.1576 -0.2414 -0.0366
7109
30 -51.26103 -0.1593 0.2522 0.0397
7110
31 -51.25335 -0.0263 0.0830 -0.2997
7111
32 -51.25328 0.0280 -0.0937 0.2966
7112
33 -51.25217 -0.0273 0.4152 0.0180
7113
34 -51.25209 0.0275 -0.4189 -0.0182
7114
35 -51.22184 0.0203 -0.0184 0.3296
7115
36 -51.22182 -0.0205 0.0220 -0.3294
7116
37 -50.84149 -0.1497 -0.6173 -0.0029
7117
38 -50.84149 0.1497 0.6173 0.0029
7118
39 -50.80217 0.0673 -0.0788 -0.1289
7119
40 -50.80215 -0.0673 0.0777 0.1290
7120
41 -50.78402 0.2050 0.5966 0.0208
7121
42 -50.78392 -0.2116 -0.5889 -0.0273
7122
43 -50.78355 -0.2014 -0.6029 -0.0185
7123
44 -50.78344 0.2201 0.5986 0.0348
7124
45 -50.78294 0.0532 0.0394 -0.3300
7125
46 -50.78293 -0.0652 -0.0404 0.3194
7126
47 -50.77953 0.1333 0.1746 0.1306
7127
48 -50.77946 -0.1397 -0.1790 -0.1299
7128
49 -50.76953 0.3689 -0.4654 -0.0752
7129
50 -50.76938 -0.3603 0.4847 0.0714
7130
51 -50.76472 -0.1679 0.0552 0.2259
7131
52 -50.76464 0.1668 -0.0660 -0.2226
7132
53 -50.75069 -0.2381 0.3675 0.0230
7133
54 -50.75055 0.2435 -0.3604 -0.0192
7134
55 -50.74878 0.0222 -0.0107 -0.4767
7135
56 -50.74876 -0.0111 0.0044 0.4836
7136
57 -50.74856 0.0650 -0.0631 0.1244
7137
58 -50.74850 -0.0881 0.0678 -0.1310
7138
59 -50.74818 0.0916 -0.1079 -0.0365
7139
60 -50.74813 -0.0864 0.0930 0.0331
7140
61 -50.73809 0.0502 0.0981 0.2074
7141
62 -50.73807 -0.0497 -0.0961 -0.2070
7142
63 -50.73671 0.0486 0.2353 0.0956
7143
64 -50.73668 -0.0494 -0.2351 -0.0972
7144
65 -50.71703 -0.1585 0.1593 -0.3111
7145
66 -50.71698 0.1608 -0.1573 0.3143
7146
67 -50.71107 0.1891 -0.4505 0.1155
7147
68 -50.71102 -0.1911 0.4461 -0.1174
7148
69 -50.70752 -0.0007 -0.0870 -0.1965
7149
70 -50.70748 0.0008 0.0898 0.1963
7150
71 -50.69744 0.0398 0.0961 0.3542
7151
72 -50.69739 -0.0406 -0.1011 -0.3557
7152
73 -50.69360 -0.0107 -0.1140 -0.1498
7153
74 -50.69353 0.0111 0.1192 0.1493
7154
75 -50.69156 -0.0827 0.5261 -0.1661
7155
76 -50.69153 0.0834 -0.5238 0.1675
7156
77 -50.67065 0.0168 0.0915 0.2225
7157
78 -50.67063 -0.0169 -0.0924 -0.2224
7158
79 -50.37978 0.0668 0.5965 0.0089
7159
80 -50.37967 -0.0674 -0.5987 -0.0089
7160
81 -50.36794 -0.0209 -0.1380 0.0247
7161
82 -50.36781 0.0219 0.1310 -0.0252
7162
83 -50.36314 -0.1129 -0.6317 -0.0351
7163
84 -50.36304 0.1139 0.6339 0.0357
7164
85 -50.34545 -0.1737 0.1383 -0.0265
7165
86 -50.34532 0.1735 -0.1306 0.0253
7166
87 -50.34024 -0.0888 -0.2037 0.0692
7167
88 -50.34013 0.0884 0.2127 -0.0687
7168
89 -50.32249 -0.0098 0.2195 0.0877
7169
90 -50.32236 0.0090 -0.2293 -0.0871
7170
91 -29.08020 0.0001 -0.0016 -0.1180
7171
92 -29.08020 -0.0001 0.0015 0.1180
7172
93 -29.07569 -0.0002 0.0026 0.0606
7173
94 -29.07569 0.0002 -0.0008 -0.0606
7174
95 -29.07495 0.0002 -0.0026 -0.0124
7175
96 -29.07495 -0.0002 0.0007 0.0124
7176
97 -29.06417 -0.0012 0.0004 -0.0592
7177
98 -29.06417 0.0012 -0.0002 0.0592
7178
99 -29.05159 0.0020 0.4034 0.0002
7179
100 -29.05159 -0.0020 -0.4035 -0.0002
7180
101 -29.04910 -0.0016 -0.4022 0.0001
7181
102 -29.04909 0.0016 0.4022 -0.0001
7182
103 -29.04705 -0.0085 -0.4011 0.0015
7183
104 -29.04705 0.0085 0.4011 -0.0015
7184
105 -29.03333 0.0037 0.3996 -0.0001
7185
106 -29.03333 -0.0037 -0.3996 0.0001
7186
107 -29.02457 0.0001 -0.0069 -0.1399
7187
108 -29.02457 -0.0001 -0.0021 0.1399
7188
109 -29.02455 -0.0001 0.0065 0.1394
7189
110 -29.02455 0.0001 0.0026 -0.1394
7190
111 -29.00455 0.0044 0.3951 -0.0000
7191
112 -29.00454 -0.0044 -0.3951 0.0000
7192
113 -29.00425 -0.0043 -0.4062 0.0001
7193
114 -29.00423 0.0043 0.4062 -0.0001
7194
115 -26.15001 -0.0090 -0.1107 -0.0124
7195
116 -26.15001 0.0090 0.1107 0.0124
7196
117 -26.13654 0.0249 -0.1097 0.0902
7197
118 -26.13654 -0.0250 0.1091 -0.0902
7198
119 -26.13444 -0.0153 0.1088 -0.0468
7199
120 -26.13444 0.0153 -0.1081 0.0468
7200
121 -26.10100 0.0470 0.0031 0.0785
7201
122 -26.10100 -0.0470 -0.0035 -0.0785
7202
123 -26.08895 0.0201 0.0151 -0.2431
7203
124 -26.08895 -0.0201 -0.0146 0.2431
7204
125 -26.08453 -0.0027 0.0199 0.3118
7205
126 -26.08453 0.0027 -0.0191 -0.3119
7206
127 -26.08420 0.0057 -0.0271 -0.4751
7207
128 -26.08420 -0.0056 0.0249 0.4753
7208
129 -26.08232 -0.1736 0.0710 0.0683
7209
130 -26.08232 0.1735 -0.0694 -0.0685
7210
131 -26.07528 -0.0201 -0.4188 0.0070
7211
132 -26.07528 0.0201 0.4192 -0.0070
7212
133 -26.07090 0.0348 0.4054 -0.0115
7213
134 -26.07089 -0.0348 -0.4061 0.0115
7214
135 -26.06390 -0.0022 -0.1440 -0.0842
7215
136 -26.06388 0.0015 0.1451 0.0839
7216
137 -26.06365 0.0095 0.1258 0.1843
7217
138 -26.06363 -0.0086 -0.1247 -0.1867
7218
139 -26.06319 -0.0090 0.0740 -0.0052
7219
140 -26.06319 0.0088 -0.0763 0.0078
7220
141 -26.04947 -0.0180 -0.5583 -0.0005
7221
142 -26.04947 0.0180 0.5583 0.0005
7222
143 -26.03387 0.0079 -0.0186 -0.2969
7223
144 -26.03387 -0.0076 0.0142 0.2970
7224
145 -26.03372 -0.0075 0.0162 0.2949
7225
146 -26.03372 0.0072 -0.0116 -0.2949
7226
147 -26.02148 0.0289 0.5053 0.0016
7227
148 -26.02148 -0.0289 -0.5054 -0.0016
7228
149 -26.02091 -0.0275 -0.5484 -0.0013
7229
150 -26.02090 0.0274 0.5484 0.0013
7230
151 -18.92799 0.0042 0.9983 0.0573
7231
152 -18.92799 -0.0042 -0.9983 -0.0573
7232
153 -18.85206 0.0001 1.0000 0.0035
7233
154 -18.85206 -0.0001 -1.0000 -0.0035
7234
155 -18.83205 0.0001 -1.0000 -0.0003
7235
156 -18.83205 -0.0001 1.0000 0.0003
7236
157 -18.27504 0.0004 0.9999 -0.0002
7237
158 -18.27504 -0.0004 -0.9999 0.0002
7238
159 -18.05890 0.0000 0.9999 0.0001
7239
160 -18.05890 -0.0000 -0.9999 -0.0001
7240
161 -17.86099 -0.0002 0.9999 0.0007
7241
162 -17.86099 0.0002 -0.9999 -0.0007
7242
163 -17.44162 0.0001 0.9998 0.0001
7243
164 -17.44162 -0.0001 -0.9998 -0.0001
7244
165 -17.19000 -0.0002 0.9998 0.0005
7245
166 -17.19000 0.0002 -0.9998 -0.0005
7246
167 -17.07076 0.0004 0.9998 0.0004
7247
168 -17.07076 -0.0004 -0.9998 -0.0004
7248
169 -14.82705 0.0008 0.9999 -0.0003
7249
170 -14.82705 -0.0008 -0.9999 0.0003
7250
171 -14.58359 -0.0050 -0.9998 -0.0007
7251
172 -14.58359 0.0050 0.9998 0.0007
7252
173 -14.39232 -0.0003 -0.9998 0.0003
7253
174 -14.39232 0.0003 0.9998 -0.0003
7254
175 -13.40698 -0.0036 1.0000 -0.0011
7255
176 -13.40698 0.0036 -1.0000 0.0011
7256
177 -13.20775 0.0030 -1.0000 0.0013
7257
178 -13.20775 -0.0030 1.0000 -0.0013
7258
179 -13.09397 -0.0004 -1.0000 0.0012
7259
180 -13.09397 0.0004 1.0000 -0.0012
7260
181 -7.66516 -0.1966 0.8577 0.0738
7261
182 -7.66516 0.1966 -0.8577 -0.0738
7262
183 -7.45082 -0.0326 0.8204 -0.0039
7263
184 -7.45082 0.0326 -0.8204 0.0039
7264
185 -7.25768 0.0001 0.6140 0.0012
7265
186 -7.25767 -0.0001 -0.6140 -0.0012
7266
187 -6.88535 0.0278 0.5093 0.0023
7267
188 -6.88535 -0.0278 -0.5093 -0.0023
7268
189 -6.84311 0.0059 0.1876 -0.0003
7269
190 -6.84311 -0.0059 -0.1876 0.0003
7270
191 -6.62527 -0.0012 -0.4197 -0.0025
7271
192 -6.62524 0.0012 0.4197 0.0025
7272
193 -6.59185 0.0012 0.3369 0.0060
7273
194 -6.59182 -0.0012 -0.3369 -0.0060
7274
195 -6.45858 -0.0012 -0.3398 -0.0889
7275
196 -6.45857 -0.0010 0.3327 0.1277
7276
197 -6.45454 0.0012 0.0230 0.2132
7277
198 -6.45453 -0.0012 -0.0259 -0.2147
7278
199 -6.39876 0.0004 -0.0015 -0.0027
7279
200 -6.39875 -0.0004 -0.0042 0.0026
7280
201 -6.39548 -0.0012 0.0083 -0.0155
7281
202 -6.39547 0.0012 -0.0090 0.0157
7282
203 -6.27942 -0.0023 -0.3137 -0.0137
7283
204 -6.27942 0.0023 0.3191 0.0135
7284
205 -6.23465 0.0035 0.2973 -0.0190
7285
206 -6.23465 -0.0035 -0.2904 0.0191
7286
207 -6.06767 -0.0093 0.3402 -0.0053
7287
208 -6.06767 0.0093 -0.3446 0.0054
7288
209 -5.98900 0.0068 -0.3023 -0.0642
7289
210 -5.98900 -0.0068 0.2994 0.0642
7290
211 -5.95365 0.0112 -0.0111 0.5560
7291
212 -5.95365 -0.0112 0.0094 -0.5561
7292
213 -5.89538 0.0015 -0.0013 0.1468
7293
214 -5.89538 -0.0015 0.0020 -0.1468
7294
215 -5.78436 -0.0020 -0.1671 -0.0091
7295
216 -5.78436 0.0020 0.1673 0.0091
7296
217 -5.68804 -0.0017 0.0839 0.0024
7297
218 -5.68804 0.0017 -0.0830 -0.0024
7298
219 -5.42697 -0.0034 -0.8299 0.0191
7299
220 -5.42693 0.0033 0.8042 -0.0183
7300
221 -5.40429 0.0019 0.1126 -0.0653
7301
222 -5.40426 -0.0018 -0.0907 0.0643
7302
223 -5.36655 -0.0284 0.4174 -0.1047
7303
224 -5.36654 0.0284 -0.4113 0.1046
7304
225 -5.34622 -0.0089 0.0896 0.1668
7305
226 -5.34622 0.0089 -0.0909 -0.1665
7306
227 -5.28000 0.0023 0.0019 -0.4367
7307
228 -5.28000 -0.0023 -0.0023 0.4367
7308
229 -5.25000 -0.0004 -0.0026 0.2003
7309
230 -5.25000 0.0004 0.0029 -0.2003
7310
231 -5.01420 -0.0369 0.6628 0.0065
7311
232 -5.01420 0.0369 -0.6635 -0.0065
7312
233 -4.82866 0.0034 0.5897 -0.0002
7313
234 -4.82865 -0.0034 -0.5705 0.0002
7314
235 -4.77471 0.0045 -0.5933 -0.0003
7315
236 -4.77470 -0.0045 0.5723 0.0003
7316
237 -4.38161 0.0019 -0.6824 0.0003
7317
238 -4.38160 -0.0019 0.6794 -0.0003
7318
239 -4.24213 0.0013 -0.4646 0.0004
7319
240 -4.24213 -0.0013 0.4625 -0.0004
7320
241 -3.99106 0.0009 0.3108 0.0005
7321
242 -3.99106 -0.0009 -0.3129 -0.0005
7322
243 -3.84188 0.0037 0.2869 0.0031
7323
244 -3.84188 -0.0037 -0.2898 -0.0031
7324
245 -3.75712 -0.0001 -0.2811 -0.0022
7325
246 -3.75712 0.0001 0.2761 0.0022
7326
247 -2.98053 0.0010 -0.4715 0.0011
7327
248 -2.98053 -0.0010 0.4755 -0.0011
7328
249 -2.79739 -0.0080 -0.4713 -0.0006
7329
250 -2.79739 0.0080 0.4741 0.0006
7330
251 -2.59645 0.0024 -0.5034 0.0006
7331
252 -2.59644 -0.0024 0.5053 -0.0006
7332
253 -2.17608 -0.0012 -0.0016 0.3654
7333
254 -2.17608 0.0012 -0.0001 -0.3654
7334
255 -2.03659 0.0013 -0.0008 -0.2457
7335
256 -2.03659 -0.0013 -0.0014 0.2457
7336
257 -1.92635 0.0001 -0.0012 -0.2868
7337
258 -1.92635 -0.0001 -0.0010 0.2868
7338
259 -1.32853 0.0501 -0.5832 0.0195
7339
260 -1.32853 -0.0501 0.5862 -0.0195
7340
261 -1.16533 -0.0113 0.5724 -0.0173
7341
262 -1.16533 0.0113 -0.5703 0.0173
7342
263 -1.07996 -0.0001 -0.0094 0.9710
7343
264 -1.07996 0.0001 0.0098 -0.9710
7344
265 -1.00856 -0.0207 0.5796 -0.0243
7345
266 -1.00856 0.0207 -0.5775 0.0243
7346
267 -0.96021 0.0139 0.0154 -0.4928
7347
268 -0.96021 -0.0139 -0.0146 0.4928
7348
269 -0.89542 0.0033 -0.0025 0.6702
7349
270 -0.89542 -0.0033 0.0022 -0.6703
7350
271 5.79077 -0.0003 1.0973 -0.0006
7351
272 5.79077 0.0003 -1.0981 0.0006
7352
273 6.10218 0.0009 1.0602 -0.0007
7353
274 6.10218 -0.0009 -1.0611 0.0007
7354
275 6.29161 0.0033 1.1536 0.0075
7355
276 6.29161 -0.0033 -1.1547 -0.0075
7356
277 6.93488 -0.0003 1.4596 -0.0115
7357
278 6.93488 0.0003 -1.4574 0.0115
7358
279 7.01688 -0.0038 1.5350 -0.0076
7359
280 7.01688 0.0038 -1.5328 0.0076
7360
281 7.22958 0.0011 1.2809 0.0011
7361
282 7.22958 -0.0011 -1.2808 -0.0011
7362
283 7.49591 0.0027 -1.2532 0.0108
7363
284 7.49591 -0.0027 1.2513 -0.0108
7364
285 7.62586 -0.0017 -1.3269 0.0102
7365
286 7.62586 0.0017 1.3251 -0.0102
7366
287 8.17015 -0.0004 1.6790 0.0121
7367
288 8.17016 0.0004 -1.6777 -0.0121
7368
289 9.13982 0.0020 1.3795 -0.0603
7369
290 9.13984 -0.0020 -1.3758 0.0603
7370
291 9.39340 -0.0010 -0.1294 0.0921
7371
292 9.39343 0.0010 0.1284 -0.0919
7372
293 9.53547 0.0002 -0.0311 -1.1109
7373
294 9.53547 -0.0002 0.0311 1.1107
7374
295 9.68208 -0.0014 1.3631 -0.1897
7375
296 9.68209 0.0014 -1.3585 0.1896
7376
297 9.82357 -0.0005 -0.0174 -0.0807
7377
298 9.82357 0.0005 0.0156 0.0807
7378
299 10.01971 -0.0004 0.0079 1.0936
7379
300 10.01971 0.0004 -0.0081 -1.0935
7380
301 10.37758 -0.0015 -0.9876 0.0113
7381
302 10.37760 0.0015 0.9916 -0.0113
7382
303 10.51272 0.0030 -0.6156 -0.2863
7383
304 10.51273 -0.0030 0.6151 0.2857
7384
305 10.64110 0.0036 1.1168 0.2429
7385
306 10.64111 -0.0036 -1.1155 -0.2423
7386
307 11.53331 0.0000 -1.1651 -0.0492
7387
308 11.53333 -0.0000 1.1615 0.0492
7388
309 11.81244 0.0002 -0.5918 -0.1027
7389
310 11.81245 -0.0002 0.5929 0.1026
7390
311 12.14119 -0.0002 0.8451 0.0634
7391
312 12.14123 0.0002 -0.8432 -0.0632
7392
313 12.89873 0.0014 -0.0496 -0.0250
7393
314 12.89875 -0.0014 0.0405 0.0246
7394
315 13.11163 -0.0216 -0.0187 1.0185
7395
316 13.11163 0.0216 0.0223 -1.0182
7396
317 13.46324 -0.0004 -0.0204 0.0087
7397
318 13.46324 0.0004 0.0199 -0.0087
7398
319 14.20759 0.0029 -0.0303 -0.0946
7399
320 14.20759 -0.0029 0.0300 0.0947
7400
321 14.71849 0.0001 0.0141 -0.3636
7401
322 14.71849 -0.0001 -0.0155 0.3636
7402
323 14.81629 0.0015 0.1156 0.0171
7403
324 14.81633 -0.0015 -0.1137 -0.0171
7404
325 14.96787 -0.0045 -0.1895 0.0731
7405
326 14.96792 0.0045 0.1877 -0.0733
7406
327 15.05360 0.0180 0.5800 -0.0747
7407
328 15.05362 -0.0180 -0.5845 0.0746
7408
329 15.19598 0.0387 0.3323 0.6567
7409
330 15.19601 -0.0392 -0.3196 -0.6562
7410
331 15.19863 -0.0035 -0.0030 -0.6810
7411
332 15.19867 0.0040 -0.0111 0.6807
7412
333 15.31947 -0.0000 -0.0242 0.0707
7413
334 15.31948 0.0000 0.0254 -0.0707
7414
335 15.82480 -0.0008 0.0040 -0.0186
7415
336 15.82480 0.0008 -0.0040 0.0187
7416
337 16.24874 -0.0052 -0.9867 -0.0015
7417
338 16.24875 0.0052 0.9913 0.0015
7418
339 16.62884 0.0010 -0.6678 -0.0101
7419
340 16.62884 -0.0010 0.6726 0.0102
7420
341 17.18374 -0.0015 0.3393 0.0152
7421
342 17.18375 0.0015 -0.3411 -0.0152
7422
343 17.55407 0.0034 -0.0028 -0.8190
7423
344 17.55407 -0.0034 -0.0010 0.8190
7424
345 17.75057 -0.0451 1.1880 -0.0439
7425
346 17.75057 0.0451 -1.1832 0.0439
7426
347 18.23478 0.0014 0.2050 0.1240
7427
348 18.23479 -0.0014 -0.2052 -0.1240
7428
349 18.53850 0.0020 -0.0032 -0.7766
7429
350 18.53850 -0.0020 0.0020 0.7764
7430
351 18.76555 -0.0020 0.0009 0.9375
7431
352 18.76555 0.0020 -0.0010 -0.9372
7432
353 19.21119 -0.0025 0.0181 0.1610
7433
354 19.21119 0.0025 0.0157 -0.1609
7434
355 19.24866 0.0060 0.0276 -0.1922
7435
356 19.24866 -0.0060 -0.0638 0.1920
7436
357 19.44127 -0.0025 -0.0223 0.0661
7437
358 19.44127 0.0025 0.0224 -0.0662
7438
359 19.75416 0.0023 -0.0003 -1.2574
7439
360 19.75416 -0.0023 0.0009 1.2575
7440
361 20.20255 -0.0002 -0.0002 0.6041
7441
362 20.20255 0.0002 0.0007 -0.6041
7442
363 20.51024 -0.0021 -0.0217 0.3002
7443
364 20.51024 0.0021 0.0221 -0.3002
7444
365 21.07648 -0.0009 -0.0090 -0.8024
7445
366 21.07648 0.0009 0.0093 0.8024
7446
367 21.26308 -0.0073 0.7802 0.0232
7447
368 21.26309 0.0073 -0.7792 -0.0231
7448
369 21.33945 0.0010 -0.7426 -0.0124
7449
370 21.33946 -0.0010 0.7413 0.0124
7450
371 21.78861 0.0007 -0.7870 -0.0002
7451
372 21.78861 -0.0007 0.7867 0.0002
7452
373 25.90995 -0.0006 1.2273 -0.0083
7453
374 25.90995 0.0006 -1.2270 0.0083
7454
375 27.95818 0.0058 -1.1621 0.0000
7455
376 27.95818 -0.0058 1.1617 -0.0000
7456
377 31.13796 0.0005 1.1603 0.0016
7457
378 31.13796 -0.0005 -1.1607 -0.0016
7458
379 39.40581 0.0001 -0.6982 0.0001
7459
380 39.40581 -0.0001 0.6978 -0.0001
7460
381 42.22538 -0.0039 0.8475 -0.0069
7461
382 42.22538 0.0039 -0.8476 0.0069
7462
383 46.54510 0.0004 -0.9003 -0.0010
7463
384 46.54510 -0.0004 0.9005 0.0010
7464
385 50.27645 -0.0001 0.8711 0.0072
7465
386 50.27645 0.0001 -0.8712 -0.0072
7466
387 52.16722 -0.0010 0.8141 0.0051
7467
388 52.16722 0.0010 -0.8141 -0.0051
7468
389 53.96639 -0.0000 0.7811 0.0268
7469
390 53.96639 0.0000 -0.7811 -0.0268
7470
7471
k-point 20 ( -0.004748 -0.000837 0.000000 ) (Bohr^-1)
7472
ie e(eV) Sx Sy Sz
7473
1 -51.72595 0.1775 0.4066 -0.0250
7474
2 -51.72595 -0.1775 -0.4065 0.0250
7475
3 -51.67055 0.0931 -0.3919 0.0222
7476
4 -51.67053 -0.0910 0.3914 -0.0228
7477
5 -51.66991 -0.0684 0.4155 0.0083
7478
6 -51.66986 0.0681 -0.4158 -0.0083
7479
7 -51.66903 -0.2259 0.0926 0.0882
7480
8 -51.66891 0.2376 -0.0977 -0.1036
7481
9 -51.66712 0.0320 -0.0204 0.2187
7482
10 -51.66702 -0.0456 0.0252 -0.2042
7483
11 -51.66347 0.0184 -0.3655 0.0053
7484
12 -51.66336 -0.0181 0.3650 -0.0042
7485
13 -51.65083 0.0274 -0.0382 0.3839
7486
14 -51.65081 -0.0280 0.0415 -0.3834
7487
15 -51.62123 -0.0223 0.0173 -0.3681
7488
16 -51.62122 0.0226 -0.0192 0.3679
7489
17 -51.61745 -0.1240 -0.3811 -0.0588
7490
18 -51.61732 0.1256 0.3841 0.0568
7491
19 -51.61430 0.2235 -0.2351 0.0719
7492
20 -51.61414 -0.2266 0.2369 -0.0691
7493
21 -51.61141 0.2968 0.1863 -0.0833
7494
22 -51.61138 -0.2990 -0.1817 0.0846
7495
23 -51.60396 -0.0163 0.0087 -0.1808
7496
24 -51.60393 0.0186 -0.0140 0.1795
7497
25 -51.60082 -0.0213 0.0138 -0.2807
7498
26 -51.60079 0.0230 -0.0195 0.2800
7499
27 -51.58233 0.0306 -0.0359 0.1036
7500
28 -51.58232 -0.0310 0.0374 -0.1036
7501
29 -51.26113 0.1802 -0.2083 -0.0367
7502
30 -51.26102 -0.1842 0.2193 0.0408
7503
31 -51.25336 -0.0426 0.0799 -0.3563
7504
32 -51.25328 0.0465 -0.0907 0.3523
7505
33 -51.25218 -0.0980 0.3879 0.0218
7506
34 -51.25209 0.0988 -0.3916 -0.0221
7507
35 -51.22184 0.0244 -0.0190 0.3658
7508
36 -51.22182 -0.0252 0.0225 -0.3655
7509
37 -50.84149 -0.0738 -0.6123 -0.0042
7510
38 -50.84149 0.0738 0.6123 0.0042
7511
39 -50.80217 0.0930 -0.0890 -0.1653
7512
40 -50.80215 -0.0929 0.0879 0.1655
7513
41 -50.78402 0.1508 0.5952 0.0295
7514
42 -50.78392 -0.1602 -0.5865 -0.0380
7515
43 -50.78355 -0.1437 -0.5988 -0.0261
7516
44 -50.78345 0.1665 0.5910 0.0473
7517
45 -50.78294 0.0437 0.0251 -0.3418
7518
46 -50.78292 -0.0575 -0.0234 0.3280
7519
47 -50.77954 0.1114 0.1301 0.1469
7520
48 -50.77945 -0.1182 -0.1334 -0.1461
7521
49 -50.76954 0.4639 -0.4665 -0.0870
7522
50 -50.76937 -0.4571 0.4839 0.0821
7523
51 -50.76473 -0.1639 0.0646 0.2295
7524
52 -50.76463 0.1645 -0.0751 -0.2253
7525
53 -50.75070 -0.3067 0.3582 0.0268
7526
54 -50.75054 0.3119 -0.3522 -0.0219
7527
55 -50.74878 0.0241 -0.0121 -0.4762
7528
56 -50.74875 -0.0097 0.0040 0.4853
7529
57 -50.74856 0.0820 -0.0698 0.1565
7530
58 -50.74850 -0.1094 0.0780 -0.1650
7531
59 -50.74818 0.1292 -0.1252 -0.0460
7532
60 -50.74813 -0.1214 0.1101 0.0416
7533
61 -50.73809 0.0439 0.0912 0.2743
7534
62 -50.73807 -0.0437 -0.0893 -0.2737
7535
63 -50.73671 0.0152 0.2047 0.1134
7536
64 -50.73668 -0.0162 -0.2044 -0.1153
7537
65 -50.71703 -0.1762 0.1513 -0.3279
7538
66 -50.71698 0.1787 -0.1498 0.3319
7539
67 -50.71107 0.2770 -0.4365 0.1362
7540
68 -50.71102 -0.2787 0.4326 -0.1386
7541
69 -50.70752 0.0141 -0.0842 -0.2571
7542
70 -50.70748 -0.0144 0.0869 0.2569
7543
71 -50.69744 0.0318 0.0919 0.4806
7544
72 -50.69740 -0.0318 -0.0967 -0.4824
7545
73 -50.69359 0.0072 -0.1127 -0.2018
7546
74 -50.69353 -0.0077 0.1178 0.2011
7547
75 -50.69156 -0.1714 0.4805 -0.1921
7548
76 -50.69153 0.1718 -0.4783 0.1939
7549
77 -50.67065 0.0042 0.0900 0.3026
7550
78 -50.67063 -0.0041 -0.0909 -0.3024
7551
79 -50.37978 -0.0241 0.5677 0.0114
7552
80 -50.37966 0.0238 -0.5697 -0.0113
7553
81 -50.36793 -0.0009 -0.1405 0.0311
7554
82 -50.36781 0.0033 0.1334 -0.0318
7555
83 -50.36314 -0.0231 -0.5751 -0.0432
7556
84 -50.36304 0.0239 0.5771 0.0439
7557
85 -50.34545 -0.2251 0.1630 -0.0334
7558
86 -50.34532 0.2234 -0.1553 0.0319
7559
87 -50.34024 -0.0705 -0.1866 0.0897
7560
88 -50.34013 0.0684 0.1956 -0.0891
7561
89 -50.32249 -0.0481 0.2104 0.1115
7562
90 -50.32236 0.0488 -0.2199 -0.1107
7563
91 -29.08020 0.0005 -0.0014 -0.1930
7564
92 -29.08020 -0.0005 0.0013 0.1930
7565
93 -29.07569 -0.0008 0.0024 0.0766
7566
94 -29.07569 0.0004 -0.0007 -0.0767
7567
95 -29.07495 0.0008 -0.0024 -0.0159
7568
96 -29.07495 -0.0004 0.0006 0.0160
7569
97 -29.06417 -0.0015 -0.0001 -0.0686
7570
98 -29.06417 0.0014 0.0003 0.0686
7571
99 -29.05159 -0.0675 0.3973 0.0002
7572
100 -29.05159 0.0675 -0.3974 -0.0002
7573
101 -29.04910 0.0680 -0.3959 0.0002
7574
102 -29.04909 -0.0680 0.3960 -0.0002
7575
103 -29.04705 0.0604 -0.3962 0.0014
7576
104 -29.04705 -0.0604 0.3962 -0.0014
7577
105 -29.03333 -0.0652 0.3938 -0.0000
7578
106 -29.03333 0.0652 -0.3938 0.0000
7579
107 -29.02457 0.0013 -0.0069 -0.1607
7580
108 -29.02457 0.0003 -0.0020 0.1607
7581
109 -29.02455 -0.0012 0.0064 0.1602
7582
110 -29.02455 -0.0004 0.0025 -0.1602
7583
111 -29.00455 -0.0635 0.3893 0.0000
7584
112 -29.00454 0.0635 -0.3893 -0.0000
7585
113 -29.00425 0.0655 -0.4002 -0.0000
7586
114 -29.00423 -0.0655 0.4002 0.0000
7587
115 -26.15001 0.0090 -0.1111 -0.0126
7588
116 -26.15001 -0.0090 0.1112 0.0126
7589
117 -26.13654 0.0450 -0.1039 0.0863
7590
118 -26.13654 -0.0449 0.1033 -0.0863
7591
119 -26.13444 -0.0353 0.1048 -0.0454
7592
120 -26.13444 0.0352 -0.1041 0.0454
7593
121 -26.10100 0.0478 -0.0047 0.0651
7594
122 -26.10100 -0.0477 0.0043 -0.0651
7595
123 -26.08895 0.0217 0.0115 -0.3137
7596
124 -26.08895 -0.0218 -0.0109 0.3137
7597
125 -26.08453 -0.0065 0.0203 0.4007
7598
126 -26.08453 0.0064 -0.0196 -0.4007
7599
127 -26.08420 0.0100 -0.0230 -0.5166
7600
128 -26.08420 -0.0095 0.0208 0.5169
7601
129 -26.08232 -0.1683 0.0786 0.0687
7602
130 -26.08232 0.1679 -0.0770 -0.0689
7603
131 -26.07528 0.0489 -0.4100 0.0089
7604
132 -26.07528 -0.0490 0.4104 -0.0090
7605
133 -26.07090 -0.0298 0.4020 -0.0153
7606
134 -26.07089 0.0300 -0.4027 0.0153
7607
135 -26.06390 0.0223 -0.1447 -0.1082
7608
136 -26.06388 -0.0232 0.1459 0.1084
7609
137 -26.06365 -0.0098 0.1244 0.2081
7610
138 -26.06363 0.0105 -0.1236 -0.2106
7611
139 -26.06319 -0.0190 0.0734 -0.0545
7612
140 -26.06319 0.0193 -0.0756 0.0568
7613
141 -26.04947 0.0756 -0.5481 -0.0006
7614
142 -26.04947 -0.0756 0.5482 0.0006
7615
143 -26.03387 0.0123 -0.0182 -0.3522
7616
144 -26.03387 -0.0112 0.0138 0.3523
7617
145 -26.03372 -0.0115 0.0156 0.3512
7618
146 -26.03372 0.0104 -0.0110 -0.3513
7619
147 -26.02148 -0.0540 0.4974 0.0021
7620
148 -26.02147 0.0541 -0.4975 -0.0021
7621
149 -26.02091 0.0632 -0.5401 -0.0017
7622
150 -26.02090 -0.0633 0.5401 0.0017
7623
151 -18.92799 -0.1683 0.9831 0.0717
7624
152 -18.92799 0.1683 -0.9831 -0.0717
7625
153 -18.85206 -0.1735 0.9848 0.0037
7626
154 -18.85206 0.1735 -0.9848 -0.0037
7627
155 -18.83205 0.1738 -0.9848 0.0001
7628
156 -18.83205 -0.1738 0.9848 -0.0001
7629
157 -18.27504 -0.1732 0.9848 -0.0001
7630
158 -18.27504 0.1732 -0.9848 0.0001
7631
159 -18.05890 -0.1736 0.9847 0.0002
7632
160 -18.05890 0.1736 -0.9847 -0.0002
7633
161 -17.86099 -0.1739 0.9847 0.0012
7634
162 -17.86099 0.1739 -0.9847 -0.0012
7635
163 -17.44162 -0.1735 0.9846 0.0002
7636
164 -17.44162 0.1735 -0.9846 -0.0002
7637
165 -17.19000 -0.1738 0.9846 0.0007
7638
166 -17.19000 0.1738 -0.9846 -0.0007
7639
167 -17.07076 -0.1732 0.9847 0.0006
7640
168 -17.07076 0.1732 -0.9847 -0.0006
7641
169 -14.82705 -0.1727 0.9849 -0.0005
7642
170 -14.82705 0.1727 -0.9849 0.0005
7643
171 -14.58359 0.1684 -0.9856 -0.0011
7644
172 -14.58359 -0.1684 0.9856 0.0011
7645
173 -14.39232 0.1733 -0.9847 0.0003
7646
174 -14.39232 -0.1733 0.9847 -0.0003
7647
175 -13.40698 -0.1778 0.9840 -0.0004
7648
176 -13.40698 0.1778 -0.9840 0.0004
7649
177 -13.20775 0.1770 -0.9842 0.0013
7650
178 -13.20775 -0.1770 0.9842 -0.0013
7651
179 -13.09397 0.1732 -0.9849 0.0015
7652
180 -13.09397 -0.1732 0.9849 -0.0015
7653
181 -7.66516 -0.3505 0.8053 0.0873
7654
182 -7.66516 0.3505 -0.8053 -0.0873
7655
183 -7.45082 -0.1784 0.8014 -0.0011
7656
184 -7.45082 0.1784 -0.8014 0.0011
7657
185 -7.25768 -0.1065 0.6046 0.0011
7658
186 -7.25767 0.1065 -0.6046 -0.0011
7659
187 -6.88535 -0.0565 0.5068 0.0020
7660
188 -6.88535 0.0565 -0.5068 -0.0020
7661
189 -6.84311 -0.0258 0.1856 -0.0008
7662
190 -6.84311 0.0258 -0.1856 0.0008
7663
191 -6.62527 0.0714 -0.4132 -0.0022
7664
192 -6.62524 -0.0715 0.4132 0.0022
7665
193 -6.59185 -0.0571 0.3316 0.0052
7666
194 -6.59182 0.0571 -0.3317 -0.0052
7667
195 -6.45858 0.0128 -0.3289 -0.0810
7668
196 -6.45857 -0.0459 0.3338 0.1149
7669
197 -6.45454 -0.0275 0.0346 0.2024
7670
198 -6.45453 0.0278 -0.0374 -0.2037
7671
199 -6.39878 0.0001 -0.0024 0.0028
7672
200 -6.39877 0.0010 -0.0032 -0.0029
7673
201 -6.39546 -0.0108 0.0108 -0.0184
7674
202 -6.39545 0.0108 -0.0114 0.0186
7675
203 -6.27942 0.0510 -0.3093 -0.0134
7676
204 -6.27941 -0.0520 0.3146 0.0133
7677
205 -6.23465 -0.0477 0.2935 -0.0184
7678
206 -6.23465 0.0464 -0.2868 0.0185
7679
207 -6.06767 -0.0693 0.3328 -0.0041
7680
208 -6.06767 0.0700 -0.3372 0.0042
7681
209 -5.98900 0.0587 -0.2912 -0.0677
7682
210 -5.98900 -0.0582 0.2883 0.0678
7683
211 -5.95365 0.0064 -0.0141 0.5624
7684
212 -5.95365 -0.0061 0.0124 -0.5625
7685
213 -5.89538 0.0018 -0.0004 0.3582
7686
214 -5.89538 -0.0019 0.0011 -0.3582
7687
215 -5.78436 0.0268 -0.1648 -0.0099
7688
216 -5.78436 -0.0268 0.1650 0.0099
7689
217 -5.68804 -0.0164 0.0821 0.0022
7690
218 -5.68804 0.0163 -0.0812 -0.0023
7691
219 -5.42696 0.1401 -0.8179 0.0165
7692
220 -5.42691 -0.1357 0.7925 -0.0158
7693
221 -5.40432 -0.0175 0.1114 -0.0569
7694
222 -5.40428 0.0138 -0.0897 0.0561
7695
223 -5.36655 -0.1033 0.4050 -0.0888
7696
224 -5.36653 0.1023 -0.3990 0.0887
7697
225 -5.34622 -0.0236 0.0878 0.1394
7698
226 -5.34621 0.0238 -0.0891 -0.1392
7699
227 -5.28000 0.0023 0.0014 -0.5148
7700
228 -5.28000 -0.0023 -0.0018 0.5148
7701
229 -5.25001 -0.0007 -0.0040 -0.1218
7702
230 -5.25001 0.0007 0.0043 0.1218
7703
231 -5.01420 -0.1555 0.6454 0.0079
7704
232 -5.01420 0.1557 -0.6460 -0.0079
7705
233 -4.82866 -0.0985 0.5814 -0.0003
7706
234 -4.82865 0.0952 -0.5625 0.0003
7707
235 -4.77471 0.1081 -0.5834 -0.0005
7708
236 -4.77470 -0.1044 0.5627 0.0005
7709
237 -4.38161 0.1206 -0.6717 -0.0001
7710
238 -4.38160 -0.1201 0.6687 0.0001
7711
239 -4.24213 0.0821 -0.4573 0.0003
7712
240 -4.24213 -0.0818 0.4552 -0.0003
7713
241 -3.99106 -0.0530 0.3063 0.0007
7714
242 -3.99106 0.0533 -0.3083 -0.0006
7715
243 -3.84188 -0.0457 0.2833 0.0039
7716
244 -3.84188 0.0461 -0.2861 -0.0039
7717
245 -3.75712 0.0486 -0.2769 -0.0026
7718
246 -3.75712 -0.0479 0.2719 0.0026
7719
247 -2.98053 0.0830 -0.4641 0.0010
7720
248 -2.98053 -0.0837 0.4680 -0.0010
7721
249 -2.79739 0.0729 -0.4657 -0.0011
7722
250 -2.79739 -0.0733 0.4684 0.0011
7723
251 -2.59645 0.0901 -0.4952 0.0007
7724
252 -2.59644 -0.0904 0.4971 -0.0007
7725
253 -2.17608 -0.0010 -0.0013 0.4354
7726
254 -2.17608 0.0013 -0.0003 -0.4354
7727
255 -2.03659 0.0014 -0.0010 -0.2932
7728
256 -2.03659 -0.0011 -0.0010 0.2932
7729
257 -1.92635 0.0002 -0.0011 -0.3612
7730
258 -1.92635 0.0001 -0.0011 0.3613
7731
259 -1.32853 0.1547 -0.5643 0.0194
7732
260 -1.32853 -0.1552 0.5672 -0.0194
7733
261 -1.16533 -0.1119 0.5613 -0.0154
7734
262 -1.16533 0.1116 -0.5593 0.0154
7735
263 -1.07996 0.0008 -0.0093 0.9285
7736
264 -1.07996 -0.0009 0.0098 -0.9285
7737
265 -1.00856 -0.1232 0.5665 -0.0218
7738
266 -1.00856 0.1229 -0.5644 0.0218
7739
267 -0.96021 0.0156 0.0136 -0.5477
7740
268 -0.96021 -0.0157 -0.0128 0.5477
7741
269 -0.89542 0.0024 -0.0024 0.7615
7742
270 -0.89542 -0.0024 0.0021 -0.7615
7743
271 5.79077 -0.1909 1.0806 -0.0006
7744
272 5.79077 0.1911 -1.0814 0.0006
7745
273 6.10218 -0.1831 1.0442 -0.0007
7746
274 6.10218 0.1833 -1.0451 0.0007
7747
275 6.29161 -0.1965 1.1368 0.0086
7748
276 6.29161 0.1967 -1.1378 -0.0086
7749
277 6.93488 -0.2538 1.4374 -0.0101
7750
278 6.93488 0.2534 -1.4353 0.0101
7751
279 7.01688 -0.2710 1.5109 -0.0071
7752
280 7.01688 0.2706 -1.5087 0.0070
7753
281 7.22958 -0.2211 1.2617 0.0011
7754
282 7.22958 0.2211 -1.2615 -0.0011
7755
283 7.49591 0.2207 -1.2337 0.0103
7756
284 7.49591 -0.2204 1.2317 -0.0103
7757
285 7.62586 0.2284 -1.3071 0.0077
7758
286 7.62586 -0.2281 1.3054 -0.0077
7759
287 8.17015 -0.2920 1.6534 0.0106
7760
288 8.17016 0.2918 -1.6521 -0.0106
7761
289 9.13982 -0.2374 1.3592 -0.0529
7762
290 9.13984 0.2368 -1.3556 0.0529
7763
291 9.39341 0.0202 -0.1269 0.0800
7764
292 9.39343 -0.0199 0.1260 -0.0798
7765
293 9.53547 -0.0072 -0.0302 -1.1069
7766
294 9.53547 0.0072 0.0303 1.1067
7767
295 9.68208 -0.2382 1.3449 -0.1682
7768
296 9.68209 0.2374 -1.3404 0.1682
7769
297 9.82357 0.0021 -0.0169 -0.0716
7770
298 9.82357 -0.0018 0.0151 0.0716
7771
299 10.01971 0.0044 0.0066 1.0914
7772
300 10.01971 -0.0043 -0.0069 -1.0913
7773
301 10.37761 0.1688 -0.9728 0.0094
7774
302 10.37764 -0.1695 0.9767 -0.0094
7775
303 10.51265 0.1163 -0.6106 -0.2503
7776
304 10.51267 -0.1161 0.6100 0.2497
7777
305 10.64113 -0.1895 1.1065 0.2129
7778
306 10.64114 0.1893 -1.1052 -0.2124
7779
307 11.53331 0.2023 -1.1477 -0.0425
7780
308 11.53333 -0.2016 1.1441 0.0424
7781
309 11.81245 0.1033 -0.5835 -0.0872
7782
310 11.81246 -0.1036 0.5847 0.0871
7783
311 12.14117 -0.1465 0.8324 0.0539
7784
312 12.14121 0.1462 -0.8304 -0.0538
7785
313 12.89873 0.0126 -0.0495 -0.0236
7786
314 12.89875 -0.0109 0.0406 0.0233
7787
315 13.11164 -0.0046 -0.0240 1.0349
7788
316 13.11164 0.0040 0.0275 -1.0347
7789
317 13.46324 0.0031 -0.0201 0.0140
7790
318 13.46324 -0.0030 0.0196 -0.0140
7791
319 14.20760 0.0069 -0.0295 -0.1399
7792
320 14.20760 -0.0069 0.0293 0.1399
7793
321 14.71849 -0.0033 0.0137 -0.3816
7794
322 14.71849 0.0036 -0.0151 0.3816
7795
323 14.81630 -0.0183 0.1136 0.0153
7796
324 14.81634 0.0180 -0.1117 -0.0152
7797
325 14.96786 0.0278 -0.1868 0.0636
7798
326 14.96791 -0.0274 0.1850 -0.0638
7799
327 15.05359 -0.0825 0.5772 -0.0655
7800
328 15.05361 0.0833 -0.5816 0.0654
7801
329 15.19598 -0.0235 0.3355 0.5985
7802
330 15.19602 0.0208 -0.3229 -0.5980
7803
331 15.19863 -0.0027 -0.0077 -0.6245
7804
332 15.19867 0.0057 -0.0063 0.6243
7805
333 15.31947 0.0041 -0.0238 0.0518
7806
334 15.31948 -0.0043 0.0249 -0.0518
7807
335 15.82480 0.0012 0.0039 0.1208
7808
336 15.82480 -0.0012 -0.0039 -0.1208
7809
337 16.24874 0.1655 -0.9727 -0.0022
7810
338 16.24875 -0.1662 0.9773 0.0022
7811
339 16.62884 0.1171 -0.6575 -0.0094
7812
340 16.62884 -0.1178 0.6621 0.0094
7813
341 17.18374 -0.0605 0.3335 0.0164
7814
342 17.18375 0.0608 -0.3353 -0.0164
7815
343 17.55407 0.0020 -0.0019 -0.8699
7816
344 17.55407 -0.0013 -0.0019 0.8699
7817
345 17.75057 -0.2571 1.1606 -0.0471
7818
346 17.75057 0.2563 -1.1558 0.0471
7819
347 18.23478 -0.0334 0.2007 0.1390
7820
348 18.23479 0.0334 -0.2009 -0.1390
7821
349 18.53850 0.0042 -0.0036 -0.8106
7822
350 18.53850 -0.0040 0.0024 0.8104
7823
351 18.76555 -0.0011 0.0011 0.9443
7824
352 18.76555 0.0011 -0.0012 -0.9440
7825
353 19.21118 -0.0049 0.0187 -0.0605
7826
354 19.21119 -0.0010 0.0146 0.0606
7827
355 19.24866 0.0028 0.0279 -0.2084
7828
356 19.24866 0.0035 -0.0636 0.2082
7829
357 19.44127 0.0013 -0.0217 0.0633
7830
358 19.44127 -0.0013 0.0217 -0.0634
7831
359 19.75416 0.0040 -0.0019 -1.1494
7832
360 19.75416 -0.0041 0.0025 1.1494
7833
361 20.20255 -0.0005 -0.0000 0.6006
7834
362 20.20255 0.0004 0.0006 -0.6006
7835
363 20.51024 0.0012 -0.0203 0.5197
7836
364 20.51025 -0.0013 0.0206 -0.5197
7837
365 21.07648 -0.0035 -0.0056 -0.8037
7838
366 21.07648 0.0035 0.0059 0.8037
7839
367 21.26308 -0.1436 0.7670 0.0200
7840
368 21.26309 0.1434 -0.7659 -0.0199
7841
369 21.33945 0.1299 -0.7312 -0.0112
7842
370 21.33946 -0.1297 0.7299 0.0112
7843
371 21.78861 0.1375 -0.7749 -0.0002
7844
372 21.78861 -0.1374 0.7746 0.0002
7845
373 25.90995 -0.2138 1.2086 -0.0086
7846
374 25.90995 0.2137 -1.2083 0.0086
7847
375 27.95818 0.2083 -1.1433 -0.0006
7848
376 27.95818 -0.2082 1.1429 0.0006
7849
377 31.13796 -0.2009 1.1428 0.0015
7850
378 31.13796 0.2010 -1.1432 -0.0015
7851
379 39.40581 0.1214 -0.6875 0.0001
7852
380 39.40581 -0.1213 0.6872 -0.0001
7853
381 42.22538 -0.1515 0.8338 -0.0077
7854
382 42.22538 0.1515 -0.8339 0.0077
7855
383 46.54510 0.1568 -0.8866 -0.0005
7856
384 46.54510 -0.1568 0.8867 0.0005
7857
385 50.27645 -0.1514 0.8578 0.0061
7858
386 50.27645 0.1514 -0.8579 -0.0061
7859
387 52.16722 -0.1426 0.8015 0.0047
7860
388 52.16722 0.1426 -0.8016 -0.0047
7861
389 53.96639 -0.1357 0.7694 0.0225
7862
390 53.96639 0.1357 -0.7694 -0.0225
7863
7864
k-point 21 ( -0.004530 -0.001649 0.000000 ) (Bohr^-1)
7865
ie e(eV) Sx Sy Sz
7866
1 -51.72595 0.1560 0.4077 -0.0348
7867
2 -51.72595 -0.1560 -0.4076 0.0348
7868
3 -51.67056 0.1544 -0.3580 0.0253
7869
4 -51.67053 -0.1519 0.3571 -0.0261
7870
5 -51.66991 -0.1367 0.3895 0.0097
7871
6 -51.66985 0.1365 -0.3898 -0.0096
7872
7 -51.66904 -0.2205 0.1011 0.0863
7873
8 -51.66890 0.2342 -0.1076 -0.1046
7874
9 -51.66713 0.0353 -0.0220 0.2431
7875
10 -51.66702 -0.0511 0.0286 -0.2259
7876
11 -51.66347 0.0771 -0.3460 0.0060
7877
12 -51.66337 -0.0766 0.3454 -0.0046
7878
13 -51.65083 0.0335 -0.0359 0.4103
7879
14 -51.65081 -0.0347 0.0392 -0.4097
7880
15 -51.62123 -0.0248 0.0175 -0.3789
7881
16 -51.62122 0.0254 -0.0192 0.3787
7882
17 -51.61745 -0.0773 -0.3281 -0.0687
7883
18 -51.61731 0.0786 0.3308 0.0663
7884
19 -51.61430 0.2771 -0.2471 0.0839
7885
20 -51.61414 -0.2808 0.2493 -0.0806
7886
21 -51.61141 0.2989 0.1273 -0.0986
7887
22 -51.61138 -0.3020 -0.1227 0.1001
7888
23 -51.60396 -0.0196 0.0108 -0.2262
7889
24 -51.60393 0.0231 -0.0161 0.2247
7890
25 -51.60082 -0.0245 0.0152 -0.3117
7891
26 -51.60079 0.0272 -0.0207 0.3109
7892
27 -51.58233 0.0383 -0.0365 0.1139
7893
28 -51.58232 -0.0389 0.0379 -0.1139
7894
29 -51.26114 0.1945 -0.1857 -0.0367
7895
30 -51.26101 -0.2005 0.1965 0.0415
7896
31 -51.25336 -0.0557 0.0751 -0.3946
7897
32 -51.25327 0.0616 -0.0857 0.3898
7898
33 -51.25218 -0.1576 0.3527 0.0246
7899
34 -51.25208 0.1590 -0.3562 -0.0249
7900
35 -51.22184 0.0272 -0.0192 0.3833
7901
36 -51.22182 -0.0286 0.0226 -0.3830
7902
37 -50.84149 0.0128 -0.5911 -0.0058
7903
38 -50.84149 -0.0128 0.5911 0.0058
7904
39 -50.80217 0.1157 -0.0964 -0.1964
7905
40 -50.80215 -0.1155 0.0953 0.1967
7906
41 -50.78401 0.0838 0.5816 0.0395
7907
42 -50.78392 -0.0957 -0.5722 -0.0499
7908
43 -50.78355 -0.0737 -0.5825 -0.0349
7909
44 -50.78346 0.1000 0.5713 0.0605
7910
45 -50.78294 0.0369 0.0156 -0.3514
7911
46 -50.78292 -0.0521 -0.0114 0.3349
7912
47 -50.77954 0.0918 0.0927 0.1567
7913
48 -50.77945 -0.0989 -0.0947 -0.1556
7914
49 -50.76955 0.5298 -0.4565 -0.0946
7915
50 -50.76936 -0.5249 0.4716 0.0889
7916
51 -50.76474 -0.1606 0.0709 0.2317
7917
52 -50.76462 0.1629 -0.0807 -0.2267
7918
53 -50.75071 -0.3548 0.3425 0.0293
7919
54 -50.75053 0.3597 -0.3377 -0.0236
7920
55 -50.74879 0.0258 -0.0134 -0.4758
7921
56 -50.74875 -0.0086 0.0036 0.4868
7922
57 -50.74856 0.0943 -0.0732 0.1829
7923
58 -50.74850 -0.1247 0.0844 -0.1930
7924
59 -50.74818 0.1658 -0.1404 -0.0539
7925
60 -50.74813 -0.1559 0.1258 0.0486
7926
61 -50.73809 0.0359 0.0814 0.3385
7927
62 -50.73807 -0.0360 -0.0797 -0.3378
7928
63 -50.73672 -0.0135 0.1733 0.1256
7929
64 -50.73668 0.0123 -0.1729 -0.1279
7930
65 -50.71704 -0.1871 0.1441 -0.3365
7931
66 -50.71697 0.1895 -0.1430 0.3414
7932
67 -50.71107 0.3440 -0.4130 0.1500
7933
68 -50.71102 -0.3452 0.4096 -0.1530
7934
69 -50.70752 0.0279 -0.0788 -0.3113
7935
70 -50.70748 -0.0287 0.0813 0.3111
7936
71 -50.69744 0.0219 0.0847 0.6078
7937
72 -50.69740 -0.0212 -0.0891 -0.6100
7938
73 -50.69359 0.0258 -0.1079 -0.2525
7939
74 -50.69353 -0.0271 0.1127 0.2517
7940
75 -50.69156 -0.2405 0.4313 -0.2086
7941
76 -50.69153 0.2406 -0.4293 0.2107
7942
77 -50.67064 -0.0095 0.0857 0.3825
7943
78 -50.67063 0.0097 -0.0865 -0.3823
7944
79 -50.37978 -0.1116 0.5222 0.0135
7945
80 -50.37966 0.1115 -0.5240 -0.0134
7946
81 -50.36793 0.0219 -0.1400 0.0365
7947
82 -50.36782 -0.0181 0.1331 -0.0373
7948
83 -50.36314 0.0596 -0.5063 -0.0492
7949
84 -50.36304 -0.0590 0.5080 0.0501
7950
85 -50.34546 -0.2673 0.1815 -0.0391
7951
86 -50.34532 0.2644 -0.1742 0.0373
7952
87 -50.34024 -0.0497 -0.1637 0.1080
7953
88 -50.34013 0.0461 0.1724 -0.1073
7954
89 -50.32249 -0.0823 0.1955 0.1314
7955
90 -50.32236 0.0846 -0.2044 -0.1305
7956
91 -29.08020 0.0008 -0.0010 -0.2768
7957
92 -29.08020 -0.0008 0.0010 0.2768
7958
93 -29.07569 -0.0012 0.0022 0.0892
7959
94 -29.07569 0.0006 -0.0006 -0.0892
7960
95 -29.07495 0.0012 -0.0022 -0.0192
7961
96 -29.07495 -0.0006 0.0005 0.0192
7962
97 -29.06417 -0.0016 -0.0006 -0.0924
7963
98 -29.06417 0.0016 0.0008 0.0924
7964
99 -29.05159 -0.1350 0.3792 0.0002
7965
100 -29.05159 0.1351 -0.3793 -0.0002
7966
101 -29.04910 0.1355 -0.3776 0.0004
7967
102 -29.04909 -0.1356 0.3777 -0.0004
7968
103 -29.04705 0.1283 -0.3791 0.0009
7969
104 -29.04705 -0.1283 0.3792 -0.0009
7970
105 -29.03333 -0.1324 0.3761 0.0001
7971
106 -29.03333 0.1324 -0.3761 -0.0001
7972
107 -29.02457 0.0025 -0.0067 -0.1689
7973
108 -29.02457 0.0006 -0.0018 0.1689
7974
109 -29.02455 -0.0024 0.0062 0.1684
7975
110 -29.02455 -0.0008 0.0023 -0.1684
7976
111 -29.00455 -0.1299 0.3716 0.0001
7977
112 -29.00454 0.1299 -0.3716 -0.0001
7978
113 -29.00425 0.1338 -0.3821 -0.0001
7979
114 -29.00424 -0.1338 0.3821 0.0001
7980
115 -26.15001 0.0279 -0.1085 -0.0109
7981
116 -26.15001 -0.0280 0.1085 0.0109
7982
117 -26.13654 0.0611 -0.0963 0.0712
7983
118 -26.13654 -0.0609 0.0957 -0.0712
7984
119 -26.13444 -0.0525 0.0981 -0.0373
7985
120 -26.13444 0.0523 -0.0974 0.0373
7986
121 -26.10100 0.0475 -0.0107 0.0494
7987
122 -26.10100 -0.0474 0.0103 -0.0494
7988
123 -26.08895 0.0228 0.0074 -0.3782
7989
124 -26.08895 -0.0230 -0.0069 0.3782
7990
125 -26.08453 -0.0102 0.0199 0.4734
7991
126 -26.08453 0.0099 -0.0192 -0.4735
7992
127 -26.08420 0.0130 -0.0195 -0.5335
7993
128 -26.08420 -0.0121 0.0174 0.5337
7994
129 -26.08232 -0.1647 0.0830 0.0691
7995
130 -26.08232 0.1640 -0.0815 -0.0693
7996
131 -26.07528 0.1168 -0.3887 0.0106
7997
132 -26.07528 -0.1170 0.3892 -0.0106
7998
133 -26.07090 -0.0966 0.3866 -0.0190
7999
134 -26.07089 0.0969 -0.3873 0.0190
8000
135 -26.06390 0.0472 -0.1410 -0.1291
8001
136 -26.06388 -0.0484 0.1424 0.1302
8002
137 -26.06365 -0.0289 0.1193 0.2104
8003
138 -26.06364 0.0294 -0.1188 -0.2128
8004
139 -26.06319 -0.0265 0.0695 -0.1223
8005
140 -26.06319 0.0272 -0.0716 0.1236
8006
141 -26.04947 0.1673 -0.5214 -0.0006
8007
142 -26.04947 -0.1674 0.5214 0.0006
8008
143 -26.03387 0.0158 -0.0174 -0.3847
8009
144 -26.03387 -0.0140 0.0132 0.3847
8010
145 -26.03372 -0.0145 0.0146 0.3849
8011
146 -26.03372 0.0126 -0.0102 -0.3850
8012
147 -26.02148 -0.1370 0.4744 0.0024
8013
148 -26.02147 0.1371 -0.4745 -0.0024
8014
149 -26.02091 0.1537 -0.5154 -0.0020
8015
150 -26.02091 -0.1538 0.5154 0.0020
8016
151 -18.92799 -0.3360 0.9382 0.0826
8017
152 -18.92799 0.3360 -0.9382 -0.0826
8018
153 -18.85206 -0.3419 0.9397 0.0034
8019
154 -18.85206 0.3419 -0.9397 -0.0034
8020
155 -18.83205 0.3421 -0.9396 0.0007
8021
156 -18.83205 -0.3421 0.9396 -0.0007
8022
157 -18.27504 -0.3416 0.9398 -0.0000
8023
158 -18.27504 0.3416 -0.9398 0.0000
8024
159 -18.05890 -0.3419 0.9396 0.0004
8025
160 -18.05890 0.3419 -0.9396 -0.0004
8026
161 -17.86099 -0.3422 0.9395 0.0017
8027
162 -17.86099 0.3422 -0.9395 -0.0017
8028
163 -17.44162 -0.3419 0.9396 0.0003
8029
164 -17.44162 0.3419 -0.9396 -0.0003
8030
165 -17.19000 -0.3422 0.9394 0.0009
8031
166 -17.19000 0.3422 -0.9394 -0.0009
8032
167 -17.07076 -0.3416 0.9396 0.0006
8033
168 -17.07076 0.3416 -0.9396 -0.0006
8034
169 -14.82705 -0.3410 0.9399 -0.0009
8035
170 -14.82705 0.3410 -0.9399 0.0009
8036
171 -14.58359 0.3374 -0.9412 -0.0017
8037
172 -14.58359 -0.3374 0.9412 0.0017
8038
173 -14.39232 0.3417 -0.9396 0.0002
8039
174 -14.39232 -0.3417 0.9396 -0.0002
8040
175 -13.40698 -0.3461 0.9382 0.0007
8041
176 -13.40698 0.3461 -0.9382 -0.0007
8042
177 -13.20775 0.3452 -0.9385 0.0010
8043
178 -13.20775 -0.3452 0.9385 -0.0010
8044
179 -13.09397 0.3416 -0.9398 0.0016
8045
180 -13.09397 -0.3416 0.9398 -0.0016
8046
181 -7.66516 -0.4715 0.7394 0.0966
8047
182 -7.66516 0.4715 -0.7394 -0.0966
8048
183 -7.45082 -0.3144 0.7584 0.0035
8049
184 -7.45082 0.3144 -0.7584 -0.0035
8050
185 -7.25767 -0.2099 0.5769 0.0008
8051
186 -7.25767 0.2099 -0.5769 -0.0008
8052
187 -6.88535 -0.1427 0.4894 0.0011
8053
188 -6.88535 0.1427 -0.4894 -0.0011
8054
189 -6.84311 -0.0575 0.1781 -0.0016
8055
190 -6.84311 0.0575 -0.1781 0.0016
8056
191 -6.62527 0.1420 -0.3941 -0.0013
8057
192 -6.62523 -0.1420 0.3941 0.0013
8058
193 -6.59186 -0.1136 0.3163 0.0030
8059
194 -6.59183 0.1136 -0.3163 -0.0030
8060
195 -6.45858 0.0567 -0.2966 -0.0541
8061
196 -6.45858 -0.1058 0.3314 0.0726
8062
197 -6.45453 -0.0518 0.0686 0.1466
8063
198 -6.45453 0.0526 -0.0712 -0.1473
8064
199 -6.39881 0.0012 -0.0048 0.0176
8065
200 -6.39881 0.0008 -0.0006 -0.0177
8066
201 -6.39543 -0.0213 0.0213 -0.0242
8067
202 -6.39542 0.0215 -0.0219 0.0244
8068
203 -6.27942 0.1035 -0.2959 -0.0106
8069
204 -6.27941 -0.1055 0.3009 0.0105
8070
205 -6.23465 -0.0983 0.2814 -0.0143
8071
206 -6.23465 0.0958 -0.2750 0.0143
8072
207 -6.06767 -0.1257 0.3155 -0.0015
8073
208 -6.06767 0.1271 -0.3196 0.0015
8074
209 -5.98900 0.1067 -0.2742 -0.0637
8075
210 -5.98899 -0.1057 0.2714 0.0637
8076
211 -5.95365 0.0013 -0.0152 0.5681
8077
212 -5.95365 -0.0008 0.0137 -0.5682
8078
213 -5.89538 0.0025 0.0005 0.5143
8079
214 -5.89538 -0.0028 0.0001 -0.5143
8080
215 -5.78436 0.0550 -0.1576 -0.0096
8081
216 -5.78436 -0.0550 0.1577 0.0096
8082
217 -5.68804 -0.0302 0.0778 0.0016
8083
218 -5.68804 0.0300 -0.0769 -0.0016
8084
219 -5.42694 0.2800 -0.7810 0.0094
8085
220 -5.42689 -0.2712 0.7567 -0.0090
8086
221 -5.40434 -0.0366 0.1070 -0.0332
8087
222 -5.40431 0.0294 -0.0863 0.0327
8088
223 -5.36654 -0.1716 0.3811 -0.0504
8089
224 -5.36653 0.1695 -0.3754 0.0503
8090
225 -5.34621 -0.0386 0.0833 0.0795
8091
226 -5.34621 0.0390 -0.0845 -0.0793
8092
227 -5.28000 0.0024 0.0008 -0.5652
8093
228 -5.28000 -0.0022 -0.0013 0.5652
8094
229 -5.25001 -0.0016 -0.0029 -0.4430
8095
230 -5.25001 0.0015 0.0032 0.4430
8096
231 -5.01420 -0.2644 0.6090 0.0090
8097
232 -5.01420 0.2647 -0.6096 -0.0090
8098
233 -4.82865 -0.1980 0.5555 -0.0005
8099
234 -4.82864 0.1914 -0.5375 0.0004
8100
235 -4.77471 0.2077 -0.5558 -0.0008
8101
236 -4.77470 -0.2005 0.5361 0.0008
8102
237 -4.38161 0.2354 -0.6405 -0.0006
8103
238 -4.38160 -0.2344 0.6377 0.0006
8104
239 -4.24213 0.1603 -0.4361 -0.0001
8105
240 -4.24213 -0.1596 0.4341 0.0001
8106
241 -3.99106 -0.1054 0.2924 0.0007
8107
242 -3.99106 0.1061 -0.2944 -0.0007
8108
243 -3.84188 -0.0942 0.2710 0.0046
8109
244 -3.84188 0.0951 -0.2737 -0.0046
8110
245 -3.75712 0.0959 -0.2642 -0.0029
8111
246 -3.75712 -0.0944 0.2595 0.0029
8112
247 -2.98053 0.1624 -0.4426 0.0007
8113
248 -2.98053 -0.1637 0.4464 -0.0007
8114
249 -2.79739 0.1526 -0.4460 -0.0017
8115
250 -2.79739 -0.1535 0.4485 0.0017
8116
251 -2.59645 0.1748 -0.4721 0.0006
8117
252 -2.59644 -0.1753 0.4738 -0.0006
8118
253 -2.17608 -0.0008 -0.0011 0.4790
8119
254 -2.17608 0.0013 -0.0005 -0.4790
8120
255 -2.03659 0.0015 -0.0012 -0.3318
8121
256 -2.03659 -0.0008 -0.0008 0.3318
8122
257 -1.92635 0.0004 -0.0008 -0.4894
8123
258 -1.92635 0.0003 -0.0012 0.4895
8124
259 -1.32853 0.2484 -0.5301 0.0164
8125
260 -1.32853 -0.2494 0.5329 -0.0164
8126
261 -1.16533 -0.2076 0.5333 -0.0099
8127
262 -1.16533 0.2070 -0.5314 0.0099
8128
263 -1.07996 0.0015 -0.0095 0.7921
8129
264 -1.07996 -0.0017 0.0100 -0.7921
8130
265 -1.00856 -0.2192 0.5365 -0.0142
8131
266 -1.00856 0.2185 -0.5344 0.0142
8132
267 -0.96021 0.0174 0.0109 -0.5375
8133
268 -0.96021 -0.0176 -0.0102 0.5375
8134
269 -0.89542 0.0020 -0.0016 0.7788
8135
270 -0.89542 -0.0019 0.0013 -0.7789
8136
271 5.79077 -0.3757 1.0310 -0.0004
8137
272 5.79077 0.3760 -1.0317 0.0004
8138
273 6.10218 -0.3617 0.9966 -0.0005
8139
274 6.10218 0.3620 -0.9974 0.0005
8140
275 6.29161 -0.3908 1.0854 0.0089
8141
276 6.29161 0.3912 -1.0864 -0.0089
8142
277 6.93488 -0.4995 1.3715 -0.0061
8143
278 6.93488 0.4988 -1.3695 0.0061
8144
279 7.01688 -0.5294 1.4408 -0.0049
8145
280 7.01688 0.5286 -1.4388 0.0049
8146
281 7.22958 -0.4368 1.2041 0.0008
8147
282 7.22958 0.4368 -1.2040 -0.0008
8148
283 7.49591 0.4316 -1.1766 0.0078
8149
284 7.49591 -0.4309 1.1747 -0.0078
8150
285 7.62586 0.4519 -1.2476 0.0024
8151
286 7.62586 -0.4512 1.2460 -0.0024
8152
287 8.17015 -0.5747 1.5776 0.0064
8153
288 8.17016 0.5742 -1.5764 -0.0064
8154
289 9.13982 -0.4701 1.2980 -0.0318
8155
290 9.13984 0.4688 -1.2945 0.0317
8156
291 9.39342 0.0414 -0.1202 0.0465
8157
292 9.39344 -0.0410 0.1192 -0.0464
8158
293 9.53547 -0.0115 -0.0293 -1.0768
8159
294 9.53547 0.0115 0.0293 1.0766
8160
295 9.68208 -0.4703 1.2890 -0.1047
8161
296 9.68209 0.4687 -1.2847 0.1047
8162
297 9.82357 0.0047 -0.0156 -0.0447
8163
298 9.82357 -0.0041 0.0140 0.0447
8164
299 10.01970 0.0094 0.0018 1.0710
8165
300 10.01970 -0.0094 -0.0021 -1.0710
8166
301 10.37767 0.3350 -0.9282 0.0049
8167
302 10.37770 -0.3363 0.9320 -0.0049
8168
303 10.51254 0.2249 -0.5924 -0.1486
8169
304 10.51256 -0.2247 0.5919 0.1483
8170
305 10.64118 -0.3832 1.0682 0.1269
8171
306 10.64119 0.3827 -1.0670 -0.1266
8172
307 11.53331 0.3987 -1.0956 -0.0243
8173
308 11.53334 -0.3974 1.0921 0.0242
8174
309 11.81248 0.2037 -0.5582 -0.0465
8175
310 11.81249 -0.2041 0.5592 0.0464
8176
311 12.14114 -0.2888 0.7944 0.0292
8177
312 12.14118 0.2882 -0.7926 -0.0291
8178
313 12.89874 0.0218 -0.0492 -0.0176
8179
314 12.89875 -0.0186 0.0406 0.0174
8180
315 13.11164 0.0045 -0.0468 0.9467
8181
316 13.11164 -0.0057 0.0502 -0.9466
8182
317 13.46324 0.0066 -0.0192 0.0206
8183
318 13.46324 -0.0063 0.0187 -0.0206
8184
319 14.20760 0.0117 -0.0276 -0.1957
8185
320 14.20760 -0.0116 0.0274 0.1958
8186
321 14.71849 -0.0054 0.0132 -0.3557
8187
322 14.71849 0.0059 -0.0146 0.3556
8188
323 14.81630 -0.0376 0.1081 0.0096
8189
324 14.81634 0.0369 -0.1063 -0.0096
8190
325 14.96786 0.0595 -0.1784 0.0369
8191
326 14.96791 -0.0589 0.1767 -0.0370
8192
327 15.05358 -0.1838 0.5600 -0.0382
8193
328 15.05360 0.1854 -0.5642 0.0382
8194
329 15.19598 -0.0817 0.3321 0.3734
8195
330 15.19602 0.0768 -0.3200 -0.3731
8196
331 15.19864 0.0003 -0.0152 -0.3936
8197
332 15.19867 0.0051 0.0017 0.3934
8198
333 15.31947 0.0082 -0.0226 0.0131
8199
334 15.31948 -0.0086 0.0237 -0.0131
8200
335 15.82480 0.0024 0.0021 0.4410
8201
336 15.82480 -0.0023 -0.0022 -0.4410
8202
337 16.24874 0.3318 -0.9292 -0.0030
8203
338 16.24875 -0.3333 0.9336 0.0030
8204
339 16.62884 0.2295 -0.6272 -0.0066
8205
340 16.62884 -0.2310 0.6316 0.0066
8206
341 17.18374 -0.1175 0.3175 0.0156
8207
342 17.18375 0.1180 -0.3193 -0.0156
8208
343 17.55407 0.0024 -0.0004 -0.8828
8209
344 17.55407 -0.0011 -0.0032 0.8828
8210
345 17.75057 -0.4541 1.0987 -0.0449
8211
346 17.75058 0.4525 -1.0942 0.0449
8212
347 18.23478 -0.0671 0.1912 0.1418
8213
348 18.23479 0.0671 -0.1914 -0.1418
8214
349 18.53850 0.0050 -0.0046 -0.8238
8215
350 18.53850 -0.0046 0.0034 0.8238
8216
351 18.76555 -0.0003 0.0009 0.9470
8217
352 18.76555 0.0003 -0.0010 -0.9469
8218
353 19.21119 -0.0060 0.0185 -0.3664
8219
354 19.21119 -0.0055 0.0133 0.3665
8220
355 19.24866 -0.0009 0.0276 -0.1968
8221
356 19.24866 0.0133 -0.0616 0.1967
8222
357 19.44127 0.0048 -0.0205 0.0468
8223
358 19.44127 -0.0049 0.0206 -0.0469
8224
359 19.75416 0.0033 -0.0040 -1.0604
8225
360 19.75416 -0.0035 0.0046 1.0604
8226
361 20.20255 -0.0008 0.0003 0.5853
8227
362 20.20255 0.0006 0.0002 -0.5853
8228
363 20.51025 0.0041 -0.0175 0.7512
8229
364 20.51025 -0.0043 0.0179 -0.7512
8230
365 21.07648 -0.0034 -0.0013 -0.7751
8231
366 21.07648 0.0032 0.0015 0.7751
8232
367 21.26308 -0.2747 0.7305 0.0114
8233
368 21.26309 0.2743 -0.7295 -0.0114
8234
369 21.33945 0.2549 -0.6976 -0.0075
8235
370 21.33946 -0.2544 0.6964 0.0075
8236
371 21.78861 0.2700 -0.7393 -0.0001
8237
372 21.78861 -0.2699 0.7390 0.0001
8238
373 25.90995 -0.4204 1.1531 -0.0077
8239
374 25.90995 0.4203 -1.1528 0.0077
8240
375 27.95818 0.4036 -1.0898 -0.0016
8241
376 27.95818 -0.4035 1.0894 0.0016
8242
377 31.13796 -0.3962 1.0905 0.0013
8243
378 31.13796 0.3964 -1.0910 -0.0013
8244
379 39.40581 0.2390 -0.6560 0.0002
8245
380 39.40581 -0.2388 0.6557 -0.0002
8246
381 42.22538 -0.2940 0.7949 -0.0077
8247
382 42.22538 0.2940 -0.7949 0.0077
8248
383 46.54510 0.3083 -0.8459 0.0004
8249
384 46.54510 -0.3084 0.8460 -0.0004
8250
385 50.27645 -0.2981 0.8185 0.0032
8251
386 50.27645 0.2981 -0.8186 -0.0032
8252
387 52.16722 -0.2796 0.7646 0.0033
8253
388 52.16722 0.2796 -0.7646 -0.0033
8254
389 53.96639 -0.2673 0.7343 0.0118
8255
390 53.96639 0.2673 -0.7344 -0.0118
8256
8257
k-point 22 ( -0.004175 -0.002411 0.000000 ) (Bohr^-1)
8258
ie e(eV) Sx Sy Sz
8259
1 -51.72595 0.1232 0.4042 -0.0484
8260
2 -51.72595 -0.1233 -0.4041 0.0484
8261
3 -51.67056 0.2061 -0.3187 0.0275
8262
4 -51.67053 -0.2035 0.3175 -0.0284
8263
5 -51.66991 -0.1990 0.3531 0.0108
8264
6 -51.66985 0.1989 -0.3534 -0.0107
8265
7 -51.66905 -0.2165 0.1073 0.0847
8266
8 -51.66889 0.2318 -0.1149 -0.1052
8267
9 -51.66713 0.0375 -0.0228 0.2592
8268
10 -51.66702 -0.0549 0.0309 -0.2399
8269
11 -51.66347 0.1347 -0.3151 0.0064
8270
12 -51.66337 -0.1342 0.3146 -0.0049
8271
13 -51.65083 0.0380 -0.0337 0.4244
8272
14 -51.65080 -0.0398 0.0366 -0.4236
8273
15 -51.62123 -0.0266 0.0175 -0.3810
8274
16 -51.62122 0.0275 -0.0190 0.3807
8275
17 -51.61745 -0.0301 -0.2678 -0.0763
8276
18 -51.61731 0.0310 0.2699 0.0735
8277
19 -51.61430 0.3208 -0.2517 0.0931
8278
20 -51.61414 -0.3249 0.2541 -0.0893
8279
21 -51.61141 0.2920 0.0646 -0.1108
8280
22 -51.61138 -0.2960 -0.0601 0.1125
8281
23 -51.60396 -0.0225 0.0126 -0.2682
8282
24 -51.60393 0.0269 -0.0177 0.2665
8283
25 -51.60082 -0.0267 0.0161 -0.3305
8284
26 -51.60079 0.0304 -0.0213 0.3296
8285
27 -51.58233 0.0441 -0.0360 0.1188
8286
28 -51.58232 -0.0450 0.0373 -0.1188
8287
29 -51.26115 0.2047 -0.1686 -0.0365
8288
30 -51.26100 -0.2126 0.1789 0.0420
8289
31 -51.25336 -0.0659 0.0694 -0.4194
8290
32 -51.25327 0.0737 -0.0795 0.4139
8291
33 -51.25218 -0.2073 0.3131 0.0266
8292
34 -51.25208 0.2093 -0.3164 -0.0269
8293
35 -51.22184 0.0292 -0.0192 0.3904
8294
36 -51.22182 -0.0311 0.0224 -0.3901
8295
37 -50.84149 0.1106 -0.5478 -0.0076
8296
38 -50.84149 -0.1106 0.5478 0.0076
8297
39 -50.80217 0.1348 -0.1007 -0.2215
8298
40 -50.80215 -0.1343 0.0998 0.2218
8299
41 -50.78401 -0.0007 0.5476 0.0509
8300
42 -50.78393 -0.0134 -0.5378 -0.0629
8301
43 -50.78354 0.0129 -0.5464 -0.0450
8302
44 -50.78346 0.0163 0.5324 0.0744
8303
45 -50.78294 0.0314 0.0081 -0.3593
8304
46 -50.78292 -0.0478 -0.0018 0.3405
8305
47 -50.77955 0.0746 0.0608 0.1625
8306
48 -50.77944 -0.0817 -0.0615 -0.1613
8307
49 -50.76956 0.5762 -0.4407 -0.0996
8308
50 -50.76936 -0.5735 0.4530 0.0931
8309
51 -50.76474 -0.1578 0.0757 0.2332
8310
52 -50.76461 0.1617 -0.0845 -0.2276
8311
53 -50.75072 -0.3895 0.3240 0.0311
8312
54 -50.75053 0.3939 -0.3206 -0.0248
8313
55 -50.74879 0.0272 -0.0145 -0.4754
8314
56 -50.74875 -0.0077 0.0034 0.4880
8315
57 -50.74856 0.1029 -0.0740 0.2036
8316
58 -50.74850 -0.1352 0.0877 -0.2150
8317
59 -50.74818 0.2009 -0.1527 -0.0603
8318
60 -50.74813 -0.1895 0.1392 0.0542
8319
61 -50.73809 0.0260 0.0681 0.3975
8320
62 -50.73807 -0.0264 -0.0666 -0.3967
8321
63 -50.73672 -0.0381 0.1427 0.1339
8322
64 -50.73667 0.0368 -0.1421 -0.1365
8323
65 -50.71704 -0.1944 0.1376 -0.3415
8324
66 -50.71697 0.1968 -0.1371 0.3469
8325
67 -50.71108 0.3951 -0.3844 0.1591
8326
68 -50.71101 -0.3959 0.3817 -0.1624
8327
69 -50.70752 0.0403 -0.0711 -0.3565
8328
70 -50.70748 -0.0415 0.0735 0.3563
8329
71 -50.69744 0.0101 0.0737 0.7280
8330
72 -50.69740 -0.0087 -0.0776 -0.7305
8331
73 -50.69359 0.0442 -0.0994 -0.2985
8332
74 -50.69353 -0.0463 0.1037 0.2976
8333
75 -50.69157 -0.2952 0.3820 -0.2189
8334
76 -50.69153 0.2950 -0.3804 0.2212
8335
77 -50.67064 -0.0238 0.0781 0.4566
8336
78 -50.67063 0.0241 -0.0788 -0.4564
8337
79 -50.37978 -0.1934 0.4629 0.0151
8338
80 -50.37966 0.1936 -0.4645 -0.0151
8339
81 -50.36793 0.0478 -0.1350 0.0408
8340
82 -50.36782 -0.0428 0.1284 -0.0417
8341
83 -50.36314 0.1341 -0.4303 -0.0536
8342
84 -50.36303 -0.1337 0.4317 0.0546
8343
85 -50.34546 -0.3003 0.1942 -0.0434
8344
86 -50.34532 0.2961 -0.1873 0.0414
8345
87 -50.34024 -0.0271 -0.1354 0.1232
8346
88 -50.34013 0.0220 0.1434 -0.1224
8347
89 -50.32249 -0.1121 0.1763 0.1472
8348
90 -50.32235 0.1159 -0.1844 -0.1462
8349
91 -29.08020 0.0009 -0.0006 -0.3540
8350
92 -29.08020 -0.0009 0.0006 0.3540
8351
93 -29.07569 -0.0016 0.0020 0.0982
8352
94 -29.07569 0.0007 -0.0004 -0.0983
8353
95 -29.07495 0.0016 -0.0020 -0.0220
8354
96 -29.07495 -0.0006 0.0004 0.0221
8355
97 -29.06417 -0.0016 -0.0012 -0.1281
8356
98 -29.06417 0.0015 0.0013 0.1281
8357
99 -29.05159 -0.1987 0.3495 0.0002
8358
100 -29.05159 0.1987 -0.3496 -0.0002
8359
101 -29.04910 0.1990 -0.3478 0.0007
8360
102 -29.04909 -0.1990 0.3478 -0.0007
8361
103 -29.04705 0.1932 -0.3500 0.0003
8362
104 -29.04705 -0.1932 0.3501 -0.0003
8363
105 -29.03333 -0.1960 0.3467 0.0002
8364
106 -29.03333 0.1960 -0.3467 -0.0002
8365
107 -29.02457 0.0037 -0.0063 -0.1679
8366
108 -29.02457 0.0009 -0.0016 0.1679
8367
109 -29.02455 -0.0034 0.0058 0.1675
8368
110 -29.02455 -0.0012 0.0020 -0.1675
8369
111 -29.00455 -0.1926 0.3425 0.0003
8370
112 -29.00454 0.1926 -0.3425 -0.0003
8371
113 -29.00425 0.1983 -0.3522 -0.0003
8372
114 -29.00424 -0.1983 0.3522 0.0003
8373
115 -26.15001 0.0475 -0.1020 -0.0079
8374
116 -26.15001 -0.0476 0.1021 0.0079
8375
117 -26.13654 0.0740 -0.0876 0.0513
8376
118 -26.13654 -0.0737 0.0870 -0.0513
8377
119 -26.13444 -0.0671 0.0895 -0.0257
8378
120 -26.13444 0.0667 -0.0889 0.0257
8379
121 -26.10100 0.0468 -0.0155 0.0338
8380
122 -26.10100 -0.0465 0.0151 -0.0338
8381
123 -26.08895 0.0232 0.0030 -0.4343
8382
124 -26.08895 -0.0235 -0.0025 0.4343
8383
125 -26.08453 -0.0134 0.0188 0.5257
8384
126 -26.08453 0.0131 -0.0181 -0.5258
8385
127 -26.08420 0.0151 -0.0166 -0.5378
8386
128 -26.08420 -0.0138 0.0146 0.5381
8387
129 -26.08233 -0.1620 0.0858 0.0694
8388
130 -26.08232 0.1610 -0.0844 -0.0696
8389
131 -26.07528 0.1816 -0.3555 0.0119
8390
132 -26.07528 -0.1818 0.3559 -0.0119
8391
133 -26.07090 -0.1636 0.3580 -0.0223
8392
134 -26.07089 0.1640 -0.3586 0.0222
8393
135 -26.06390 0.0718 -0.1326 -0.1464
8394
136 -26.06388 -0.0733 0.1340 0.1486
8395
137 -26.06365 -0.0474 0.1099 0.1964
8396
138 -26.06364 0.0477 -0.1095 -0.1985
8397
139 -26.06319 -0.0321 0.0624 -0.1964
8398
140 -26.06319 0.0334 -0.0643 0.1964
8399
141 -26.04947 0.2546 -0.4786 -0.0007
8400
142 -26.04947 -0.2546 0.4786 0.0007
8401
143 -26.03387 0.0185 -0.0164 -0.4013
8402
144 -26.03387 -0.0159 0.0125 0.4014
8403
145 -26.03372 -0.0166 0.0136 0.4025
8404
146 -26.03372 0.0139 -0.0095 -0.4026
8405
147 -26.02147 -0.2174 0.4361 0.0028
8406
148 -26.02147 0.2176 -0.4362 -0.0028
8407
149 -26.02091 0.2411 -0.4741 -0.0022
8408
150 -26.02091 -0.2412 0.4741 0.0022
8409
151 -18.92799 -0.4938 0.8649 0.0901
8410
152 -18.92799 0.4938 -0.8649 -0.0901
8411
153 -18.85206 -0.4999 0.8661 0.0027
8412
154 -18.85206 0.4999 -0.8661 -0.0027
8413
155 -18.83205 0.5001 -0.8659 0.0015
8414
156 -18.83205 -0.5001 0.8659 -0.0015
8415
157 -18.27504 -0.4996 0.8661 0.0001
8416
158 -18.27504 0.4996 -0.8661 -0.0001
8417
159 -18.05890 -0.4999 0.8660 0.0005
8418
160 -18.05890 0.4999 -0.8660 -0.0005
8419
161 -17.86099 -0.5001 0.8658 0.0022
8420
162 -17.86099 0.5001 -0.8658 -0.0022
8421
163 -17.44162 -0.4999 0.8659 0.0003
8422
164 -17.44162 0.4999 -0.8659 -0.0003
8423
165 -17.19000 -0.5001 0.8658 0.0010
8424
166 -17.19000 0.5001 -0.8658 -0.0010
8425
167 -17.07076 -0.4996 0.8660 0.0007
8426
168 -17.07076 0.4996 -0.8660 -0.0007
8427
169 -14.82705 -0.4991 0.8664 -0.0012
8428
170 -14.82705 0.4991 -0.8664 0.0012
8429
171 -14.58359 0.4965 -0.8678 -0.0023
8430
172 -14.58359 -0.4965 0.8678 0.0023
8431
173 -14.39232 0.4997 -0.8660 0.0000
8432
174 -14.39232 -0.4997 0.8660 -0.0000
8433
175 -13.40698 -0.5034 0.8640 0.0021
8434
176 -13.40698 0.5034 -0.8640 -0.0021
8435
177 -13.20775 0.5025 -0.8645 0.0005
8436
178 -13.20775 -0.5025 0.8645 -0.0005
8437
179 -13.09397 0.4997 -0.8662 0.0017
8438
180 -13.09397 -0.4997 0.8662 -0.0017
8439
181 -7.66516 -0.5670 0.6678 0.1029
8440
182 -7.66516 0.5670 -0.6678 -0.1029
8441
183 -7.45082 -0.4372 0.6948 0.0091
8442
184 -7.45082 0.4372 -0.6948 -0.0091
8443
185 -7.25767 -0.3068 0.5316 0.0004
8444
186 -7.25767 0.3068 -0.5316 -0.0004
8445
187 -6.88535 -0.2284 0.4556 -0.0001
8446
188 -6.88535 0.2284 -0.4556 0.0001
8447
189 -6.84311 -0.0880 0.1648 -0.0025
8448
190 -6.84311 0.0880 -0.1648 0.0025
8449
191 -6.62526 0.2082 -0.3630 -0.0001
8450
192 -6.62523 -0.2083 0.3630 0.0001
8451
193 -6.59186 -0.1667 0.2913 0.0000
8452
194 -6.59183 0.1668 -0.2914 -0.0000
8453
195 -6.45858 0.1401 -0.2448 -0.0084
8454
196 -6.45858 -0.1778 0.3060 0.0017
8455
197 -6.45453 -0.0520 0.1006 -0.0009
8456
198 -6.45453 0.0533 -0.1029 0.0009
8457
199 -6.39882 0.0044 -0.0066 0.0510
8458
200 -6.39882 -0.0016 0.0016 -0.0511
8459
201 -6.39541 -0.0295 0.0454 -0.0280
8460
202 -6.39541 0.0298 -0.0459 0.0280
8461
203 -6.27942 0.1538 -0.2732 -0.0063
8462
204 -6.27941 -0.1567 0.2779 0.0063
8463
205 -6.23465 -0.1465 0.2604 -0.0079
8464
206 -6.23465 0.1428 -0.2544 0.0079
8465
207 -6.06768 -0.1771 0.2892 0.0018
8466
208 -6.06767 0.1791 -0.2930 -0.0018
8467
209 -5.98899 0.1508 -0.2515 -0.0551
8468
210 -5.98899 -0.1493 0.2489 0.0551
8469
211 -5.95365 -0.0037 -0.0142 0.5763
8470
212 -5.95365 0.0045 0.0128 -0.5763
8471
213 -5.89538 0.0033 0.0006 0.5897
8472
214 -5.89538 -0.0037 -0.0000 -0.5897
8473
215 -5.78436 0.0816 -0.1454 -0.0086
8474
216 -5.78436 -0.0816 0.1456 0.0086
8475
217 -5.68804 -0.0429 0.0713 0.0006
8476
218 -5.68804 0.0426 -0.0705 -0.0006
8477
219 -5.42692 0.4118 -0.7201 -0.0003
8478
220 -5.42688 -0.3989 0.6977 0.0003
8479
221 -5.40437 -0.0549 0.0990 -0.0002
8480
222 -5.40434 0.0442 -0.0799 0.0002
8481
223 -5.36653 -0.2317 0.3474 -0.0005
8482
224 -5.36652 0.2286 -0.3421 0.0005
8483
225 -5.34621 -0.0532 0.0759 0.0031
8484
226 -5.34620 0.0538 -0.0770 -0.0031
8485
227 -5.28001 0.0023 0.0003 -0.5963
8486
228 -5.28000 -0.0021 -0.0007 0.5963
8487
229 -5.25001 -0.0023 -0.0018 -0.5891
8488
230 -5.25001 0.0022 0.0020 0.5891
8489
231 -5.01420 -0.3615 0.5568 0.0096
8490
232 -5.01420 0.3619 -0.5574 -0.0096
8491
233 -4.82865 -0.2918 0.5125 -0.0006
8492
234 -4.82864 0.2823 -0.4959 0.0006
8493
235 -4.77471 0.3006 -0.5117 -0.0010
8494
236 -4.77470 -0.2901 0.4935 0.0010
8495
237 -4.38161 0.3428 -0.5900 -0.0013
8496
238 -4.38160 -0.3414 0.5875 0.0013
8497
239 -4.24213 0.2334 -0.4017 -0.0005
8498
240 -4.24213 -0.2325 0.3999 0.0005
8499
241 -3.99106 -0.1547 0.2696 0.0008
8500
242 -3.99106 0.1557 -0.2714 -0.0008
8501
243 -3.84188 -0.1403 0.2503 0.0052
8502
244 -3.84188 0.1416 -0.2528 -0.0052
8503
245 -3.75712 0.1403 -0.2435 -0.0031
8504
246 -3.75712 -0.1381 0.2391 0.0031
8505
247 -2.98053 0.2367 -0.4078 0.0002
8506
248 -2.98053 -0.2386 0.4112 -0.0002
8507
249 -2.79739 0.2287 -0.4122 -0.0023
8508
250 -2.79739 -0.2299 0.4145 0.0023
8509
251 -2.59645 0.2538 -0.4347 0.0006
8510
252 -2.59644 -0.2545 0.4363 -0.0006
8511
253 -2.17608 -0.0006 -0.0008 0.5043
8512
254 -2.17608 0.0014 -0.0006 -0.5043
8513
255 -2.03659 0.0016 -0.0013 -0.3641
8514
256 -2.03659 -0.0005 -0.0005 0.3641
8515
257 -1.92635 0.0008 -0.0006 -0.6379
8516
258 -1.92635 0.0004 -0.0014 0.6379
8517
259 -1.32853 0.3302 -0.4839 0.0117
8518
260 -1.32853 -0.3317 0.4865 -0.0117
8519
261 -1.16533 -0.2957 0.4899 -0.0024
8520
262 -1.16533 0.2947 -0.4881 0.0024
8521
263 -1.07996 0.0024 -0.0098 0.5723
8522
264 -1.07996 -0.0026 0.0102 -0.5723
8523
265 -1.00856 -0.3063 0.4917 -0.0040
8524
266 -1.00856 0.3053 -0.4898 0.0040
8525
267 -0.96021 0.0188 0.0070 -0.4734
8526
268 -0.96021 -0.0192 -0.0064 0.4734
8527
269 -0.89542 0.0021 -0.0007 0.6834
8528
270 -0.89542 -0.0019 0.0005 -0.6834
8529
271 5.79077 -0.5490 0.9501 -0.0003
8530
272 5.79077 0.5494 -0.9508 0.0003
8531
273 6.10218 -0.5293 0.9185 -0.0003
8532
274 6.10218 0.5298 -0.9193 0.0003
8533
275 6.29161 -0.5737 1.0009 0.0087
8534
276 6.29161 0.5743 -1.0018 -0.0087
8535
277 6.93488 -0.7301 1.2639 -0.0006
8536
278 6.93488 0.7291 -1.2621 0.0006
8537
279 7.01688 -0.7711 1.3273 -0.0019
8538
280 7.01688 0.7700 -1.3254 0.0019
8539
281 7.22958 -0.6394 1.1099 0.0004
8540
282 7.22958 0.6393 -1.1098 -0.0004
8541
283 7.49591 0.6290 -1.0840 0.0042
8542
284 7.49591 -0.6280 1.0823 -0.0042
8543
285 7.62586 0.6618 -1.1501 -0.0045
8544
286 7.62586 -0.6609 1.1486 0.0045
8545
287 8.17015 -0.8398 1.4539 0.0006
8546
288 8.17016 0.8392 -1.4528 -0.0006
8547
289 9.13982 -0.6887 1.1968 -0.0025
8548
290 9.13984 0.6868 -1.1937 0.0025
8549
291 9.39342 0.0623 -0.1098 0.0005
8550
292 9.39345 -0.0617 0.1089 -0.0005
8551
293 9.53547 0.0227 -0.0327 0.1074
8552
294 9.53547 -0.0227 0.0327 -0.1074
8553
295 9.68208 -0.6893 1.1908 -0.0157
8554
296 9.68209 0.6870 -1.1869 0.0157
8555
297 9.82357 0.0074 -0.0140 -0.0075
8556
298 9.82357 -0.0065 0.0125 0.0075
8557
299 10.01970 0.0168 -0.0217 0.4861
8558
300 10.01970 -0.0167 0.0215 -0.4861
8559
301 10.37770 0.4920 -0.8550 -0.0012
8560
302 10.37773 -0.4940 0.8585 0.0012
8561
303 10.51248 0.3230 -0.5527 -0.0054
8562
304 10.51250 -0.3226 0.5523 0.0054
8563
305 10.64121 -0.5682 0.9901 0.0052
8564
306 10.64122 0.5676 -0.9890 -0.0052
8565
307 11.53331 0.5831 -1.0098 0.0006
8566
308 11.53334 -0.5812 1.0067 -0.0006
8567
309 11.81249 0.2977 -0.5149 0.0090
8568
310 11.81250 -0.2983 0.5159 -0.0090
8569
311 12.14112 -0.4226 0.7320 -0.0044
8570
312 12.14116 0.4217 -0.7304 0.0044
8571
313 12.89874 0.0285 -0.0470 -0.0088
8572
314 12.89875 -0.0238 0.0391 0.0088
8573
315 13.11164 -0.0047 -0.0838 0.5955
8574
316 13.11164 0.0029 0.0869 -0.5955
8575
317 13.46324 0.0099 -0.0177 0.0274
8576
318 13.46324 -0.0094 0.0172 -0.0274
8577
319 14.20760 0.0169 -0.0244 -0.2468
8578
320 14.20760 -0.0168 0.0242 0.2468
8579
321 14.71849 -0.0065 0.0128 -0.3195
8580
322 14.71849 0.0072 -0.0140 0.3195
8581
323 14.81631 -0.0557 0.0993 0.0017
8582
324 14.81635 0.0547 -0.0976 -0.0017
8583
325 14.96785 0.0897 -0.1645 0.0001
8584
326 14.96790 -0.0888 0.1629 -0.0001
8585
327 15.05357 -0.2812 0.5219 0.0008
8586
328 15.05359 0.2834 -0.5257 -0.0007
8587
329 15.19599 -0.1327 0.3183 0.0289
8588
330 15.19602 0.1255 -0.3070 -0.0288
8589
331 15.19865 0.0046 -0.0194 -0.0407
8590
332 15.19868 0.0033 0.0069 0.0406
8591
333 15.31947 0.0121 -0.0208 -0.0361
8592
334 15.31948 -0.0126 0.0218 0.0361
8593
335 15.82480 -0.0005 -0.0010 0.7692
8594
336 15.82480 0.0005 0.0009 -0.7692
8595
337 16.24874 0.4889 -0.8571 -0.0038
8596
338 16.24875 -0.4911 0.8611 0.0038
8597
339 16.62884 0.3348 -0.5779 -0.0027
8598
340 16.62884 -0.3370 0.5820 0.0027
8599
341 17.18374 -0.1708 0.2922 0.0135
8600
342 17.18374 0.1715 -0.2938 -0.0136
8601
343 17.55407 0.0041 0.0002 -0.8742
8602
344 17.55407 -0.0022 -0.0035 0.8742
8603
345 17.75057 -0.6321 1.0073 -0.0393
8604
346 17.75058 0.6298 -1.0031 0.0393
8605
347 18.23478 -0.0991 0.1765 0.1359
8606
348 18.23479 0.0990 -0.1767 -0.1359
8607
349 18.53850 0.0046 -0.0053 -0.8265
8608
350 18.53850 -0.0040 0.0043 0.8265
8609
351 18.76555 0.0003 0.0005 0.9480
8610
352 18.76555 -0.0003 -0.0006 -0.9480
8611
353 19.21119 -0.0071 0.0171 -0.5895
8612
354 19.21119 -0.0098 0.0122 0.5895
8613
355 19.24866 -0.0055 0.0265 -0.1652
8614
356 19.24866 0.0235 -0.0578 0.1652
8615
357 19.44127 0.0080 -0.0187 0.0222
8616
358 19.44127 -0.0080 0.0188 -0.0222
8617
359 19.75416 0.0009 -0.0053 -1.0199
8618
360 19.75416 -0.0012 0.0058 1.0199
8619
361 20.20255 -0.0010 0.0017 0.3710
8620
362 20.20255 0.0008 -0.0013 -0.3710
8621
363 20.51025 0.0064 -0.0142 0.9389
8622
364 20.51025 -0.0066 0.0145 -0.9389
8623
365 21.07648 -0.0003 0.0019 -0.7073
8624
366 21.07648 0.0001 -0.0016 0.7073
8625
367 21.26308 -0.3966 0.6721 -0.0001
8626
368 21.26309 0.3961 -0.6712 0.0001
8627
369 21.33945 0.3721 -0.6429 -0.0022
8628
370 21.33946 -0.3714 0.6417 0.0022
8629
371 21.78861 0.3942 -0.6812 -0.0000
8630
372 21.78861 -0.3940 0.6809 0.0000
8631
373 25.90995 -0.6142 1.0626 -0.0060
8632
374 25.90995 0.6141 -1.0624 0.0060
8633
375 27.95818 0.5861 -1.0035 -0.0027
8634
376 27.95818 -0.5858 1.0031 0.0027
8635
377 31.13796 -0.5796 1.0051 0.0008
8636
378 31.13796 0.5799 -1.0055 -0.0008
8637
379 39.40581 0.3492 -0.6046 0.0002
8638
380 39.40581 -0.3491 0.6042 -0.0002
8639
381 42.22538 -0.4271 0.7320 -0.0073
8640
382 42.22538 0.4272 -0.7321 0.0073
8641
383 46.54510 0.4505 -0.7795 0.0016
8642
384 46.54510 -0.4506 0.7796 -0.0016
8643
385 50.27645 -0.4357 0.7544 -0.0007
8644
386 50.27645 0.4357 -0.7544 0.0007
8645
387 52.16722 -0.4080 0.7045 0.0012
8646
388 52.16722 0.4080 -0.7045 -0.0012
8647
389 53.96639 -0.3908 0.6769 -0.0026
8648
390 53.96639 0.3908 -0.6769 0.0026
8649
8650
k-point 23 ( -0.003693 -0.003099 0.000000 ) (Bohr^-1)
8651
ie e(eV) Sx Sy Sz
8652
1 -51.72595 0.0668 0.3858 -0.0687
8653
2 -51.72595 -0.0669 -0.3857 0.0687
8654
3 -51.67056 0.2497 -0.2760 0.0290
8655
4 -51.67053 -0.2469 0.2746 -0.0300
8656
5 -51.66991 -0.2544 0.3080 0.0115
8657
6 -51.66985 0.2543 -0.3082 -0.0114
8658
7 -51.66906 -0.2133 0.1121 0.0834
8659
8 -51.66888 0.2297 -0.1208 -0.1056
8660
9 -51.66713 0.0387 -0.0232 0.2693
8661
10 -51.66702 -0.0573 0.0326 -0.2485
8662
11 -51.66347 0.1893 -0.2733 0.0067
8663
12 -51.66337 -0.1887 0.2728 -0.0050
8664
13 -51.65083 0.0414 -0.0314 0.4312
8665
14 -51.65080 -0.0437 0.0340 -0.4304
8666
15 -51.62123 -0.0279 0.0174 -0.3795
8667
16 -51.62122 0.0290 -0.0188 0.3792
8668
17 -51.61745 0.0166 -0.2021 -0.0816
8669
18 -51.61731 -0.0161 0.2035 0.0786
8670
19 -51.61431 0.3545 -0.2495 0.0995
8671
20 -51.61414 -0.3591 0.2521 -0.0954
8672
21 -51.61141 0.2764 -0.0001 -0.1197
8673
22 -51.61138 -0.2811 0.0043 0.1215
8674
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8900
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8910
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8912
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8914
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8915
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8916
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8917
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8918
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8919
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8920
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8921
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8922
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272 5.79077 0.7061 -0.8410 0.0001
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273 6.10218 -0.6810 0.8125 -0.0001
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274 6.10218 0.6816 -0.8132 0.0001
8926
275 6.29161 -0.7394 0.8855 0.0082
8927
276 6.29161 0.7402 -0.8863 -0.0082
8928
277 6.93488 -0.9385 1.1179 0.0050
8929
278 6.93488 0.9371 -1.1163 -0.0050
8930
279 7.01688 -0.9891 1.1739 0.0012
8931
280 7.01688 0.9877 -1.1722 -0.0012
8932
281 7.22958 -0.8226 0.9819 -0.0000
8933
282 7.22958 0.8225 -0.9817 0.0000
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283 7.49591 0.8072 -0.9588 0.0004
8935
284 7.49591 -0.8059 0.9573 -0.0004
8936
285 7.62586 0.8518 -1.0173 -0.0113
8937
286 7.62586 -0.8507 1.0160 0.0113
8938
287 8.17015 -1.0795 1.2861 -0.0053
8939
288 8.17016 1.0786 -1.2851 0.0053
8940
289 9.13982 -0.8862 1.0586 0.0268
8941
290 9.13984 0.8838 -1.0558 -0.0268
8942
291 9.39342 0.0816 -0.0966 -0.0456
8943
292 9.39344 -0.0808 0.0959 0.0455
8944
293 9.53547 0.0311 -0.0037 1.0814
8945
294 9.53547 -0.0312 0.0038 -1.0813
8946
295 9.68208 -0.8846 1.0514 0.0739
8947
296 9.68209 0.8817 -1.0479 -0.0739
8948
297 9.82357 0.0100 -0.0122 0.0296
8949
298 9.82357 -0.0088 0.0108 -0.0296
8950
299 10.01970 -0.0054 -0.0095 -1.0497
8951
300 10.01970 0.0056 0.0093 1.0496
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301 10.37769 0.6342 -0.7558 -0.0073
8953
302 10.37771 -0.6367 0.7589 0.0073
8954
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8956
305 10.64119 -0.7299 0.8703 -0.1170
8957
306 10.64121 0.7290 -0.8693 0.1167
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308 11.53334 -0.7471 0.8903 -0.0254
8960
309 11.81248 0.3817 -0.4546 0.0641
8961
310 11.81249 -0.3825 0.4555 -0.0641
8962
311 12.14113 -0.5434 0.6472 -0.0378
8963
312 12.14117 0.5422 -0.6457 0.0376
8964
313 12.89873 0.0333 -0.0418 0.0002
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314 12.89875 -0.0272 0.0348 -0.0001
8966
315 13.11164 -0.0358 -0.0879 -0.2312
8967
316 13.11164 0.0335 0.0906 0.2311
8968
317 13.46324 0.0129 -0.0156 0.0335
8969
318 13.46324 -0.0123 0.0152 -0.0335
8970
319 14.20760 0.0211 -0.0205 -0.2768
8971
320 14.20760 -0.0209 0.0203 0.2768
8972
321 14.71849 -0.0073 0.0120 -0.2924
8973
322 14.71849 0.0083 -0.0131 0.2924
8974
323 14.81631 -0.0721 0.0875 -0.0062
8975
324 14.81635 0.0709 -0.0860 0.0062
8976
325 14.96785 0.1174 -0.1452 -0.0370
8977
326 14.96790 -0.1163 0.1438 0.0371
8978
327 15.05356 -0.3680 0.4601 0.0404
8979
328 15.05358 0.3709 -0.4635 -0.0403
8980
329 15.19600 -0.1806 0.2877 -0.3469
8981
330 15.19603 0.1714 -0.2776 0.3468
8982
331 15.19864 0.0072 -0.0173 0.3481
8983
332 15.19867 0.0029 0.0061 -0.3481
8984
333 15.31947 0.0156 -0.0183 -0.0834
8985
334 15.31948 -0.0163 0.0192 0.0834
8986
335 15.82480 -0.0033 -0.0008 0.6644
8987
336 15.82480 0.0034 0.0008 -0.6644
8988
337 16.24874 0.6314 -0.7583 -0.0045
8989
338 16.24875 -0.6342 0.7618 0.0046
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340 16.62884 -0.4327 0.5148 -0.0013
8992
341 17.18374 -0.2187 0.2583 0.0111
8993
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8994
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8995
344 17.55407 -0.0033 -0.0025 0.8593
8996
345 17.75057 -0.7889 0.8902 -0.0329
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346 17.75058 0.7859 -0.8865 0.0328
8998
347 18.23478 -0.1284 0.1563 0.1260
8999
348 18.23479 0.1283 -0.1565 -0.1260
9000
349 18.53850 0.0035 -0.0050 -0.8237
9001
350 18.53850 -0.0028 0.0041 0.8237
9002
351 18.76555 0.0007 0.0001 0.9482
9003
352 18.76555 -0.0006 -0.0002 -0.9482
9004
353 19.21118 -0.0089 0.0147 -0.6973
9005
354 19.21119 -0.0129 0.0112 0.6972
9006
355 19.24866 -0.0111 0.0240 -0.1252
9007
356 19.24866 0.0342 -0.0518 0.1253
9008
357 19.44127 0.0108 -0.0162 -0.0031
9009
358 19.44127 -0.0109 0.0162 0.0031
9010
359 19.75416 -0.0024 -0.0047 -1.0452
9011
360 19.75416 0.0020 0.0051 1.0452
9012
361 20.20255 0.0003 0.0011 -0.5421
9013
362 20.20255 -0.0007 -0.0007 0.5420
9014
363 20.51025 0.0080 -0.0111 1.0614
9015
364 20.51025 -0.0083 0.0113 -1.0614
9016
365 21.07647 0.0036 0.0021 -0.6200
9017
366 21.07647 -0.0038 -0.0019 0.6200
9018
367 21.26308 -0.5059 0.5942 -0.0116
9019
368 21.26309 0.5053 -0.5934 0.0116
9020
369 21.33945 0.4780 -0.5686 0.0032
9021
370 21.33946 -0.4771 0.5676 -0.0032
9022
371 21.78861 0.5063 -0.6025 0.0001
9023
372 21.78861 -0.5061 0.6023 -0.0001
9024
373 25.90995 -0.7893 0.9399 -0.0041
9025
374 25.90995 0.7891 -0.9397 0.0041
9026
375 27.95818 0.7503 -0.8874 -0.0037
9027
376 27.95818 -0.7500 0.8871 0.0037
9028
377 31.13796 -0.7455 0.8891 0.0003
9029
378 31.13796 0.7458 -0.8895 -0.0003
9030
379 39.40581 0.4489 -0.5347 0.0003
9031
380 39.40581 -0.4487 0.5345 -0.0003
9032
381 42.22538 -0.5470 0.6474 -0.0066
9033
382 42.22538 0.5470 -0.6474 0.0066
9034
383 46.54510 0.5789 -0.6895 0.0027
9035
384 46.54510 -0.5790 0.6896 -0.0027
9036
385 50.27645 -0.5600 0.6673 -0.0046
9037
386 50.27645 0.5601 -0.6673 0.0046
9038
387 52.16722 -0.5240 0.6231 -0.0008
9039
388 52.16722 0.5240 -0.6232 0.0008
9040
389 53.96639 -0.5023 0.5986 -0.0169
9041
390 53.96639 0.5023 -0.5986 0.0169
9042
9043
k-point 24 ( -0.003099 -0.003693 0.000000 ) (Bohr^-1)
9044
ie e(eV) Sx Sy Sz
9045
1 -51.72595 -0.0397 0.3160 -0.0980
9046
2 -51.72595 0.0396 -0.3159 0.0980
9047
3 -51.67056 0.2864 -0.2308 0.0299
9048
4 -51.67053 -0.2835 0.2293 -0.0309
9049
5 -51.66991 -0.3021 0.2556 0.0119
9050
6 -51.66985 0.3021 -0.2558 -0.0118
9051
7 -51.66906 -0.2107 0.1164 0.0827
9052
8 -51.66888 0.2277 -0.1257 -0.1058
9053
9 -51.66714 0.0395 -0.0232 0.2748
9054
10 -51.66702 -0.0587 0.0336 -0.2531
9055
11 -51.66347 0.2383 -0.2214 0.0068
9056
12 -51.66337 -0.2376 0.2210 -0.0050
9057
13 -51.65083 0.0440 -0.0290 0.4341
9058
14 -51.65080 -0.0466 0.0312 -0.4333
9059
15 -51.62123 -0.0287 0.0172 -0.3774
9060
16 -51.62122 0.0301 -0.0183 0.3771
9061
17 -51.61745 0.0619 -0.1326 -0.0847
9062
18 -51.61731 -0.0617 0.1334 0.0816
9063
19 -51.61431 0.3786 -0.2411 0.1032
9064
20 -51.61414 -0.3833 0.2438 -0.0989
9065
21 -51.61141 0.2524 -0.0647 -0.1250
9066
22 -51.61138 -0.2577 0.0685 0.1270
9067
23 -51.60396 -0.0263 0.0151 -0.3263
9068
24 -51.60393 0.0322 -0.0194 0.3244
9069
25 -51.60083 -0.0290 0.0169 -0.3459
9070
26 -51.60079 0.0342 -0.0210 0.3449
9071
27 -51.58233 0.0513 -0.0330 0.1204
9072
28 -51.58232 -0.0525 0.0340 -0.1204
9073
29 -51.26116 0.2199 -0.1423 -0.0363
9074
30 -51.26099 -0.2308 0.1506 0.0425
9075
31 -51.25337 -0.0803 0.0564 -0.4425
9076
32 -51.25327 0.0911 -0.0646 0.4363
9077
33 -51.25218 -0.2839 0.2271 0.0286
9078
34 -51.25208 0.2869 -0.2296 -0.0289
9079
35 -51.22185 0.0314 -0.0188 0.3925
9080
36 -51.22182 -0.0343 0.0212 -0.3921
9081
37 -50.84149 0.3224 -0.3722 -0.0104
9082
38 -50.84149 -0.3224 0.3722 0.0104
9083
39 -50.80217 0.1603 -0.1005 -0.2510
9084
40 -50.80215 -0.1595 0.0998 0.2513
9085
41 -50.78400 -0.2282 0.3644 0.0732
9086
42 -50.78393 0.2113 -0.3542 -0.0872
9087
43 -50.78354 0.2390 -0.3643 -0.0649
9088
44 -50.78347 -0.2066 0.3465 0.0989
9089
45 -50.78294 0.0226 -0.0047 -0.3691
9090
46 -50.78292 -0.0401 0.0139 0.3475
9091
47 -50.77955 0.0445 0.0071 0.1678
9092
48 -50.77943 -0.0509 -0.0050 -0.1664
9093
49 -50.76957 0.6341 -0.4003 -0.1044
9094
50 -50.76935 -0.6357 0.4060 0.0970
9095
51 -50.76475 -0.1531 0.0836 0.2350
9096
52 -50.76460 0.1597 -0.0897 -0.2285
9097
53 -50.75073 -0.4354 0.2829 0.0330
9098
54 -50.75052 0.4383 -0.2825 -0.0259
9099
55 -50.74879 0.0288 -0.0162 -0.4750
9100
56 -50.74875 -0.0066 0.0034 0.4895
9101
57 -50.74856 0.1129 -0.0702 0.2276
9102
58 -50.74850 -0.1462 0.0878 -0.2405
9103
59 -50.74817 0.2576 -0.1628 -0.0682
9104
60 -50.74814 -0.2441 0.1525 0.0612
9105
61 -50.73809 0.0010 0.0304 0.4806
9106
62 -50.73808 -0.0018 -0.0295 -0.4797
9107
63 -50.73672 -0.0786 0.0842 0.1422
9108
64 -50.73667 0.0772 -0.0835 -0.1452
9109
65 -50.71705 -0.2042 0.1258 -0.3458
9110
66 -50.71696 0.2063 -0.1264 0.3521
9111
67 -50.71108 0.4659 -0.3193 0.1678
9112
68 -50.71101 -0.4656 0.3180 -0.1716
9113
69 -50.70752 0.0606 -0.0511 -0.4110
9114
70 -50.70748 -0.0625 0.0528 0.4108
9115
71 -50.69744 -0.0172 0.0396 0.8982
9116
72 -50.69740 0.0199 -0.0422 -0.9011
9117
73 -50.69359 0.0776 -0.0711 -0.3599
9118
74 -50.69353 -0.0810 0.0742 0.3588
9119
75 -50.69157 -0.3765 0.2850 -0.2283
9120
76 -50.69153 0.3758 -0.2840 0.2310
9121
77 -50.67064 -0.0512 0.0528 0.5578
9122
78 -50.67063 0.0517 -0.0533 -0.5576
9123
79 -50.37978 -0.3341 0.3127 0.0171
9124
80 -50.37966 0.3348 -0.3136 -0.0170
9125
81 -50.36792 0.1041 -0.1029 0.0462
9126
82 -50.36783 -0.0972 0.0976 -0.0472
9127
83 -50.36315 0.2602 -0.2670 -0.0582
9128
84 -50.36303 -0.2603 0.2676 0.0593
9129
85 -50.34546 -0.3397 0.2032 -0.0483
9130
86 -50.34532 0.3334 -0.1980 0.0461
9131
87 -50.34024 0.0211 -0.0653 0.1420
9132
88 -50.34013 -0.0287 0.0714 -0.1410
9133
89 -50.32250 -0.1593 0.1292 0.1657
9134
90 -50.32235 0.1656 -0.1349 -0.1645
9135
91 -29.08020 0.0008 -0.0003 -0.4619
9136
92 -29.08020 -0.0007 0.0003 0.4619
9137
93 -29.07569 -0.0021 0.0015 0.1077
9138
94 -29.07569 0.0007 -0.0003 -0.1078
9139
95 -29.07495 0.0021 -0.0015 -0.0261
9140
96 -29.07495 -0.0006 0.0003 0.0261
9141
97 -29.06417 -0.0012 -0.0018 -0.2168
9142
98 -29.06417 0.0011 0.0020 0.2168
9143
99 -29.05159 -0.3065 0.2592 0.0001
9144
100 -29.05159 0.3066 -0.2593 -0.0001
9145
101 -29.04910 0.3061 -0.2576 0.0010
9146
102 -29.04909 -0.3061 0.2576 -0.0010
9147
103 -29.04705 0.3043 -0.2584 -0.0008
9148
104 -29.04705 -0.3043 0.2584 0.0008
9149
105 -29.03333 -0.3037 0.2567 0.0004
9150
106 -29.03333 0.3038 -0.2567 -0.0004
9151
107 -29.02457 0.0057 -0.0047 -0.1570
9152
108 -29.02457 0.0013 -0.0011 0.1570
9153
109 -29.02455 -0.0053 0.0044 0.1567
9154
110 -29.02455 -0.0018 0.0015 -0.1567
9155
111 -29.00455 -0.2992 0.2533 0.0005
9156
112 -29.00454 0.2992 -0.2533 -0.0005
9157
113 -29.00425 0.3078 -0.2605 -0.0005
9158
114 -29.00424 -0.3078 0.2605 0.0005
9159
115 -26.15001 0.0843 -0.0760 -0.0012
9160
116 -26.15001 -0.0843 0.0760 0.0012
9161
117 -26.13654 0.0930 -0.0682 0.0192
9162
118 -26.13654 -0.0925 0.0678 -0.0192
9163
119 -26.13444 -0.0893 0.0684 -0.0062
9164
120 -26.13444 0.0887 -0.0680 0.0062
9165
121 -26.10100 0.0444 -0.0227 0.0092
9166
122 -26.10100 -0.0441 0.0224 -0.0092
9167
123 -26.08895 0.0220 -0.0063 -0.5083
9168
124 -26.08895 -0.0224 0.0066 0.5084
9169
125 -26.08453 -0.0184 0.0147 0.5737
9170
126 -26.08453 0.0179 -0.0142 -0.5738
9171
127 -26.08420 0.0177 -0.0124 -0.5346
9172
128 -26.08420 -0.0159 0.0109 0.5349
9173
129 -26.08233 -0.1586 0.0891 0.0699
9174
130 -26.08232 0.1572 -0.0880 -0.0701
9175
131 -26.07528 0.2932 -0.2569 0.0135
9176
132 -26.07528 -0.2936 0.2572 -0.0135
9177
133 -26.07090 -0.2857 0.2596 -0.0266
9178
134 -26.07089 0.2862 -0.2600 0.0266
9179
135 -26.06389 0.1162 -0.1001 -0.1678
9180
136 -26.06388 -0.1182 0.1014 0.1718
9181
137 -26.06365 -0.0816 0.0773 0.1568
9182
138 -26.06364 0.0818 -0.0772 -0.1585
9183
139 -26.06319 -0.0426 0.0409 -0.3086
9184
140 -26.06319 0.0446 -0.0425 0.3062
9185
141 -26.04947 0.4042 -0.3496 -0.0007
9186
142 -26.04947 -0.4042 0.3496 0.0007
9187
143 -26.03387 0.0219 -0.0144 -0.4117
9188
144 -26.03387 -0.0182 0.0114 0.4118
9189
145 -26.03372 -0.0189 0.0119 0.4138
9190
146 -26.03372 0.0150 -0.0088 -0.4139
9191
147 -26.02147 -0.3584 0.3163 0.0031
9192
148 -26.02146 0.3586 -0.3164 -0.0031
9193
149 -26.02092 0.3936 -0.3451 -0.0025
9194
150 -26.02091 -0.3937 0.3451 0.0025
9195
151 -18.92799 -0.7609 0.6415 0.0976
9196
152 -18.92799 0.7609 -0.6415 -0.0976
9197
153 -18.85206 -0.7660 0.6428 0.0014
9198
154 -18.85206 0.7660 -0.6428 -0.0014
9199
155 -18.83205 0.7661 -0.6427 0.0028
9200
156 -18.83205 -0.7661 0.6427 -0.0028
9201
157 -18.27504 -0.7659 0.6429 0.0003
9202
158 -18.27504 0.7659 -0.6429 -0.0003
9203
159 -18.05890 -0.7659 0.6428 0.0007
9204
160 -18.05890 0.7659 -0.6428 -0.0007
9205
161 -17.86099 -0.7660 0.6427 0.0030
9206
162 -17.86099 0.7660 -0.6427 -0.0030
9207
163 -17.44162 -0.7659 0.6427 0.0004
9208
164 -17.44162 0.7659 -0.6427 -0.0004
9209
165 -17.19000 -0.7660 0.6426 0.0013
9210
166 -17.19000 0.7660 -0.6426 -0.0013
9211
167 -17.07076 -0.7658 0.6428 0.0008
9212
168 -17.07076 0.7658 -0.6428 -0.0008
9213
169 -14.82705 -0.7656 0.6431 -0.0017
9214
170 -14.82705 0.7656 -0.6431 0.0017
9215
171 -14.58359 0.7655 -0.6432 -0.0033
9216
172 -14.58359 -0.7655 0.6432 0.0033
9217
173 -14.39232 0.7659 -0.6427 -0.0003
9218
174 -14.39232 -0.7659 0.6427 0.0003
9219
175 -13.40698 -0.7672 0.6414 0.0043
9220
176 -13.40698 0.7672 -0.6414 -0.0043
9221
177 -13.20775 0.7668 -0.6419 -0.0003
9222
178 -13.20775 -0.7668 0.6419 0.0003
9223
179 -13.09397 0.7659 -0.6429 0.0017
9224
180 -13.09397 -0.7659 0.6429 -0.0017
9225
181 -7.66516 -0.7063 0.5165 0.1091
9226
182 -7.66516 0.7063 -0.5165 -0.1091
9227
183 -7.45082 -0.6364 0.5182 0.0178
9228
184 -7.45082 0.6364 -0.5182 -0.0178
9229
185 -7.25767 -0.4701 0.3946 -0.0004
9230
186 -7.25767 0.4701 -0.3946 0.0004
9231
187 -6.88535 -0.3821 0.3369 -0.0024
9232
188 -6.88535 0.3821 -0.3369 0.0024
9233
189 -6.84311 -0.1412 0.1217 -0.0039
9234
190 -6.84311 0.1412 -0.1217 0.0039
9235
191 -6.62526 0.3200 -0.2691 0.0020
9236
192 -6.62523 -0.3201 0.2691 -0.0020
9237
193 -6.59187 -0.2563 0.2158 -0.0051
9238
194 -6.59184 0.2564 -0.2158 0.0051
9239
195 -6.45859 0.2723 -0.1734 0.0640
9240
196 -6.45858 -0.2640 0.2033 -0.1095
9241
197 -6.45453 -0.0078 0.0384 -0.1993
9242
198 -6.45453 0.0100 -0.0401 0.2005
9243
199 -6.39877 0.0023 -0.0008 0.0412
9244
200 -6.39877 0.0021 -0.0029 -0.0412
9245
201 -6.39546 -0.0062 0.0144 -0.0024
9246
202 -6.39545 0.0067 -0.0148 0.0022
9247
203 -6.27942 0.2393 -0.2023 0.0018
9248
204 -6.27941 -0.2439 0.2058 -0.0016
9249
205 -6.23465 -0.2279 0.1928 0.0039
9250
206 -6.23465 0.2223 -0.1884 -0.0040
9251
207 -6.06768 -0.2612 0.2148 0.0073
9252
208 -6.06767 0.2644 -0.2176 -0.0073
9253
209 -5.98899 0.2255 -0.1874 -0.0377
9254
210 -5.98899 -0.2232 0.1855 0.0377
9255
211 -5.95364 -0.0096 -0.0036 0.6017
9256
212 -5.95364 0.0109 0.0025 -0.6016
9257
213 -5.89538 0.0039 -0.0010 0.6361
9258
214 -5.89538 -0.0044 0.0014 -0.6361
9259
215 -5.78436 0.1271 -0.1077 -0.0061
9260
216 -5.78436 -0.1271 0.1078 0.0061
9261
217 -5.68804 -0.0638 0.0528 -0.0010
9262
218 -5.68804 0.0633 -0.0523 0.0010
9263
219 -5.42691 0.6347 -0.5341 -0.0172
9264
220 -5.42686 -0.6148 0.5174 0.0164
9265
221 -5.40440 -0.0857 0.0730 0.0578
9266
222 -5.40437 0.0689 -0.0587 -0.0568
9267
223 -5.36653 -0.3250 0.2588 0.0815
9268
224 -5.36652 0.3203 -0.2549 -0.0815
9269
225 -5.34620 -0.0751 0.0572 -0.1147
9270
226 -5.34620 0.0761 -0.0580 0.1145
9271
227 -5.28001 0.0022 -0.0007 -0.6239
9272
228 -5.28001 -0.0018 0.0004 0.6239
9273
229 -5.25001 -0.0031 0.0005 -0.7348
9274
230 -5.25001 0.0028 -0.0003 0.7348
9275
231 -5.01420 -0.5170 0.4164 0.0102
9276
232 -5.01420 0.5177 -0.4168 -0.0102
9277
233 -4.82865 -0.4508 0.3802 -0.0008
9278
234 -4.82864 0.4362 -0.3679 0.0008
9279
235 -4.77471 0.4558 -0.3801 -0.0015
9280
236 -4.77470 -0.4397 0.3666 0.0014
9281
237 -4.38161 0.5232 -0.4381 -0.0023
9282
238 -4.38160 -0.5210 0.4361 0.0023
9283
239 -4.24213 0.3561 -0.2983 -0.0012
9284
240 -4.24213 -0.3548 0.2969 0.0012
9285
241 -3.99106 -0.2379 0.2000 0.0008
9286
242 -3.99106 0.2395 -0.2014 -0.0008
9287
243 -3.84188 -0.2190 0.1855 0.0058
9288
244 -3.84188 0.2209 -0.1873 -0.0058
9289
245 -3.75712 0.2150 -0.1807 -0.0032
9290
246 -3.75712 -0.2117 0.1775 0.0032
9291
247 -2.98053 0.3615 -0.3027 -0.0006
9292
248 -2.98053 -0.3644 0.3052 0.0006
9293
249 -2.79739 0.3590 -0.3054 -0.0032
9294
250 -2.79739 -0.3609 0.3072 0.0033
9295
251 -2.59645 0.3863 -0.3228 0.0004
9296
252 -2.59644 -0.3874 0.3240 -0.0004
9297
253 -2.17608 -0.0002 -0.0003 0.5258
9298
254 -2.17608 0.0015 -0.0008 -0.5258
9299
255 -2.03659 0.0017 -0.0012 -0.4067
9300
256 -2.03659 -0.0001 -0.0002 0.4067
9301
257 -1.92635 0.0012 -0.0006 -0.4601
9302
258 -1.92635 0.0005 -0.0008 0.4601
9303
259 -1.32853 0.4589 -0.3649 0.0036
9304
260 -1.32853 -0.4612 0.3668 -0.0036
9305
261 -1.16533 -0.4410 0.3644 0.0106
9306
262 -1.16533 0.4395 -0.3631 -0.0106
9307
263 -1.07996 0.0062 -0.0088 -0.0436
9308
264 -1.07996 -0.0066 0.0091 0.0437
9309
265 -1.00856 -0.4481 0.3666 0.0135
9310
266 -1.00856 0.4467 -0.3652 -0.0135
9311
267 -0.96021 0.0185 -0.0038 -0.3011
9312
268 -0.96021 -0.0190 0.0043 0.3011
9313
269 -0.89542 0.0024 -0.0008 0.4769
9314
270 -0.89542 -0.0022 0.0006 -0.4768
9315
271 5.79077 -0.8407 0.7052 0.0000
9316
272 5.79077 0.8414 -0.7057 -0.0000
9317
273 6.10218 -0.8119 0.6817 0.0000
9318
274 6.10218 0.8127 -0.6823 -0.0000
9319
275 6.29161 -0.8827 0.7428 0.0077
9320
276 6.29161 0.8836 -0.7434 -0.0077
9321
277 6.93488 -1.1183 0.9381 0.0090
9322
278 6.93488 1.1167 -0.9367 -0.0090
9323
279 7.01688 -1.1771 0.9853 0.0035
9324
280 7.01688 1.1754 -0.9839 -0.0035
9325
281 7.22958 -0.9809 0.8238 -0.0003
9326
282 7.22958 0.9808 -0.8237 0.0003
9327
283 7.49591 0.9608 -0.8048 -0.0024
9328
284 7.49591 -0.9592 0.8035 0.0024
9329
285 7.62586 1.0159 -0.8535 -0.0162
9330
286 7.62586 -1.0145 0.8523 0.0162
9331
287 8.17015 -1.2863 1.0792 -0.0095
9332
288 8.17016 1.2853 -1.0784 0.0095
9333
289 9.13983 -1.0566 0.8877 0.0483
9334
290 9.13984 1.0538 -0.8854 -0.0483
9335
291 9.39341 0.0980 -0.0813 -0.0792
9336
292 9.39344 -0.0971 0.0807 0.0790
9337
293 9.53547 0.0296 -0.0084 1.1079
9338
294 9.53547 -0.0297 0.0084 -1.1076
9339
295 9.68209 -1.0496 0.8790 0.1391
9340
296 9.68209 1.0461 -0.8761 -0.1391
9341
297 9.82357 0.0122 -0.0102 0.0566
9342
298 9.82357 -0.0108 0.0091 -0.0566
9343
299 10.01971 -0.0078 -0.0013 -1.0883
9344
300 10.01971 0.0080 0.0012 1.0881
9345
301 10.37764 0.7564 -0.6340 -0.0117
9346
302 10.37767 -0.7594 0.6366 0.0117
9347
303 10.51259 0.4748 -0.4031 0.2399
9348
304 10.51261 -0.4743 0.4028 -0.2393
9349
305 10.64116 -0.8616 0.7220 -0.2043
9350
306 10.64118 0.8606 -0.7212 0.2037
9351
307 11.53331 0.8930 -0.7491 0.0436
9352
308 11.53333 -0.8900 0.7467 -0.0436
9353
309 11.81246 0.4534 -0.3803 0.1041
9354
310 11.81247 -0.4543 0.3810 -0.1040
9355
311 12.14115 -0.6473 0.5429 -0.0621
9356
312 12.14120 0.6458 -0.5416 0.0619
9357
313 12.89873 0.0376 -0.0338 0.0069
9358
314 12.89874 -0.0304 0.0279 -0.0066
9359
315 13.11164 -0.0468 -0.0345 -0.8007
9360
316 13.11164 0.0440 0.0368 0.8005
9361
317 13.46324 0.0155 -0.0130 0.0375
9362
318 13.46324 -0.0148 0.0127 -0.0375
9363
319 14.20760 0.0237 -0.0172 -0.2871
9364
320 14.20760 -0.0235 0.0170 0.2870
9365
321 14.71849 -0.0089 0.0101 -0.2801
9366
322 14.71849 0.0099 -0.0110 0.2801
9367
323 14.81632 -0.0863 0.0730 -0.0120
9368
324 14.81636 0.0848 -0.0718 0.0120
9369
325 14.96785 0.1415 -0.1211 -0.0642
9370
326 14.96789 -0.1401 0.1199 0.0644
9371
327 15.05355 -0.4410 0.3798 0.0690
9372
328 15.05357 0.4445 -0.3827 -0.0689
9373
329 15.19601 -0.2302 0.2344 -0.6426
9374
330 15.19604 0.2194 -0.2258 0.6423
9375
331 15.19864 0.0075 -0.0110 0.6632
9376
332 15.19866 0.0045 0.0014 -0.6631
9377
333 15.31947 0.0186 -0.0154 -0.1173
9378
334 15.31948 -0.0194 0.0161 0.1173
9379
335 15.82480 -0.0041 0.0007 0.5853
9380
336 15.82480 0.0041 -0.0007 -0.5853
9381
337 16.24874 0.7547 -0.6358 -0.0050
9382
338 16.24875 -0.7580 0.6387 0.0050
9383
339 16.62884 0.5119 -0.4290 0.0043
9384
340 16.62884 -0.5152 0.4321 -0.0043
9385
341 17.18374 -0.2600 0.2169 0.0091
9386
342 17.18374 0.2612 -0.2180 -0.0092
9387
343 17.55407 0.0066 -0.0019 -0.8474
9388
344 17.55407 -0.0037 -0.0005 0.8474
9389
345 17.75057 -0.9229 0.7506 -0.0278
9390
346 17.75058 0.9193 -0.7475 0.0277
9391
347 18.23478 -0.1542 0.1310 0.1170
9392
348 18.23478 0.1541 -0.1311 -0.1170
9393
349 18.53849 0.0028 -0.0036 -0.8192
9394
350 18.53850 -0.0019 0.0029 0.8192
9395
351 18.76555 0.0009 -0.0003 0.9480
9396
352 18.76555 -0.0008 0.0002 -0.9482
9397
353 19.21118 -0.0111 0.0115 -0.7415
9398
354 19.21119 -0.0148 0.0102 0.7414
9399
355 19.24866 -0.0173 0.0194 -0.0913
9400
356 19.24866 0.0449 -0.0427 0.0915
9401
357 19.44127 0.0133 -0.0129 -0.0215
9402
358 19.44127 -0.0134 0.0129 0.0216
9403
359 19.75416 -0.0051 -0.0016 -1.1305
9404
360 19.75416 0.0046 0.0020 1.1304
9405
361 20.20255 0.0005 0.0003 -0.5927
9406
362 20.20255 -0.0009 0.0000 0.5927
9407
363 20.51025 0.0092 -0.0084 1.1266
9408
364 20.51025 -0.0097 0.0086 -1.1266
9409
365 21.07647 0.0060 -0.0003 -0.5514
9410
366 21.07647 -0.0062 0.0005 0.5514
9411
367 21.26308 -0.5998 0.4992 -0.0199
9412
368 21.26309 0.5989 -0.4985 0.0199
9413
369 21.33945 0.5693 -0.4772 0.0071
9414
370 21.33946 -0.5682 0.4764 -0.0071
9415
371 21.78861 0.6031 -0.5057 0.0001
9416
372 21.78861 -0.6029 0.5055 -0.0001
9417
373 25.90995 -0.9404 0.7887 -0.0026
9418
374 25.90995 0.9402 -0.7885 0.0026
9419
375 27.95818 0.8917 -0.7452 -0.0044
9420
376 27.95818 -0.8914 0.7449 0.0044
9421
377 31.13796 -0.8886 0.7460 -0.0000
9422
378 31.13796 0.8890 -0.7463 0.0000
9423
379 39.40581 0.5349 -0.4487 0.0003
9424
380 39.40581 -0.5346 0.4485 -0.0003
9425
381 42.22538 -0.6502 0.5436 -0.0060
9426
382 42.22538 0.6503 -0.5436 0.0060
9427
383 46.54510 0.6898 -0.5786 0.0035
9428
384 46.54510 -0.6899 0.5787 -0.0035
9429
385 50.27645 -0.6674 0.5599 -0.0074
9430
386 50.27645 0.6674 -0.5599 0.0074
9431
387 52.16722 -0.6240 0.5230 -0.0023
9432
388 52.16722 0.6240 -0.5230 0.0023
9433
389 53.96639 -0.5984 0.5021 -0.0274
9434
390 53.96639 0.5984 -0.5021 0.0274
9435
9436
k-point 25 ( -0.002411 -0.004175 0.000000 ) (Bohr^-1)
9437
ie e(eV) Sx Sy Sz
9438
1 -51.72595 -0.2015 0.1164 -0.1185
9439
2 -51.72595 0.2014 -0.1163 0.1185
9440
3 -51.67056 0.3173 -0.1832 0.0302
9441
4 -51.67053 -0.3144 0.1815 -0.0312
9442
5 -51.66991 -0.3416 0.1972 0.0121
9443
6 -51.66985 0.3417 -0.1973 -0.0119
9444
7 -51.66906 -0.2084 0.1203 0.0824
9445
8 -51.66888 0.2254 -0.1301 -0.1059
9446
9 -51.66714 0.0398 -0.0230 0.2765
9447
10 -51.66702 -0.0590 0.0341 -0.2545
9448
11 -51.66347 0.2795 -0.1614 0.0068
9449
12 -51.66337 -0.2788 0.1610 -0.0050
9450
13 -51.65083 0.0458 -0.0265 0.4349
9451
14 -51.65080 -0.0488 0.0282 -0.4340
9452
15 -51.62123 -0.0291 0.0168 -0.3766
9453
16 -51.62122 0.0307 -0.0177 0.3763
9454
17 -51.61745 0.1051 -0.0607 -0.0858
9455
18 -51.61731 -0.1054 0.0608 0.0826
9456
19 -51.61431 0.3931 -0.2269 0.1045
9457
20 -51.61414 -0.3979 0.2297 -0.1001
9458
21 -51.61141 0.2207 -0.1274 -0.1268
9459
22 -51.61138 -0.2264 0.1307 0.1288
9460
23 -51.60396 -0.0268 0.0155 -0.3346
9461
24 -51.60393 0.0332 -0.0191 0.3326
9462
25 -51.60083 -0.0293 0.0169 -0.3474
9463
26 -51.60079 0.0351 -0.0203 0.3463
9464
27 -51.58233 0.0532 -0.0307 0.1203
9465
28 -51.58232 -0.0546 0.0315 -0.1203
9466
29 -51.26116 0.2265 -0.1308 -0.0363
9467
30 -51.26099 -0.2385 0.1377 0.0425
9468
31 -51.25337 -0.0852 0.0492 -0.4450
9469
32 -51.25327 0.0970 -0.0560 0.4387
9470
33 -51.25219 -0.3136 0.1810 0.0288
9471
34 -51.25208 0.3170 -0.1830 -0.0292
9472
35 -51.22185 0.0319 -0.0184 0.3923
9473
36 -51.22182 -0.0351 0.0203 -0.3919
9474
37 -50.84149 0.4156 -0.2400 -0.0109
9475
38 -50.84149 -0.4156 0.2400 0.0109
9476
39 -50.80217 0.1661 -0.0959 -0.2547
9477
40 -50.80215 -0.1652 0.0954 0.2551
9478
41 -50.78400 -0.3457 0.1996 0.0774
9479
42 -50.78393 0.3284 -0.1896 -0.0917
9480
43 -50.78354 0.3534 -0.2041 -0.0686
9481
44 -50.78347 -0.3209 0.1853 0.1033
9482
45 -50.78294 0.0189 -0.0109 -0.3704
9483
46 -50.78292 -0.0362 0.0209 0.3484
9484
47 -50.77955 0.0304 -0.0175 0.1683
9485
48 -50.77943 -0.0362 0.0209 -0.1669
9486
49 -50.76957 0.6517 -0.3763 -0.1050
9487
50 -50.76935 -0.6555 0.3784 0.0974
9488
51 -50.76475 -0.1510 0.0872 0.2352
9489
52 -50.76460 0.1587 -0.0916 -0.2286
9490
53 -50.75073 -0.4509 0.2603 0.0332
9491
54 -50.75051 0.4529 -0.2615 -0.0260
9492
55 -50.74879 0.0288 -0.0167 -0.4749
9493
56 -50.74875 -0.0063 0.0037 0.4896
9494
57 -50.74856 0.1156 -0.0668 0.2306
9495
58 -50.74850 -0.1485 0.0857 -0.2437
9496
59 -50.74817 0.2709 -0.1564 -0.0693
9497
60 -50.74814 -0.2564 0.1480 0.0622
9498
61 -50.73809 -0.0128 0.0074 0.4927
9499
62 -50.73808 0.0117 -0.0068 -0.4918
9500
63 -50.73672 -0.0960 0.0554 0.1432
9501
64 -50.73667 0.0946 -0.0546 -0.1463
9502
65 -50.71705 -0.2079 0.1200 -0.3463
9503
66 -50.71696 0.2097 -0.1211 0.3526
9504
67 -50.71108 0.4904 -0.2831 0.1688
9505
68 -50.71101 -0.4897 0.2827 -0.1726
9506
69 -50.70752 0.0683 -0.0395 -0.4180
9507
70 -50.70748 -0.0706 0.0407 0.4178
9508
71 -50.69744 -0.0309 0.0178 0.9227
9509
72 -50.69740 0.0341 -0.0197 -0.9255
9510
73 -50.69359 0.0907 -0.0523 -0.3683
9511
74 -50.69353 -0.0946 0.0546 0.3673
9512
75 -50.69157 -0.4079 0.2355 -0.2293
9513
76 -50.69153 0.4069 -0.2349 0.2321
9514
77 -50.67064 -0.0625 0.0361 0.5719
9515
78 -50.67063 0.0632 -0.0365 -0.5716
9516
79 -50.37978 -0.3910 0.2257 0.0173
9517
80 -50.37966 0.3919 -0.2263 -0.0172
9518
81 -50.36792 0.1273 -0.0735 0.0470
9519
82 -50.36783 -0.1197 0.0691 -0.0480
9520
83 -50.36315 0.3136 -0.1810 -0.0587
9521
84 -50.36303 -0.3139 0.1812 0.0598
9522
85 -50.34546 -0.3469 0.2003 -0.0489
9523
86 -50.34532 0.3398 -0.1962 0.0466
9524
87 -50.34024 0.0449 -0.0259 0.1444
9525
88 -50.34013 -0.0533 0.0308 -0.1435
9526
89 -50.32250 -0.1772 0.1023 0.1680
9527
90 -50.32235 0.1845 -0.1065 -0.1668
9528
91 -29.08020 0.0007 -0.0004 -0.4794
9529
92 -29.08020 -0.0007 0.0003 0.4794
9530
93 -29.07569 -0.0022 0.0013 0.1090
9531
94 -29.07569 0.0007 -0.0004 -0.1091
9532
95 -29.07495 0.0022 -0.0013 -0.0265
9533
96 -29.07495 -0.0006 0.0003 0.0266
9534
97 -29.06417 -0.0010 -0.0019 -0.2611
9535
98 -29.06417 0.0008 0.0020 0.2611
9536
99 -29.05159 -0.3472 0.2013 0.0000
9537
100 -29.05159 0.3473 -0.2013 -0.0000
9538
101 -29.04910 0.3464 -0.1999 0.0011
9539
102 -29.04909 -0.3465 0.1999 -0.0011
9540
103 -29.04705 0.3461 -0.1987 -0.0010
9541
104 -29.04705 -0.3461 0.1987 0.0010
9542
105 -29.03333 -0.3444 0.1987 0.0005
9543
106 -29.03333 0.3444 -0.1987 -0.0005
9544
107 -29.02457 0.0064 -0.0037 -0.1547
9545
108 -29.02457 0.0015 -0.0009 0.1547
9546
109 -29.02455 -0.0060 0.0034 0.1545
9547
110 -29.02455 -0.0020 0.0011 -0.1545
9548
111 -29.00455 -0.3394 0.1959 0.0005
9549
112 -29.00454 0.3394 -0.1959 -0.0005
9550
113 -29.00425 0.3491 -0.2015 -0.0005
9551
114 -29.00424 -0.3491 0.2015 0.0005
9552
115 -26.15001 0.0985 -0.0567 0.0003
9553
116 -26.15001 -0.0985 0.0567 -0.0003
9554
117 -26.13654 0.1000 -0.0576 0.0144
9555
118 -26.13654 -0.0994 0.0573 -0.0144
9556
119 -26.13444 -0.0974 0.0563 -0.0033
9557
120 -26.13444 0.0968 -0.0560 0.0033
9558
121 -26.10100 0.0428 -0.0256 0.0021
9559
122 -26.10100 -0.0424 0.0254 -0.0021
9560
123 -26.08895 0.0201 -0.0108 -0.5194
9561
124 -26.08895 -0.0206 0.0111 0.5194
9562
125 -26.08453 -0.0202 0.0120 0.5794
9563
126 -26.08453 0.0196 -0.0117 -0.5794
9564
127 -26.08420 0.0187 -0.0107 -0.5336
9565
128 -26.08420 -0.0166 0.0095 0.5339
9566
129 -26.08233 -0.1577 0.0904 0.0699
9567
130 -26.08232 0.1561 -0.0895 -0.0702
9568
131 -26.07528 0.3363 -0.1945 0.0137
9569
132 -26.07528 -0.3367 0.1947 -0.0137
9570
133 -26.07090 -0.3333 0.1924 -0.0273
9571
134 -26.07089 0.3339 -0.1927 0.0272
9572
135 -26.06389 0.1331 -0.0769 -0.1706
9573
136 -26.06388 -0.1352 0.0781 0.1749
9574
137 -26.06365 -0.0962 0.0554 0.1497
9575
138 -26.06364 0.0963 -0.0554 -0.1513
9576
139 -26.06319 -0.0492 0.0286 -0.3252
9577
140 -26.06319 0.0514 -0.0299 0.3225
9578
141 -26.04947 0.4615 -0.2673 -0.0007
9579
142 -26.04947 -0.4616 0.2673 0.0007
9580
143 -26.03387 0.0228 -0.0132 -0.4124
9581
144 -26.03387 -0.0187 0.0108 0.4125
9582
145 -26.03372 -0.0194 0.0112 0.4146
9583
146 -26.03372 0.0151 -0.0087 -0.4147
9584
147 -26.02147 -0.4128 0.2384 0.0032
9585
148 -26.02146 0.4130 -0.2384 -0.0032
9586
149 -26.02092 0.4523 -0.2611 -0.0025
9587
150 -26.02091 -0.4524 0.2612 0.0025
9588
151 -18.92799 -0.8615 0.4981 0.0988
9589
152 -18.92799 0.8615 -0.4981 -0.0988
9590
153 -18.85206 -0.8660 0.5000 0.0012
9591
154 -18.85206 0.8660 -0.5000 -0.0012
9592
155 -18.83205 0.8660 -0.5000 0.0029
9593
156 -18.83205 -0.8660 0.5000 -0.0029
9594
157 -18.27504 -0.8659 0.5000 0.0003
9595
158 -18.27504 0.8659 -0.5000 -0.0003
9596
159 -18.05890 -0.8659 0.5000 0.0007
9597
160 -18.05890 0.8659 -0.5000 -0.0007
9598
161 -17.86099 -0.8660 0.4999 0.0031
9599
162 -17.86099 0.8660 -0.4999 -0.0031
9600
163 -17.44162 -0.8659 0.4999 0.0005
9601
164 -17.44162 0.8659 -0.4999 -0.0005
9602
165 -17.19000 -0.8659 0.4999 0.0013
9603
166 -17.19000 0.8659 -0.4999 -0.0013
9604
167 -17.07076 -0.8658 0.4999 0.0008
9605
168 -17.07076 0.8658 -0.4999 -0.0008
9606
169 -14.82705 -0.8658 0.5001 -0.0018
9607
170 -14.82705 0.8658 -0.5001 0.0018
9608
171 -14.58359 0.8665 -0.4989 -0.0034
9609
172 -14.58359 -0.8665 0.4989 0.0034
9610
173 -14.39232 0.8659 -0.4999 -0.0003
9611
174 -14.39232 -0.8659 0.4999 0.0003
9612
175 -13.40698 -0.8662 0.4997 0.0046
9613
176 -13.40698 0.8662 -0.4997 -0.0046
9614
177 -13.20775 0.8660 -0.5000 -0.0004
9615
178 -13.20775 -0.8660 0.5000 0.0004
9616
179 -13.09397 0.8660 -0.5000 0.0017
9617
180 -13.09397 -0.8660 0.5000 -0.0017
9618
181 -7.66516 -0.7582 0.4366 0.1098
9619
182 -7.66516 0.7582 -0.4366 -0.1098
9620
183 -7.45082 -0.7107 0.4103 0.0190
9621
184 -7.45082 0.7107 -0.4103 -0.0190
9622
185 -7.25767 -0.5315 0.3069 -0.0005
9623
186 -7.25767 0.5315 -0.3069 0.0005
9624
187 -6.88535 -0.4410 0.2549 -0.0028
9625
188 -6.88535 0.4410 -0.2549 0.0028
9626
189 -6.84311 -0.1614 0.0932 -0.0041
9627
190 -6.84311 0.1614 -0.0932 0.0041
9628
191 -6.62526 0.3621 -0.2090 0.0024
9629
192 -6.62523 -0.3621 0.2091 -0.0024
9630
193 -6.59187 -0.2901 0.1675 -0.0059
9631
194 -6.59184 0.2901 -0.1675 0.0059
9632
195 -6.45859 0.2877 -0.1661 0.0721
9633
196 -6.45858 -0.2845 0.1642 -0.1219
9634
197 -6.45453 -0.0132 0.0076 -0.2119
9635
198 -6.45453 0.0156 -0.0090 0.2132
9636
199 -6.39876 0.0013 -0.0007 0.0385
9637
200 -6.39875 0.0037 -0.0021 -0.0385
9638
201 -6.39548 -0.0086 0.0050 -0.0013
9639
202 -6.39547 0.0091 -0.0053 0.0011
9640
203 -6.27942 0.2712 -0.1567 0.0030
9641
204 -6.27941 -0.2764 0.1594 -0.0029
9642
205 -6.23465 -0.2583 0.1491 0.0058
9643
206 -6.23465 0.2520 -0.1457 -0.0058
9644
207 -6.06768 -0.2928 0.1689 0.0081
9645
208 -6.06767 0.2964 -0.1711 -0.0082
9646
209 -5.98899 0.2540 -0.1465 -0.0349
9647
210 -5.98899 -0.2514 0.1450 0.0348
9648
211 -5.95364 -0.0074 0.0043 0.6081
9649
212 -5.95364 0.0088 -0.0051 -0.6080
9650
213 -5.89538 0.0035 -0.0020 0.6399
9651
214 -5.89538 -0.0041 0.0024 -0.6399
9652
215 -5.78436 0.1443 -0.0832 -0.0057
9653
216 -5.78436 -0.1443 0.0833 0.0057
9654
217 -5.68804 -0.0717 0.0415 -0.0012
9655
218 -5.68804 0.0711 -0.0410 0.0012
9656
219 -5.42690 0.7184 -0.4148 -0.0198
9657
220 -5.42686 -0.6958 0.4017 0.0189
9658
221 -5.40440 -0.0972 0.0562 0.0668
9659
222 -5.40437 0.0782 -0.0450 -0.0657
9660
223 -5.36653 -0.3594 0.2075 0.0938
9661
224 -5.36652 0.3541 -0.2045 -0.0937
9662
225 -5.34620 -0.0820 0.0474 -0.1310
9663
226 -5.34619 0.0831 -0.0480 0.1307
9664
227 -5.28001 0.0020 -0.0012 -0.6268
9665
228 -5.28001 -0.0016 0.0009 0.6268
9666
229 -5.25001 -0.0027 0.0016 -0.7549
9667
230 -5.25001 0.0025 -0.0014 0.7549
9668
231 -5.01420 -0.5749 0.3318 0.0103
9669
232 -5.01420 0.5757 -0.3321 -0.0103
9670
233 -4.82865 -0.5107 0.2949 -0.0008
9671
234 -4.82864 0.4942 -0.2853 0.0008
9672
235 -4.77471 0.5140 -0.2967 -0.0015
9673
236 -4.77470 -0.4958 0.2862 0.0015
9674
237 -4.38161 0.5910 -0.3412 -0.0025
9675
238 -4.38160 -0.5884 0.3397 0.0025
9676
239 -4.24213 0.4022 -0.2323 -0.0013
9677
240 -4.24213 -0.4007 0.2312 0.0013
9678
241 -3.99106 -0.2692 0.1554 0.0008
9679
242 -3.99106 0.2710 -0.1564 -0.0008
9680
243 -3.84188 -0.2487 0.1434 0.0058
9681
244 -3.84188 0.2508 -0.1448 -0.0059
9682
245 -3.75712 0.2431 -0.1405 -0.0032
9683
246 -3.75712 -0.2393 0.1380 0.0032
9684
247 -2.98053 0.4084 -0.2357 -0.0007
9685
248 -2.98053 -0.4117 0.2376 0.0007
9686
249 -2.79739 0.4083 -0.2356 -0.0034
9687
250 -2.79739 -0.4104 0.2370 0.0034
9688
251 -2.59645 0.4360 -0.2517 0.0004
9689
252 -2.59644 -0.4373 0.2526 -0.0004
9690
253 -2.17608 -0.0000 0.0001 0.5278
9691
254 -2.17608 0.0015 -0.0009 -0.5279
9692
255 -2.03659 0.0018 -0.0010 -0.4122
9693
256 -2.03659 0.0001 -0.0000 0.4122
9694
257 -1.92635 0.0013 -0.0006 -0.4162
9695
258 -1.92635 0.0006 -0.0005 0.4162
9696
259 -1.32853 0.5069 -0.2948 0.0025
9697
260 -1.32853 -0.5095 0.2963 -0.0024
9698
261 -1.16533 -0.4954 0.2861 0.0126
9699
262 -1.16533 0.4937 -0.2851 -0.0126
9700
263 -1.07996 0.0093 -0.0055 -0.2086
9701
264 -1.07996 -0.0096 0.0057 0.2087
9702
265 -1.00856 -0.5012 0.2897 0.0161
9703
266 -1.00856 0.4995 -0.2887 -0.0162
9704
267 -0.96021 0.0159 -0.0095 -0.2691
9705
268 -0.96021 -0.0166 0.0099 0.2691
9706
269 -0.89542 0.0022 -0.0013 0.4518
9707
270 -0.89542 -0.0019 0.0012 -0.4518
9708
271 5.79077 -0.9503 0.5486 0.0001
9709
272 5.79077 0.9511 -0.5490 -0.0001
9710
273 6.10218 -0.9181 0.5301 0.0001
9711
274 6.10218 0.9190 -0.5305 -0.0001
9712
275 6.29161 -0.9990 0.5770 0.0075
9713
276 6.29161 1.0000 -0.5775 -0.0075
9714
277 6.93488 -1.2641 0.7298 0.0105
9715
278 6.93488 1.2622 -0.7287 -0.0105
9716
279 7.01688 -1.3295 0.7672 0.0043
9717
280 7.01688 1.3277 -0.7661 -0.0043
9718
281 7.22958 -1.1093 0.6405 -0.0004
9719
282 7.22958 1.1091 -0.6405 0.0004
9720
283 7.49591 1.0854 -0.6266 -0.0035
9721
284 7.49591 -1.0837 0.6256 0.0035
9722
285 7.62586 1.1490 -0.6635 -0.0180
9723
286 7.62586 -1.1474 0.6626 0.0180
9724
287 8.17015 -1.4542 0.8396 -0.0111
9725
288 8.17016 1.4530 -0.8389 0.0111
9726
289 9.13983 -1.1949 0.6899 0.0561
9727
290 9.13984 1.1917 -0.6881 -0.0561
9728
291 9.39341 0.1107 -0.0639 -0.0914
9729
292 9.39343 -0.1096 0.0634 0.0912
9730
293 9.53547 0.0266 -0.0154 1.1114
9731
294 9.53547 -0.0267 0.0154 -1.1111
9732
295 9.68209 -1.1835 0.6832 0.1629
9733
296 9.68209 1.1795 -0.6809 -0.1629
9734
297 9.82357 0.0139 -0.0081 0.0662
9735
298 9.82357 -0.0123 0.0072 -0.0662
9736
299 10.01971 -0.0065 0.0038 -1.0927
9737
300 10.01971 0.0067 -0.0039 1.0926
9738
301 10.37762 0.8549 -0.4936 -0.0134
9739
302 10.37765 -0.8584 0.4956 0.0134
9740
303 10.51263 0.5344 -0.3086 0.2764
9741
304 10.51265 -0.5339 0.3083 -0.2758
9742
305 10.64114 -0.9686 0.5590 -0.2355
9743
306 10.64116 0.9674 -0.5584 0.2349
9744
307 11.53331 1.0093 -0.5826 0.0503
9745
308 11.53333 -1.0059 0.5808 -0.0502
9746
309 11.81245 0.5118 -0.2953 0.1184
9747
310 11.81246 -0.5128 0.2959 -0.1183
9748
311 12.14117 -0.7314 0.4225 -0.0709
9749
312 12.14121 0.7297 -0.4215 0.0706
9750
313 12.89873 0.0427 -0.0244 0.0093
9751
314 12.89874 -0.0345 0.0199 -0.0090
9752
315 13.11164 -0.0324 0.0149 -0.9391
9753
316 13.11164 0.0293 -0.0131 0.9389
9754
317 13.46324 0.0176 -0.0101 0.0388
9755
318 13.46324 -0.0168 0.0098 -0.0388
9756
319 14.20760 0.0254 -0.0145 -0.2877
9757
320 14.20760 -0.0252 0.0144 0.2877
9758
321 14.71849 -0.0112 0.0066 -0.2751
9759
322 14.71849 0.0124 -0.0073 0.2751
9760
323 14.81632 -0.0978 0.0564 -0.0142
9761
324 14.81636 0.0962 -0.0554 0.0141
9762
325 14.96784 0.1611 -0.0930 -0.0742
9763
326 14.96789 -0.1596 0.0921 0.0744
9764
327 15.05355 -0.5015 0.2886 0.0793
9765
328 15.05357 0.5054 -0.2908 -0.0792
9766
329 15.19602 -0.2792 0.1611 -0.7558
9767
330 15.19605 0.2671 -0.1542 0.7554
9768
331 15.19863 0.0087 -0.0050 0.7871
9769
332 15.19866 0.0047 -0.0027 -0.7870
9770
333 15.31947 0.0209 -0.0121 -0.1298
9771
334 15.31948 -0.0219 0.0127 0.1298
9772
335 15.82480 -0.0037 0.0022 0.5678
9773
336 15.82480 0.0037 -0.0022 -0.5679
9774
337 16.24874 0.8546 -0.4934 -0.0052
9775
338 16.24875 -0.8584 0.4957 0.0052
9776
339 16.62884 0.5784 -0.3340 0.0055
9777
340 16.62884 -0.5822 0.3363 -0.0055
9778
341 17.18374 -0.2934 0.1691 0.0083
9779
342 17.18374 0.2948 -0.1700 -0.0083
9780
343 17.55407 0.0064 -0.0035 -0.8428
9781
344 17.55407 -0.0031 0.0016 0.8428
9782
345 17.75057 -1.0319 0.5919 -0.0257
9783
346 17.75058 1.0279 -0.5894 0.0256
9784
347 18.23478 -0.1752 0.1012 0.1128
9785
348 18.23478 0.1751 -0.1013 -0.1128
9786
349 18.53849 0.0032 -0.0018 -0.8158
9787
350 18.53850 -0.0022 0.0012 0.8159
9788
351 18.76555 0.0008 -0.0005 0.9480
9789
352 18.76555 -0.0007 0.0004 -0.9481
9790
353 19.21118 -0.0133 0.0078 -0.7538
9791
354 19.21119 -0.0160 0.0091 0.7537
9792
355 19.24866 -0.0227 0.0124 -0.0782
9793
356 19.24866 0.0539 -0.0305 0.0784
9794
357 19.44127 0.0157 -0.0091 -0.0276
9795
358 19.44127 -0.0158 0.0091 0.0277
9796
359 19.75416 -0.0047 0.0027 -1.1911
9797
360 19.75416 0.0041 -0.0024 1.1910
9798
361 20.20255 0.0003 -0.0002 -0.5980
9799
362 20.20255 -0.0008 0.0004 0.5980
9800
363 20.51025 0.0104 -0.0061 1.1469
9801
364 20.51025 -0.0109 0.0063 -1.1469
9802
365 21.07647 0.0057 -0.0033 -0.5277
9803
366 21.07647 -0.0060 0.0034 0.5276
9804
367 21.26308 -0.6758 0.3900 -0.0230
9805
368 21.26309 0.6749 -0.3895 0.0229
9806
369 21.33945 0.6433 -0.3715 0.0086
9807
370 21.33946 -0.6420 0.3708 -0.0086
9808
371 21.78861 0.6816 -0.3935 0.0001
9809
372 21.78861 -0.6814 0.3933 -0.0001
9810
373 25.90995 -1.0629 0.6137 -0.0020
9811
374 25.90995 1.0627 -0.6135 0.0020
9812
375 27.95818 1.0065 -0.5810 -0.0047
9813
376 27.95818 -1.0061 0.5808 0.0047
9814
377 31.13796 -1.0048 0.5802 -0.0001
9815
378 31.13796 1.0052 -0.5804 0.0001
9816
379 39.40581 0.6047 -0.3490 0.0003
9817
380 39.40581 -0.6044 0.3489 -0.0003
9818
381 42.22538 -0.7340 0.4237 -0.0057
9819
382 42.22538 0.7341 -0.4238 0.0057
9820
383 46.54510 0.7797 -0.4502 0.0038
9821
384 46.54510 -0.7798 0.4502 -0.0038
9822
385 50.27645 -0.7544 0.4356 -0.0085
9823
386 50.27645 0.7545 -0.4356 0.0085
9824
387 52.16722 -0.7051 0.4070 -0.0029
9825
388 52.16722 0.7051 -0.4071 0.0029
9826
389 53.96639 -0.6763 0.3905 -0.0312
9827
390 53.96639 0.6764 -0.3905 0.0312
9828
9829
k-point 26 ( -0.001649 -0.004530 0.000000 ) (Bohr^-1)
9830
ie e(eV) Sx Sy Sz
9831
1 -51.72595 -0.2935 -0.1236 -0.0980
9832
2 -51.72595 0.2934 0.1236 0.0980
9833
3 -51.67056 0.3431 -0.1326 0.0299
9834
4 -51.67053 -0.3403 0.1309 -0.0309
9835
5 -51.66991 -0.3724 0.1338 0.0119
9836
6 -51.66985 0.3726 -0.1337 -0.0118
9837
7 -51.66906 -0.2061 0.1243 0.0827
9838
8 -51.66888 0.2227 -0.1343 -0.1058
9839
9 -51.66714 0.0398 -0.0226 0.2748
9840
10 -51.66702 -0.0585 0.0340 -0.2531
9841
11 -51.66347 0.3109 -0.0957 0.0068
9842
12 -51.66337 -0.3102 0.0953 -0.0050
9843
13 -51.65083 0.0471 -0.0236 0.4341
9844
14 -51.65080 -0.0503 0.0248 -0.4333
9845
15 -51.62123 -0.0292 0.0163 -0.3775
9846
16 -51.62122 0.0309 -0.0169 0.3771
9847
17 -51.61745 0.1458 0.0127 -0.0847
9848
18 -51.61731 -0.1464 -0.0133 0.0816
9849
19 -51.61431 0.3981 -0.2073 0.1032
9850
20 -51.61414 -0.4028 0.2100 -0.0989
9851
21 -51.61141 0.1822 -0.1862 -0.1250
9852
22 -51.61138 -0.1882 0.1889 0.1270
9853
23 -51.60396 -0.0262 0.0153 -0.3263
9854
24 -51.60393 0.0329 -0.0182 0.3244
9855
25 -51.60083 -0.0291 0.0166 -0.3459
9856
26 -51.60079 0.0353 -0.0192 0.3449
9857
27 -51.58233 0.0542 -0.0279 0.1204
9858
28 -51.58232 -0.0557 0.0285 -0.1204
9859
29 -51.26116 0.2332 -0.1193 -0.0363
9860
30 -51.26099 -0.2458 0.1246 0.0425
9861
31 -51.25337 -0.0890 0.0413 -0.4425
9862
32 -51.25327 0.1015 -0.0466 0.4363
9863
33 -51.25218 -0.3386 0.1323 0.0286
9864
34 -51.25208 0.3423 -0.1337 -0.0289
9865
35 -51.22185 0.0320 -0.0178 0.3925
9866
36 -51.22182 -0.0355 0.0191 -0.3921
9867
37 -50.84149 0.4835 -0.0932 -0.0104
9868
38 -50.84149 -0.4835 0.0932 0.0104
9869
39 -50.80217 0.1671 -0.0886 -0.2510
9870
40 -50.80215 -0.1661 0.0882 0.2513
9871
41 -50.78400 -0.4297 0.0154 0.0732
9872
42 -50.78393 0.4124 -0.0059 -0.0872
9873
43 -50.78354 0.4350 -0.0248 -0.0649
9874
44 -50.78347 -0.4034 0.0056 0.0989
9875
45 -50.78294 0.0154 -0.0173 -0.3691
9876
46 -50.78292 -0.0320 0.0278 0.3475
9877
47 -50.77955 0.0161 -0.0420 0.1678
9878
48 -50.77943 -0.0211 0.0465 -0.1664
9879
49 -50.76957 0.6637 -0.3490 -0.1044
9880
50 -50.76935 -0.6695 0.3475 0.0970
9881
51 -50.76475 -0.1489 0.0908 0.2350
9882
52 -50.76460 0.1575 -0.0935 -0.2285
9883
53 -50.75073 -0.4627 0.2356 0.0330
9884
54 -50.75052 0.4638 -0.2383 -0.0259
9885
55 -50.74879 0.0284 -0.0168 -0.4750
9886
56 -50.74875 -0.0063 0.0040 0.4895
9887
57 -50.74856 0.1172 -0.0627 0.2276
9888
58 -50.74850 -0.1491 0.0827 -0.2405
9889
59 -50.74817 0.2698 -0.1417 -0.0682
9890
60 -50.74814 -0.2542 0.1352 0.0612
9891
61 -50.73809 -0.0259 -0.0161 0.4806
9892
62 -50.73808 0.0246 0.0164 -0.4797
9893
63 -50.73672 -0.1122 0.0260 0.1422
9894
64 -50.73667 0.1109 -0.0251 -0.1452
9895
65 -50.71705 -0.2111 0.1140 -0.3458
9896
66 -50.71696 0.2126 -0.1155 0.3520
9897
67 -50.71108 0.5094 -0.2438 0.1678
9898
68 -50.71101 -0.5082 0.2443 -0.1716
9899
69 -50.70752 0.0746 -0.0269 -0.4110
9900
70 -50.70748 -0.0770 0.0277 0.4108
9901
71 -50.69744 -0.0429 -0.0049 0.8982
9902
72 -50.69740 0.0465 0.0039 -0.9011
9903
73 -50.69359 0.1004 -0.0316 -0.3599
9904
74 -50.69353 -0.1047 0.0331 0.3588
9905
75 -50.69157 -0.4351 0.1836 -0.2283
9906
76 -50.69153 0.4339 -0.1834 0.2310
9907
77 -50.67064 -0.0713 0.0179 0.5578
9908
78 -50.67063 0.0720 -0.0181 -0.5576
9909
79 -50.37978 -0.4378 0.1330 0.0171
9910
80 -50.37966 0.4390 -0.1331 -0.0170
9911
81 -50.36792 0.1411 -0.0387 0.0462
9912
82 -50.36783 -0.1331 0.0354 -0.0472
9913
83 -50.36315 0.3613 -0.0918 -0.0582
9914
84 -50.36303 -0.3619 0.0916 0.0593
9915
85 -50.34546 -0.3459 0.1926 -0.0483
9916
86 -50.34532 0.3382 -0.1897 0.0461
9917
87 -50.34024 0.0671 0.0143 0.1420
9918
88 -50.34013 -0.0762 -0.0109 -0.1410
9919
89 -50.32250 -0.1915 0.0733 0.1657
9920
90 -50.32235 0.1996 -0.0760 -0.1645
9921
91 -29.08020 0.0007 -0.0005 -0.4638
9922
92 -29.08020 -0.0006 0.0004 0.4638
9923
93 -29.07569 -0.0023 0.0011 0.1080
9924
94 -29.07569 0.0006 -0.0004 -0.1080
9925
95 -29.07495 0.0023 -0.0011 -0.0255
9926
96 -29.07495 -0.0006 0.0004 0.0256
9927
97 -29.06417 -0.0009 -0.0018 -0.2996
9928
98 -29.06417 0.0008 0.0019 0.2996
9929
99 -29.05159 -0.3773 0.1370 0.0000
9930
100 -29.05159 0.3774 -0.1371 -0.0000
9931
101 -29.04910 0.3762 -0.1362 0.0010
9932
102 -29.04909 -0.3762 0.1362 -0.0010
9933
103 -29.04705 0.3765 -0.1326 -0.0009
9934
104 -29.04705 -0.3765 0.1326 0.0009
9935
105 -29.03333 -0.3742 0.1346 0.0004
9936
106 -29.03333 0.3742 -0.1346 -0.0004
9937
107 -29.02457 0.0069 -0.0025 -0.1570
9938
108 -29.02457 0.0016 -0.0006 0.1569
9939
109 -29.02455 -0.0064 0.0024 0.1568
9940
110 -29.02455 -0.0021 0.0008 -0.1568
9941
111 -29.00455 -0.3690 0.1324 0.0005
9942
112 -29.00454 0.3690 -0.1324 -0.0005
9943
113 -29.00425 0.3795 -0.1363 -0.0005
9944
114 -29.00424 -0.3795 0.1363 0.0005
9945
115 -26.15001 0.1080 -0.0348 -0.0001
9946
116 -26.15001 -0.1081 0.0348 0.0001
9947
117 -26.13654 0.1056 -0.0463 0.0191
9948
118 -26.13654 -0.1050 0.0461 -0.0191
9949
119 -26.13444 -0.1038 0.0432 -0.0062
9950
120 -26.13444 0.1032 -0.0430 0.0062
9951
121 -26.10100 0.0409 -0.0284 -0.0011
9952
122 -26.10100 -0.0405 0.0282 0.0011
9953
123 -26.08895 0.0175 -0.0150 -0.5103
9954
124 -26.08895 -0.0180 0.0151 0.5103
9955
125 -26.08453 -0.0216 0.0092 0.5767
9956
126 -26.08453 0.0209 -0.0089 -0.5768
9957
127 -26.08420 0.0197 -0.0090 -0.5344
9958
128 -26.08420 -0.0174 0.0082 0.5347
9959
129 -26.08233 -0.1570 0.0919 0.0699
9960
130 -26.08232 0.1553 -0.0912 -0.0701
9961
131 -26.07528 0.3689 -0.1260 0.0135
9962
132 -26.07528 -0.3693 0.1261 -0.0135
9963
133 -26.07090 -0.3676 0.1175 -0.0267
9964
134 -26.07089 0.3683 -0.1178 0.0267
9965
135 -26.06389 0.1448 -0.0506 -0.1678
9966
136 -26.06388 -0.1469 0.0516 0.1718
9967
137 -26.06365 -0.1079 0.0319 0.1569
9968
138 -26.06364 0.1078 -0.0320 -0.1585
9969
139 -26.06319 -0.0566 0.0168 -0.3096
9970
140 -26.06319 0.0589 -0.0177 0.3072
9971
141 -26.04947 0.5044 -0.1765 -0.0006
9972
142 -26.04947 -0.5044 0.1765 0.0006
9973
143 -26.03387 0.0234 -0.0118 -0.4117
9974
144 -26.03387 -0.0189 0.0101 0.4118
9975
145 -26.03372 -0.0198 0.0104 0.4138
9976
146 -26.03372 0.0151 -0.0086 -0.4139
9977
147 -26.02147 -0.4531 0.1523 0.0031
9978
148 -26.02146 0.4533 -0.1523 -0.0031
9979
149 -26.02092 0.4956 -0.1684 -0.0025
9980
150 -26.02091 -0.4957 0.1684 0.0025
9981
151 -18.92799 -0.9355 0.3392 0.0986
9982
152 -18.92799 0.9355 -0.3392 -0.0986
9983
153 -18.85206 -0.9397 0.3420 0.0014
9984
154 -18.85206 0.9397 -0.3420 -0.0014
9985
155 -18.83205 0.9397 -0.3420 0.0027
9986
156 -18.83205 -0.9397 0.3420 -0.0027
9987
157 -18.27504 -0.9397 0.3419 0.0003
9988
158 -18.27504 0.9397 -0.3419 -0.0003
9989
159 -18.05890 -0.9396 0.3420 0.0007
9990
160 -18.05890 0.9396 -0.3420 -0.0007
9991
161 -17.86099 -0.9396 0.3421 0.0030
9992
162 -17.86099 0.9396 -0.3421 -0.0030
9993
163 -17.44162 -0.9395 0.3419 0.0004
9994
164 -17.44162 0.9395 -0.3419 -0.0004
9995
165 -17.19000 -0.9395 0.3420 0.0013
9996
166 -17.19000 0.9395 -0.3420 -0.0013
9997
167 -17.07076 -0.9395 0.3418 0.0008
9998
168 -17.07076 0.9395 -0.3418 -0.0008
9999
169 -14.82705 -0.9396 0.3418 -0.0017
10000
170 -14.82705 0.9396 -0.3418 0.0017
10001
171 -14.58359 0.9405 -0.3393 -0.0032
10002
172 -14.58359 -0.9405 0.3393 0.0032
10003
173 -14.39232 0.9396 -0.3418 -0.0003
10004
174 -14.39232 -0.9396 0.3418 0.0003
10005
175 -13.40698 -0.9393 0.3431 0.0043
10006
176 -13.40698 0.9393 -0.3431 -0.0043
10007
177 -13.20775 0.9393 -0.3431 -0.0000
10008
178 -13.20775 -0.9393 0.3431 0.0000
10009
179 -13.09397 0.9397 -0.3419 0.0017
10010
180 -13.09397 -0.9397 0.3419 -0.0017
10011
181 -7.66516 -0.8013 0.3516 0.1091
10012
182 -7.66516 0.8013 -0.3516 -0.1091
10013
183 -7.45082 -0.7670 0.2920 0.0176
10014
184 -7.45082 0.7670 -0.2920 -0.0176
10015
185 -7.25767 -0.5767 0.2099 -0.0004
10016
186 -7.25767 0.5767 -0.2099 0.0004
10017
187 -6.88535 -0.4827 0.1629 -0.0024
10018
188 -6.88535 0.4827 -0.1629 0.0024
10019
189 -6.84311 -0.1760 0.0615 -0.0039
10020
190 -6.84311 0.1760 -0.0615 0.0039
10021
191 -6.62526 0.3930 -0.1426 0.0020
10022
192 -6.62523 -0.3931 0.1426 -0.0020
10023
193 -6.59187 -0.3150 0.1141 -0.0051
10024
194 -6.59184 0.3151 -0.1141 0.0051
10025
195 -6.45859 0.2864 -0.1490 0.0640
10026
196 -6.45858 -0.3081 0.1269 -0.1095
10027
197 -6.45453 -0.0372 -0.0124 -0.1993
10028
198 -6.45453 0.0397 0.0114 0.2005
10029
199 -6.39877 0.0019 -0.0015 0.0412
10030
200 -6.39877 0.0035 -0.0004 -0.0412
10031
201 -6.39546 -0.0156 -0.0018 -0.0023
10032
202 -6.39545 0.0161 0.0015 0.0022
10033
203 -6.27942 0.2947 -0.1062 0.0018
10034
204 -6.27941 -0.3003 0.1081 -0.0017
10035
205 -6.23465 -0.2810 0.1009 0.0039
10036
206 -6.23465 0.2741 -0.0986 -0.0040
10037
207 -6.06768 -0.3168 0.1186 0.0073
10038
208 -6.06767 0.3207 -0.1201 -0.0073
10039
209 -5.98899 0.2751 -0.1014 -0.0377
10040
210 -5.98899 -0.2724 0.1004 0.0376
10041
211 -5.95364 -0.0017 0.0101 0.6017
10042
212 -5.95364 0.0032 -0.0107 -0.6016
10043
213 -5.89538 0.0028 -0.0029 0.6361
10044
214 -5.89538 -0.0034 0.0031 -0.6361
10045
215 -5.78436 0.1569 -0.0561 -0.0060
10046
216 -5.78436 -0.1569 0.0562 0.0060
10047
217 -5.68804 -0.0776 0.0290 -0.0009
10048
218 -5.68804 0.0770 -0.0286 0.0010
10049
219 -5.42691 0.7799 -0.2826 -0.0172
10050
220 -5.42686 -0.7554 0.2737 0.0164
10051
221 -5.40440 -0.1060 0.0378 0.0578
10052
222 -5.40437 0.0853 -0.0302 -0.0568
10053
223 -5.36653 -0.3866 0.1521 0.0815
10054
224 -5.36652 0.3810 -0.1500 -0.0815
10055
225 -5.34620 -0.0871 0.0365 -0.1147
10056
226 -5.34620 0.0883 -0.0369 0.1145
10057
227 -5.28001 0.0017 -0.0016 -0.6239
10058
228 -5.28001 -0.0012 0.0014 0.6239
10059
229 -5.25001 -0.0020 0.0024 -0.7391
10060
230 -5.25001 0.0017 -0.0023 0.7392
10061
231 -5.01420 -0.6192 0.2394 0.0102
10062
232 -5.01420 0.6200 -0.2396 -0.0102
10063
233 -4.82865 -0.5546 0.2005 -0.0008
10064
234 -4.82864 0.5367 -0.1939 0.0008
10065
235 -4.77471 0.5572 -0.2046 -0.0015
10066
236 -4.77470 -0.5374 0.1974 0.0014
10067
237 -4.38161 0.6410 -0.2341 -0.0023
10068
238 -4.38160 -0.6382 0.2330 0.0023
10069
239 -4.24213 0.4363 -0.1594 -0.0012
10070
240 -4.24213 -0.4346 0.1587 0.0012
10071
241 -3.99106 -0.2923 0.1059 0.0008
10072
242 -3.99106 0.2941 -0.1066 -0.0008
10073
243 -3.84188 -0.2703 0.0967 0.0058
10074
244 -3.84188 0.2726 -0.0976 -0.0058
10075
245 -3.75712 0.2638 -0.0961 -0.0032
10076
246 -3.75712 -0.2597 0.0944 0.0032
10077
247 -2.98053 0.4430 -0.1616 -0.0006
10078
248 -2.98053 -0.4465 0.1629 0.0006
10079
249 -2.79739 0.4441 -0.1581 -0.0032
10080
250 -2.79739 -0.4464 0.1591 0.0032
10081
251 -2.59645 0.4728 -0.1730 0.0004
10082
252 -2.59644 -0.4742 0.1737 -0.0004
10083
253 -2.17608 0.0002 0.0004 0.5252
10084
254 -2.17608 0.0014 -0.0009 -0.5252
10085
255 -2.03659 0.0019 -0.0009 -0.4053
10086
256 -2.03659 0.0001 0.0001 0.4053
10087
257 -1.92635 0.0013 -0.0006 -0.4534
10088
258 -1.92635 0.0008 -0.0001 0.4533
10089
259 -1.32853 0.5442 -0.2183 0.0038
10090
260 -1.32853 -0.5470 0.2193 -0.0038
10091
261 -1.16533 -0.5361 0.1999 0.0106
10092
262 -1.16533 0.5342 -0.1991 -0.0106
10093
263 -1.07996 0.0107 -0.0012 -0.0410
10094
264 -1.07996 -0.0111 0.0013 0.0410
10095
265 -1.00856 -0.5413 0.2054 0.0135
10096
266 -1.00856 0.5395 -0.2047 -0.0135
10097
267 -0.96021 0.0121 -0.0145 -0.3013
10098
268 -0.96021 -0.0128 0.0147 0.3013
10099
269 -0.89542 0.0018 -0.0017 0.4824
10100
270 -0.89542 -0.0016 0.0016 -0.4824
10101
271 5.79077 -1.0311 0.3754 0.0001
10102
272 5.79077 1.0319 -0.3757 -0.0001
10103
273 6.10218 -0.9963 0.3623 0.0001
10104
274 6.10218 0.9973 -0.3626 -0.0000
10105
275 6.29161 -1.0845 0.3935 0.0077
10106
276 6.29161 1.0855 -0.3938 -0.0077
10107
277 6.93488 -1.3716 0.4994 0.0090
10108
278 6.93488 1.3696 -0.4987 -0.0090
10109
279 7.01688 -1.4421 0.5261 0.0034
10110
280 7.01688 1.4400 -0.5253 -0.0034
10111
281 7.22958 -1.2038 0.4377 -0.0003
10112
282 7.22958 1.2037 -0.4377 0.0003
10113
283 7.49591 1.1774 -0.4296 -0.0025
10114
284 7.49591 -1.1755 0.4289 0.0025
10115
285 7.62586 1.2470 -0.4533 -0.0162
10116
286 7.62586 -1.2453 0.4527 0.0162
10117
287 8.17015 -1.5778 0.5744 -0.0096
10118
288 8.17016 1.5766 -0.5740 0.0096
10119
289 9.13983 -1.2972 0.4712 0.0482
10120
290 9.13984 1.2936 -0.4700 -0.0481
10121
291 9.39341 0.1194 -0.0442 -0.0791
10122
292 9.39344 -0.1183 0.0439 0.0789
10123
293 9.53547 0.0221 -0.0215 1.1079
10124
294 9.53547 -0.0221 0.0215 -1.1077
10125
295 9.68209 -1.2861 0.4693 0.1395
10126
296 9.68209 1.2818 -0.4677 -0.1394
10127
297 9.82357 0.0149 -0.0055 0.0558
10128
298 9.82357 -0.0132 0.0049 -0.0558
10129
299 10.01971 -0.0027 0.0074 -1.0882
10130
300 10.01971 0.0030 -0.0075 1.0881
10131
301 10.37764 0.9273 -0.3380 -0.0121
10132
302 10.37767 -0.9310 0.3393 0.0121
10133
303 10.51259 0.5864 -0.2096 0.2408
10134
304 10.51261 -0.5858 0.2094 -0.2403
10135
305 10.64116 -1.0561 0.3848 -0.2047
10136
306 10.64118 1.0549 -0.3844 0.2042
10137
307 11.53331 1.0953 -0.3987 0.0437
10138
308 11.53333 -1.0917 0.3975 -0.0436
10139
309 11.81246 0.5563 -0.2023 0.1034
10140
310 11.81247 -0.5574 0.2027 -0.1033
10141
311 12.14115 -0.7936 0.2894 -0.0618
10142
312 12.14120 0.7918 -0.2888 0.0616
10143
313 12.89873 0.0482 -0.0154 0.0070
10144
314 12.89874 -0.0394 0.0123 -0.0067
10145
315 13.11164 0.0018 0.0532 -0.8353
10146
316 13.11164 -0.0052 -0.0520 0.8352
10147
317 13.46324 0.0191 -0.0068 0.0370
10148
318 13.46324 -0.0183 0.0066 -0.0370
10149
319 14.20760 0.0268 -0.0118 -0.2829
10150
320 14.20760 -0.0266 0.0117 0.2829
10151
321 14.71849 -0.0132 0.0028 -0.2687
10152
322 14.71849 0.0145 -0.0033 0.2687
10153
323 14.81632 -0.1065 0.0380 -0.0121
10154
324 14.81636 0.1048 -0.0374 0.0120
10155
325 14.96785 0.1756 -0.0620 -0.0642
10156
326 14.96789 -0.1739 0.0614 0.0644
10157
327 15.05355 -0.5501 0.1907 0.0688
10158
328 15.05357 0.5543 -0.1922 -0.0687
10159
329 15.19601 -0.3180 0.0820 -0.6428
10160
330 15.19604 0.3051 -0.0770 0.6426
10161
331 15.19864 0.0133 -0.0010 0.6633
10162
332 15.19866 0.0010 -0.0046 -0.6632
10163
333 15.31947 0.0226 -0.0084 -0.1181
10164
334 15.31948 -0.0237 0.0088 0.1181
10165
335 15.82480 -0.0025 0.0032 0.5992
10166
336 15.82480 0.0025 -0.0032 -0.5992
10167
337 16.24874 0.9280 -0.3357 -0.0050
10168
338 16.24875 -0.9321 0.3372 0.0050
10169
339 16.62884 0.6275 -0.2288 0.0044
10170
340 16.62884 -0.6317 0.2304 -0.0044
10171
341 17.18374 -0.3181 0.1162 0.0088
10172
342 17.18374 0.3195 -0.1168 -0.0088
10173
343 17.55407 0.0052 -0.0046 -0.8469
10174
344 17.55407 -0.0016 0.0033 0.8469
10175
345 17.75057 -1.1137 0.4180 -0.0271
10176
346 17.75058 1.1093 -0.4163 0.0271
10177
347 18.23478 -0.1907 0.0682 0.1149
10178
348 18.23478 0.1906 -0.0682 -0.1149
10179
349 18.53849 0.0046 -0.0006 -0.8151
10180
350 18.53850 -0.0035 0.0002 0.8152
10181
351 18.76555 0.0006 -0.0006 0.9480
10182
352 18.76555 -0.0005 0.0006 -0.9482
10183
353 19.21118 -0.0154 0.0040 -0.7416
10184
354 19.21119 -0.0164 0.0076 0.7415
10185
355 19.24866 -0.0258 0.0043 -0.0922
10186
356 19.24866 0.0596 -0.0166 0.0924
10187
357 19.44127 0.0178 -0.0052 -0.0193
10188
358 19.44127 -0.0179 0.0052 0.0194
10189
359 19.75416 -0.0012 0.0049 -1.1597
10190
360 19.75416 0.0006 -0.0047 1.1597
10191
361 20.20255 -0.0000 -0.0005 -0.5925
10192
362 20.20255 -0.0005 0.0007 0.5925
10193
363 20.51025 0.0118 -0.0039 1.1275
10194
364 20.51025 -0.0123 0.0040 -1.1275
10195
365 21.07647 0.0032 -0.0050 -0.5564
10196
366 21.07647 -0.0035 0.0051 0.5563
10197
367 21.26308 -0.7323 0.2695 -0.0199
10198
368 21.26309 0.7313 -0.2692 0.0199
10199
369 21.33945 0.6979 -0.2545 0.0071
10200
370 21.33946 -0.6965 0.2541 -0.0071
10201
371 21.78861 0.7395 -0.2694 0.0001
10202
372 21.78861 -0.7392 0.2693 -0.0001
10203
373 25.90995 -1.1533 0.4200 -0.0025
10204
374 25.90995 1.1530 -0.4199 0.0025
10205
375 27.95818 1.0913 -0.3995 -0.0044
10206
376 27.95818 -1.0909 0.3994 0.0044
10207
377 31.13796 -1.0904 0.3967 -0.0000
10208
378 31.13796 1.0908 -0.3969 0.0000
10209
379 39.40581 0.6561 -0.2388 0.0003
10210
380 39.40581 -0.6557 0.2387 -0.0003
10211
381 42.22538 -0.7959 0.2913 -0.0059
10212
382 42.22538 0.7960 -0.2913 0.0059
10213
383 46.54510 0.8460 -0.3081 0.0035
10214
384 46.54510 -0.8461 0.3081 -0.0035
10215
385 50.27645 -0.8186 0.2980 -0.0074
10216
386 50.27645 0.8186 -0.2980 0.0074
10217
387 52.16722 -0.7649 0.2788 -0.0023
10218
388 52.16722 0.7650 -0.2788 0.0023
10219
389 53.96639 -0.7340 0.2672 -0.0274
10220
390 53.96639 0.7340 -0.2672 0.0274
10221
10222
k-point 27 ( -0.000837 -0.004748 0.000000 ) (Bohr^-1)
10223
ie e(eV) Sx Sy Sz
10224
1 -51.72595 -0.3007 -0.2508 -0.0687
10225
2 -51.72595 0.3006 0.2508 0.0687
10226
3 -51.67056 0.3639 -0.0782 0.0290
10227
4 -51.67053 -0.3613 0.0765 -0.0300
10228
5 -51.66991 -0.3939 0.0663 0.0115
10229
6 -51.66985 0.3941 -0.0661 -0.0114
10230
7 -51.66906 -0.2038 0.1287 0.0834
10231
8 -51.66888 0.2195 -0.1385 -0.1056
10232
9 -51.66713 0.0394 -0.0220 0.2693
10233
10 -51.66702 -0.0569 0.0334 -0.2485
10234
11 -51.66347 0.3313 -0.0273 0.0067
10235
12 -51.66337 -0.3306 0.0270 -0.0050
10236
13 -51.65083 0.0479 -0.0202 0.4312
10237
14 -51.65080 -0.0513 0.0208 -0.4304
10238
15 -51.62123 -0.0290 0.0155 -0.3795
10239
16 -51.62122 0.0308 -0.0158 0.3792
10240
17 -51.61745 0.1833 0.0867 -0.0816
10241
18 -51.61731 -0.1843 -0.0879 0.0786
10242
19 -51.61431 0.3933 -0.1823 0.0995
10243
20 -51.61414 -0.3979 0.1849 -0.0954
10244
21 -51.61141 0.1383 -0.2393 -0.1197
10245
22 -51.61138 -0.1443 0.2413 0.1215
10246
23 -51.60396 -0.0246 0.0145 -0.3030
10247
24 -51.60393 0.0313 -0.0166 0.3012
10248
25 -51.60082 -0.0285 0.0161 -0.3410
10249
26 -51.60079 0.0349 -0.0176 0.3399
10250
27 -51.58233 0.0543 -0.0245 0.1203
10251
28 -51.58232 -0.0558 0.0248 -0.1203
10252
29 -51.26116 0.2403 -0.1070 -0.0364
10253
30 -51.26100 -0.2532 0.1106 0.0423
10254
31 -51.25337 -0.0916 0.0325 -0.4345
10255
32 -51.25327 0.1044 -0.0360 0.4286
10256
33 -51.25218 -0.3592 0.0800 0.0278
10257
34 -51.25208 0.3630 -0.0807 -0.0282
10258
35 -51.22184 0.0318 -0.0169 0.3924
10259
36 -51.22182 -0.0354 0.0176 -0.3920
10260
37 -50.84149 0.5205 0.0505 -0.0092
10261
38 -50.84149 -0.5205 -0.0505 0.0092
10262
39 -50.80217 0.1633 -0.0787 -0.2398
10263
40 -50.80215 -0.1623 0.0785 0.2402
10264
41 -50.78400 -0.4690 -0.1482 0.0630
10265
42 -50.78393 0.4523 0.1567 -0.0762
10266
43 -50.78354 0.4735 0.1363 -0.0558
10267
44 -50.78347 -0.4439 -0.1553 0.0880
10268
45 -50.78294 0.0121 -0.0240 -0.3653
10269
46 -50.78292 -0.0275 0.0348 0.3448
10270
47 -50.77955 0.0011 -0.0675 0.1660
10271
48 -50.77944 -0.0052 0.0730 -0.1646
10272
49 -50.76956 0.6701 -0.3171 -0.1027
10273
50 -50.76935 -0.6777 0.3120 0.0956
10274
51 -50.76475 -0.1468 0.0946 0.2343
10275
52 -50.76460 0.1560 -0.0955 -0.2282
10276
53 -50.75072 -0.4710 0.2078 0.0323
10277
54 -50.75052 0.4712 -0.2119 -0.0255
10278
55 -50.74879 0.0275 -0.0167 -0.4752
10279
56 -50.74875 -0.0064 0.0044 0.4889
10280
57 -50.74856 0.1174 -0.0579 0.2185
10281
58 -50.74850 -0.1477 0.0787 -0.2309
10282
59 -50.74818 0.2557 -0.1211 -0.0650
10283
60 -50.74813 -0.2390 0.1163 0.0584
10284
61 -50.73809 -0.0371 -0.0379 0.4469
10285
62 -50.73808 0.0357 0.0378 -0.4461
10286
63 -50.73672 -0.1277 -0.0050 0.1393
10287
64 -50.73667 0.1264 0.0058 -0.1421
10288
65 -50.71705 -0.2139 0.1073 -0.3443
10289
66 -50.71697 0.2151 -0.1093 0.3502
10290
67 -50.71108 0.5231 -0.2000 0.1647
10291
68 -50.71101 -0.5214 0.2013 -0.1683
10292
69 -50.70752 0.0791 -0.0135 -0.3902
10293
70 -50.70748 -0.0817 0.0138 0.3900
10294
71 -50.69744 -0.0523 -0.0266 0.8295
10295
72 -50.69740 0.0562 0.0264 -0.8322
10296
73 -50.69359 0.1062 -0.0100 -0.3357
10297
74 -50.69353 -0.1109 0.0106 0.3347
10298
75 -50.69157 -0.4586 0.1273 -0.2250
10299
76 -50.69153 0.4572 -0.1276 0.2276
10300
77 -50.67064 -0.0771 -0.0007 0.5176
10301
78 -50.67063 0.0778 0.0006 -0.5174
10302
79 -50.37978 -0.4738 0.0359 0.0163
10303
80 -50.37966 0.4751 -0.0356 -0.0163
10304
81 -50.36792 0.1449 -0.0042 0.0441
10305
82 -50.36782 -0.1366 0.0020 -0.0450
10306
83 -50.36315 0.4036 0.0013 -0.0565
10307
84 -50.36303 -0.4044 -0.0020 0.0576
10308
85 -50.34546 -0.3365 0.1802 -0.0465
10309
86 -50.34532 0.3285 -0.1787 0.0443
10310
87 -50.34024 0.0870 0.0539 0.1348
10311
88 -50.34013 -0.0964 -0.0519 -0.1339
10312
89 -50.32250 -0.2022 0.0423 0.1587
10313
90 -50.32235 0.2108 -0.0432 -0.1576
10314
91 -29.08020 0.0008 -0.0005 -0.4206
10315
92 -29.08020 -0.0008 0.0005 0.4206
10316
93 -29.07569 -0.0024 0.0008 0.1047
10317
94 -29.07569 0.0007 -0.0004 -0.1047
10318
95 -29.07495 0.0024 -0.0008 -0.0234
10319
96 -29.07495 -0.0006 0.0004 0.0235
10320
97 -29.06417 -0.0016 -0.0013 -0.2751
10321
98 -29.06417 0.0014 0.0013 0.2751
10322
99 -29.05159 -0.3958 0.0685 0.0001
10323
100 -29.05159 0.3959 -0.0686 -0.0001
10324
101 -29.04910 0.3945 -0.0683 0.0009
10325
102 -29.04909 -0.3945 0.0683 -0.0009
10326
103 -29.04705 0.3945 -0.0626 -0.0006
10327
104 -29.04705 -0.3945 0.0626 0.0006
10328
105 -29.03333 -0.3924 0.0663 0.0003
10329
106 -29.03333 0.3924 -0.0663 -0.0003
10330
107 -29.02457 0.0072 -0.0013 -0.1624
10331
108 -29.02457 0.0017 -0.0003 0.1624
10332
109 -29.02455 -0.0067 0.0012 0.1623
10333
110 -29.02455 -0.0023 0.0004 -0.1623
10334
111 -29.00455 -0.3870 0.0649 0.0004
10335
112 -29.00454 0.3870 -0.0649 -0.0004
10336
113 -29.00425 0.3980 -0.0669 -0.0004
10337
114 -29.00424 -0.3980 0.0669 0.0004
10338
115 -26.15001 0.1125 -0.0120 -0.0020
10339
116 -26.15001 -0.1125 0.0120 0.0020
10340
117 -26.13654 0.1100 -0.0340 0.0322
10341
118 -26.13654 -0.1093 0.0339 -0.0322
10342
119 -26.13444 -0.1084 0.0290 -0.0143
10343
120 -26.13444 0.1078 -0.0289 0.0143
10344
121 -26.10100 0.0386 -0.0311 -0.0011
10345
122 -26.10100 -0.0381 0.0310 0.0011
10346
123 -26.08895 0.0142 -0.0186 -0.4813
10347
124 -26.08895 -0.0147 0.0186 0.4813
10348
125 -26.08453 -0.0225 0.0060 0.5630
10349
126 -26.08453 0.0218 -0.0059 -0.5631
10350
127 -26.08420 0.0207 -0.0071 -0.5364
10351
128 -26.08420 -0.0184 0.0066 0.5367
10352
129 -26.08233 -0.1565 0.0938 0.0697
10353
130 -26.08232 0.1547 -0.0934 -0.0699
10354
131 -26.07528 0.3899 -0.0536 0.0129
10355
132 -26.07528 -0.3903 0.0537 -0.0129
10356
133 -26.07090 -0.3871 0.0395 -0.0251
10357
134 -26.07089 0.3878 -0.0396 0.0251
10358
135 -26.06389 0.1506 -0.0231 -0.1595
10359
136 -26.06388 -0.1527 0.0239 0.1627
10360
137 -26.06365 -0.1156 0.0083 0.1753
10361
138 -26.06364 0.1155 -0.0086 -0.1771
10362
139 -26.06319 -0.0639 0.0062 -0.2646
10363
140 -26.06319 0.0663 -0.0067 0.2632
10364
141 -26.04947 0.5314 -0.0803 -0.0006
10365
142 -26.04947 -0.5314 0.0803 0.0006
10366
143 -26.03387 0.0236 -0.0101 -0.4089
10367
144 -26.03387 -0.0190 0.0091 0.4090
10368
145 -26.03372 -0.0200 0.0092 0.4105
10369
146 -26.03372 0.0152 -0.0082 -0.4106
10370
147 -26.02147 -0.4778 0.0617 0.0030
10371
148 -26.02147 0.4780 -0.0617 -0.0030
10372
149 -26.02092 0.5221 -0.0706 -0.0024
10373
150 -26.02091 -0.5222 0.0706 0.0024
10374
151 -18.92799 -0.9807 0.1700 0.0968
10375
152 -18.92799 0.9807 -0.1700 -0.0968
10376
153 -18.85206 -0.9848 0.1736 0.0019
10377
154 -18.85206 0.9848 -0.1736 -0.0019
10378
155 -18.83205 0.9848 -0.1737 0.0022
10379
156 -18.83205 -0.9848 0.1737 -0.0022
10380
157 -18.27504 -0.9848 0.1734 0.0002
10381
158 -18.27504 0.9848 -0.1734 -0.0002
10382
159 -18.05890 -0.9847 0.1736 0.0006
10383
160 -18.05890 0.9847 -0.1736 -0.0006
10384
161 -17.86099 -0.9847 0.1738 0.0027
10385
162 -17.86099 0.9847 -0.1738 -0.0027
10386
163 -17.44162 -0.9846 0.1736 0.0004
10387
164 -17.44162 0.9846 -0.1736 -0.0004
10388
165 -17.19000 -0.9846 0.1737 0.0012
10389
166 -17.19000 0.9846 -0.1737 -0.0012
10390
167 -17.07076 -0.9846 0.1734 0.0008
10391
168 -17.07076 0.9846 -0.1734 -0.0008
10392
169 -14.82705 -0.9848 0.1731 -0.0016
10393
170 -14.82705 0.9848 -0.1731 0.0016
10394
171 -14.58359 0.9854 -0.1695 -0.0027
10395
172 -14.58359 -0.9854 0.1695 0.0027
10396
173 -14.39232 0.9847 -0.1734 -0.0002
10397
174 -14.39232 -0.9847 0.1734 0.0002
10398
175 -13.40698 -0.9843 0.1761 0.0035
10399
176 -13.40698 0.9843 -0.1761 -0.0035
10400
177 -13.20775 0.9844 -0.1758 0.0006
10401
178 -13.20775 -0.9844 0.1758 -0.0006
10402
179 -13.09397 0.9848 -0.1734 0.0017
10403
180 -13.09397 -0.9848 0.1734 -0.0017
10404
181 -7.66516 -0.8362 0.2590 0.1068
10405
182 -7.66516 0.8362 -0.2590 -0.1068
10406
183 -7.45082 -0.8041 0.1650 0.0139
10407
184 -7.45082 0.8041 -0.1650 -0.0139
10408
185 -7.25767 -0.6044 0.1065 -0.0001
10409
186 -7.25767 0.6044 -0.1065 0.0001
10410
187 -6.88535 -0.5052 0.0663 -0.0014
10411
188 -6.88535 0.5052 -0.0663 0.0014
10412
189 -6.84311 -0.1845 0.0279 -0.0034
10413
190 -6.84311 0.1845 -0.0279 0.0034
10414
191 -6.62526 0.4120 -0.0718 0.0011
10415
192 -6.62523 -0.4120 0.0718 -0.0011
10416
193 -6.59187 -0.3304 0.0573 -0.0030
10417
194 -6.59184 0.3304 -0.0573 0.0030
10418
195 -6.45858 0.2822 -0.0961 0.0371
10419
196 -6.45858 -0.3371 0.0751 -0.0683
10420
197 -6.45453 -0.0790 -0.0187 -0.1445
10421
198 -6.45453 0.0816 0.0182 0.1452
10422
199 -6.39881 0.0046 -0.0020 0.0498
10423
200 -6.39880 0.0011 0.0011 -0.0498
10424
201 -6.39543 -0.0308 -0.0047 -0.0086
10425
202 -6.39542 0.0314 0.0045 0.0085
10426
203 -6.27942 0.3089 -0.0522 -0.0017
10427
204 -6.27941 -0.3147 0.0532 0.0017
10428
205 -6.23465 -0.2948 0.0495 -0.0011
10429
206 -6.23465 0.2876 -0.0483 0.0011
10430
207 -6.06768 -0.3324 0.0648 0.0050
10431
208 -6.06767 0.3365 -0.0656 -0.0050
10432
209 -5.98899 0.2882 -0.0536 -0.0452
10433
210 -5.98899 -0.2853 0.0531 0.0452
10434
211 -5.95365 0.0051 0.0119 0.5883
10435
212 -5.95365 -0.0034 -0.0122 -0.5883
10436
213 -5.89538 0.0019 -0.0033 0.6223
10437
214 -5.89538 -0.0026 0.0035 -0.6223
10438
215 -5.78436 0.1645 -0.0274 -0.0071
10439
216 -5.78436 -0.1644 0.0274 0.0071
10440
217 -5.68804 -0.0814 0.0156 -0.0003
10441
218 -5.68804 0.0808 -0.0154 0.0003
10442
219 -5.42691 0.8174 -0.1417 -0.0101
10443
220 -5.42687 -0.7917 0.1372 0.0096
10444
221 -5.40439 -0.1116 0.0182 0.0332
10445
222 -5.40436 0.0898 -0.0144 -0.0326
10446
223 -5.36653 -0.4063 0.0920 0.0475
10447
224 -5.36652 0.4004 -0.0909 -0.0474
10448
225 -5.34620 -0.0906 0.0235 -0.0675
10449
226 -5.34620 0.0919 -0.0237 0.0673
10450
227 -5.28001 0.0013 -0.0019 -0.6145
10451
228 -5.28001 -0.0008 0.0018 0.6145
10452
229 -5.25001 -0.0009 0.0028 -0.6895
10453
230 -5.25001 0.0006 -0.0028 0.6895
10454
231 -5.01420 -0.6489 0.1400 0.0100
10455
232 -5.01420 0.6497 -0.1401 -0.0100
10456
233 -4.82865 -0.5811 0.0999 -0.0007
10457
234 -4.82864 0.5624 -0.0966 0.0007
10458
235 -4.77471 0.5840 -0.1063 -0.0013
10459
236 -4.77470 -0.5633 0.1026 0.0013
10460
237 -4.38161 0.6718 -0.1198 -0.0019
10461
238 -4.38160 -0.6689 0.1193 0.0019
10462
239 -4.24213 0.4572 -0.0816 -0.0009
10463
240 -4.24213 -0.4555 0.0813 0.0009
10464
241 -3.99106 -0.3063 0.0533 0.0008
10465
242 -3.99106 0.3082 -0.0536 -0.0008
10466
243 -3.84188 -0.2832 0.0470 0.0056
10467
244 -3.84188 0.2856 -0.0475 -0.0056
10468
245 -3.75712 0.2765 -0.0487 -0.0031
10469
246 -3.75712 -0.2722 0.0479 0.0031
10470
247 -2.98053 0.4643 -0.0826 -0.0002
10471
248 -2.98053 -0.4680 0.0832 0.0002
10472
249 -2.79739 0.4653 -0.0759 -0.0029
10473
250 -2.79739 -0.4677 0.0763 0.0029
10474
251 -2.59645 0.4955 -0.0892 0.0005
10475
252 -2.59644 -0.4970 0.0895 -0.0005
10476
253 -2.17608 0.0003 0.0007 0.5173
10477
254 -2.17608 0.0013 -0.0009 -0.5173
10478
255 -2.03659 0.0020 -0.0008 -0.3872
10479
256 -2.03659 0.0001 0.0004 0.3872
10480
257 -1.92635 0.0012 -0.0006 -0.5754
10481
258 -1.92635 0.0010 0.0002 0.5754
10482
259 -1.32853 0.5703 -0.1354 0.0075
10483
260 -1.32853 -0.5732 0.1359 -0.0075
10484
261 -1.16533 -0.5619 0.1075 0.0051
10485
262 -1.16533 0.5600 -0.1072 -0.0051
10486
263 -1.07996 0.0104 0.0016 0.2830
10487
264 -1.07996 -0.0108 -0.0015 -0.2830
10488
265 -1.00856 -0.5675 0.1149 0.0061
10489
266 -1.00856 0.5656 -0.1145 -0.0061
10490
267 -0.96021 0.0075 -0.0180 -0.3819
10491
268 -0.96021 -0.0082 0.0181 0.3819
10492
269 -0.89542 0.0015 -0.0018 0.5703
10493
270 -0.89542 -0.0012 0.0017 -0.5703
10494
271 5.79077 -1.0806 0.1908 -0.0001
10495
272 5.79077 1.0814 -0.1909 0.0001
10496
273 6.10218 -1.0441 0.1835 -0.0001
10497
274 6.10218 1.0451 -0.1836 0.0001
10498
275 6.29161 -1.1365 0.1980 0.0081
10499
276 6.29161 1.1376 -0.1981 -0.0081
10500
277 6.93488 -1.4375 0.2538 0.0050
10501
278 6.93488 1.4354 -0.2534 -0.0050
10502
279 7.01688 -1.5113 0.2691 0.0010
10503
280 7.01688 1.5091 -0.2687 -0.0010
10504
281 7.22958 -1.2616 0.2216 0.0000
10505
282 7.22958 1.2615 -0.2216 -0.0000
10506
283 7.49591 1.2339 -0.2196 0.0002
10507
284 7.49591 -1.2319 0.2192 -0.0002
10508
285 7.62586 1.3069 -0.2292 -0.0113
10509
286 7.62586 -1.3051 0.2289 0.0113
10510
287 8.17015 -1.6536 0.2918 -0.0053
10511
288 8.17016 1.6523 -0.2916 0.0053
10512
289 9.13982 -1.3600 0.2382 0.0266
10513
290 9.13984 1.3563 -0.2376 -0.0265
10514
291 9.39342 0.1245 -0.0223 -0.0455
10515
292 9.39344 -0.1233 0.0221 0.0454
10516
293 9.53547 0.0188 -0.0251 1.0815
10517
294 9.53547 -0.0188 0.0251 -1.0814
10518
295 9.68208 -1.3528 0.2402 0.0746
10519
296 9.68209 1.3484 -0.2395 -0.0746
10520
297 9.82357 0.0155 -0.0026 0.0281
10521
298 9.82357 -0.0137 0.0023 -0.0280
10522
299 10.01970 0.0054 0.0094 -1.0499
10523
300 10.01970 -0.0052 -0.0095 1.0498
10524
301 10.37769 0.9716 -0.1713 -0.0080
10525
302 10.37771 -0.9755 0.1720 0.0080
10526
303 10.51251 0.6251 -0.1076 0.1398
10527
304 10.51253 -0.6246 0.1076 -0.1395
10528
305 10.64119 -1.1186 0.1966 -0.1179
10529
306 10.64121 1.1174 -0.1964 0.1176
10530
307 11.53331 1.1484 -0.2026 0.0255
10531
308 11.53334 -1.1446 0.2019 -0.0255
10532
309 11.81248 0.5850 -0.1031 0.0627
10533
310 11.81249 -0.5862 0.1033 -0.0627
10534
311 12.14113 -0.8320 0.1473 -0.0372
10535
312 12.14117 0.8301 -0.1469 0.0370
10536
313 12.89873 0.0529 -0.0077 0.0006
10537
314 12.89875 -0.0436 0.0062 -0.0004
10538
315 13.11164 0.0553 0.0744 -0.2955
10539
316 13.11164 -0.0589 -0.0738 0.2954
10540
317 13.46324 0.0200 -0.0033 0.0325
10541
318 13.46324 -0.0191 0.0032 -0.0325
10542
319 14.20760 0.0284 -0.0078 -0.2681
10543
320 14.20760 -0.0281 0.0078 0.2681
10544
321 14.71849 -0.0141 0.0005 -0.2712
10545
322 14.71849 0.0155 -0.0007 0.2713
10546
323 14.81631 -0.1119 0.0185 -0.0062
10547
324 14.81635 0.1101 -0.0182 0.0062
10548
325 14.96785 0.1844 -0.0291 -0.0370
10549
326 14.96790 -0.1827 0.0288 0.0371
10550
327 15.05356 -0.5829 0.0875 0.0400
10551
328 15.05358 0.5873 -0.0883 -0.0399
10552
329 15.19600 -0.3391 0.0124 -0.3471
10553
330 15.19603 0.3258 -0.0095 0.3470
10554
331 15.19864 0.0186 0.0024 0.3485
10555
332 15.19867 -0.0038 -0.0056 -0.3485
10556
333 15.31947 0.0237 -0.0043 -0.0850
10557
334 15.31948 -0.0247 0.0045 0.0850
10558
335 15.82480 -0.0007 0.0031 0.6827
10559
336 15.82480 0.0008 -0.0032 -0.6827
10560
337 16.24874 0.9725 -0.1677 -0.0045
10561
338 16.24875 -0.9768 0.1685 0.0045
10562
339 16.62884 0.6577 -0.1167 0.0016
10563
340 16.62884 -0.6620 0.1175 -0.0016
10564
341 17.18374 -0.3333 0.0598 0.0105
10565
342 17.18374 0.3348 -0.0601 -0.0105
10566
343 17.55407 0.0035 -0.0047 -0.8589
10567
344 17.55407 0.0002 0.0040 0.8589
10568
345 17.75057 -1.1663 0.2330 -0.0316
10569
346 17.75058 1.1617 -0.2321 0.0316
10570
347 18.23478 -0.2000 0.0332 0.1219
10571
348 18.23479 0.1999 -0.0333 -0.1219
10572
349 18.53850 0.0062 -0.0005 -0.8160
10573
350 18.53850 -0.0050 0.0003 0.8160
10574
351 18.76555 0.0002 -0.0006 0.9481
10575
352 18.76555 -0.0001 0.0006 -0.9482
10576
353 19.21118 -0.0170 0.0004 -0.6913
10577
354 19.21119 -0.0163 0.0055 0.6913
10578
355 19.24866 -0.0264 -0.0031 -0.1265
10579
356 19.24866 0.0619 -0.0032 0.1266
10580
357 19.44127 0.0194 -0.0013 0.0012
10581
358 19.44127 -0.0195 0.0013 -0.0012
10582
359 19.75416 0.0022 0.0042 -1.1189
10583
360 19.75416 -0.0029 -0.0041 1.1189
10584
361 20.20255 -0.0008 -0.0009 -0.5382
10585
362 20.20255 0.0003 0.0010 0.5382
10586
363 20.51025 0.0135 -0.0015 1.0638
10587
364 20.51025 -0.0140 0.0015 -1.0638
10588
365 21.07647 -0.0000 -0.0041 -0.6296
10589
366 21.07647 -0.0003 0.0041 0.6296
10590
367 21.26308 -0.7676 0.1408 -0.0116
10591
368 21.26309 0.7665 -0.1406 0.0116
10592
369 21.33945 0.7315 -0.1298 0.0032
10593
370 21.33946 -0.7300 0.1295 -0.0032
10594
371 21.78861 0.7750 -0.1372 0.0000
10595
372 21.78861 -0.7747 0.1371 -0.0000
10596
373 25.90995 -1.2086 0.2136 -0.0039
10597
374 25.90995 1.2084 -0.2135 0.0039
10598
375 27.95818 1.1437 -0.2059 -0.0036
10599
376 27.95818 -1.1433 0.2059 0.0036
10600
377 31.13796 -1.1427 0.2011 0.0003
10601
378 31.13796 1.1432 -0.2012 -0.0003
10602
379 39.40581 0.6876 -0.1213 0.0003
10603
380 39.40581 -0.6872 0.1212 -0.0003
10604
381 42.22538 -0.8341 0.1500 -0.0063
10605
382 42.22538 0.8342 -0.1500 0.0063
10606
383 46.54510 0.8866 -0.1566 0.0027
10607
384 46.54510 -0.8867 0.1566 -0.0027
10608
385 50.27645 -0.8579 0.1514 -0.0046
10609
386 50.27645 0.8580 -0.1514 0.0046
10610
387 52.16722 -0.8017 0.1421 -0.0009
10611
388 52.16722 0.8017 -0.1421 0.0009
10612
389 53.96639 -0.7695 0.1357 -0.0170
10613
390 53.96639 0.7696 -0.1357 0.0170
10614
10615
k-point 28 ( 0.000000 -0.004821 0.000000 ) (Bohr^-1)
10616
ie e(eV) Sx Sy Sz
10617
1 -51.72595 -0.2884 -0.3088 -0.0484
10618
2 -51.72595 0.2883 0.3088 0.0484
10619
3 -51.67056 0.3791 -0.0192 0.0275
10620
4 -51.67053 -0.3767 0.0175 -0.0284
10621
5 -51.66991 -0.4053 -0.0042 0.0108
10622
6 -51.66985 0.4055 0.0045 -0.0107
10623
7 -51.66905 -0.2012 0.1339 0.0847
10624
8 -51.66889 0.2154 -0.1433 -0.1052
10625
9 -51.66713 0.0385 -0.0210 0.2592
10626
10 -51.66702 -0.0542 0.0321 -0.2399
10627
11 -51.66347 0.3403 0.0409 0.0064
10628
12 -51.66337 -0.3396 -0.0411 -0.0049
10629
13 -51.65083 0.0481 -0.0161 0.4243
10630
14 -51.65080 -0.0516 0.0161 -0.4236
10631
15 -51.62123 -0.0284 0.0143 -0.3810
10632
16 -51.62122 0.0302 -0.0143 0.3807
10633
17 -51.61745 0.2169 0.1599 -0.0763
10634
18 -51.61731 -0.2182 -0.1618 0.0735
10635
19 -51.61430 0.3784 -0.1520 0.0931
10636
20 -51.61414 -0.3825 0.1544 -0.0893
10637
21 -51.61141 0.0901 -0.2852 -0.1108
10638
22 -51.61138 -0.0960 0.2864 0.1125
10639
23 -51.60396 -0.0222 0.0132 -0.2682
10640
24 -51.60393 0.0288 -0.0145 0.2665
10641
25 -51.60082 -0.0273 0.0151 -0.3305
10642
26 -51.60079 0.0337 -0.0157 0.3296
10643
27 -51.58233 0.0532 -0.0202 0.1188
10644
28 -51.58232 -0.0548 0.0203 -0.1188
10645
29 -51.26115 0.2484 -0.0930 -0.0365
10646
30 -51.26100 -0.2612 0.0947 0.0420
10647
31 -51.25336 -0.0930 0.0224 -0.4194
10648
32 -51.25327 0.1057 -0.0241 0.4140
10649
33 -51.25218 -0.3748 0.0229 0.0266
10650
34 -51.25208 0.3787 -0.0231 -0.0269
10651
35 -51.22184 0.0312 -0.0156 0.3904
10652
36 -51.22182 -0.0349 0.0158 -0.3901
10653
37 -50.84149 0.5297 0.1781 -0.0076
10654
38 -50.84149 -0.5297 -0.1781 0.0076
10655
39 -50.80217 0.1546 -0.0664 -0.2215
10656
40 -50.80215 -0.1536 0.0665 0.2218
10657
41 -50.78401 -0.4746 -0.2732 0.0509
10658
42 -50.78393 0.4591 0.2805 -0.0629
10659
43 -50.78354 0.4796 0.2620 -0.0450
10660
44 -50.78346 -0.4529 -0.2803 0.0744
10661
45 -50.78294 0.0087 -0.0313 -0.3593
10662
46 -50.78292 -0.0223 0.0423 0.3405
10663
47 -50.77955 -0.0154 -0.0950 0.1625
10664
48 -50.77944 0.0124 0.1014 -0.1613
10665
49 -50.76956 0.6698 -0.2787 -0.0996
10666
50 -50.76936 -0.6791 0.2701 0.0931
10667
51 -50.76474 -0.1445 0.0988 0.2333
10668
52 -50.76461 0.1541 -0.0978 -0.2276
10669
53 -50.75072 -0.4754 0.1753 0.0311
10670
54 -50.75053 0.4746 -0.1808 -0.0248
10671
55 -50.74879 0.0262 -0.0163 -0.4754
10672
56 -50.74875 -0.0068 0.0050 0.4880
10673
57 -50.74856 0.1155 -0.0522 0.2036
10674
58 -50.74850 -0.1435 0.0732 -0.2150
10675
59 -50.74818 0.2327 -0.0976 -0.0602
10676
60 -50.74813 -0.2153 0.0945 0.0542
10677
61 -50.73809 -0.0460 -0.0566 0.3975
10678
62 -50.73807 0.0445 0.0562 -0.3967
10679
63 -50.73672 -0.1426 -0.0383 0.1339
10680
64 -50.73667 0.1415 0.0391 -0.1366
10681
65 -50.71704 -0.2164 0.0996 -0.3414
10682
66 -50.71697 0.2171 -0.1019 0.3469
10683
67 -50.71108 0.5305 -0.1500 0.1591
10684
68 -50.71101 -0.5285 0.1520 -0.1624
10685
69 -50.70752 0.0818 0.0006 -0.3565
10686
70 -50.70748 -0.0844 -0.0008 0.3563
10687
71 -50.69744 -0.0587 -0.0456 0.7281
10688
72 -50.69740 0.0629 0.0464 -0.7305
10689
73 -50.69359 0.1082 0.0114 -0.2985
10690
74 -50.69353 -0.1130 -0.0117 0.2976
10691
75 -50.69157 -0.4784 0.0646 -0.2189
10692
76 -50.69153 0.4769 -0.0653 0.2212
10693
77 -50.67064 -0.0795 -0.0185 0.4567
10694
78 -50.67063 0.0803 0.0186 -0.4565
10695
79 -50.37978 -0.4976 -0.0639 0.0151
10696
80 -50.37966 0.4991 0.0646 -0.0151
10697
81 -50.36793 0.1408 0.0261 0.0408
10698
82 -50.36782 -0.1326 -0.0271 -0.0417
10699
83 -50.36314 0.4397 0.0991 -0.0536
10700
84 -50.36303 -0.4407 -0.1001 0.0546
10701
85 -50.34546 -0.3183 0.1630 -0.0434
10702
86 -50.34532 0.3103 -0.1628 0.0414
10703
87 -50.34024 0.1037 0.0911 0.1232
10704
88 -50.34013 -0.1132 -0.0907 -0.1224
10705
89 -50.32249 -0.2087 0.0089 0.1472
10706
90 -50.32235 0.2176 -0.0082 -0.1462
10707
91 -29.08020 0.0010 -0.0004 -0.3594
10708
92 -29.08020 -0.0010 0.0004 0.3594
10709
93 -29.07569 -0.0025 0.0004 0.0989
10710
94 -29.07569 0.0007 -0.0004 -0.0989
10711
95 -29.07495 0.0025 -0.0004 -0.0207
10712
96 -29.07495 -0.0006 0.0004 0.0208
10713
97 -29.06417 -0.0021 0.0000 0.0279
10714
98 -29.06417 0.0019 -0.0000 -0.0279
10715
99 -29.05159 -0.4020 -0.0020 0.0001
10716
100 -29.05159 0.4022 0.0020 -0.0001
10717
101 -29.04910 0.4007 0.0016 0.0007
10718
102 -29.04909 -0.4008 -0.0016 -0.0007
10719
103 -29.04705 0.3997 0.0086 -0.0000
10720
104 -29.04705 -0.3998 -0.0086 0.0000
10721
105 -29.03333 -0.3983 -0.0037 0.0001
10722
106 -29.03333 0.3983 0.0037 -0.0001
10723
107 -29.02457 0.0073 -0.0001 -0.1679
10724
108 -29.02457 0.0018 0.0000 0.1679
10725
109 -29.02455 -0.0068 0.0001 0.1678
10726
110 -29.02455 -0.0024 -0.0000 -0.1678
10727
111 -29.00455 -0.3929 -0.0044 0.0003
10728
112 -29.00454 0.3930 0.0044 -0.0003
10729
113 -29.00425 0.4041 0.0044 -0.0003
10730
114 -29.00424 -0.4041 -0.0044 0.0003
10731
115 -26.15001 0.1121 0.0100 -0.0047
10732
116 -26.15001 -0.1122 -0.0100 0.0047
10733
117 -26.13654 0.1129 -0.0203 0.0509
10734
118 -26.13654 -0.1122 0.0203 -0.0509
10735
119 -26.13444 -0.1110 0.0134 -0.0256
10736
120 -26.13444 0.1103 -0.0134 0.0256
10737
121 -26.10100 0.0356 -0.0339 0.0011
10738
122 -26.10100 -0.0351 0.0339 -0.0011
10739
123 -26.08895 0.0104 -0.0214 -0.4350
10740
124 -26.08895 -0.0109 0.0214 0.4350
10741
125 -26.08453 -0.0227 0.0026 0.5322
10742
126 -26.08453 0.0220 -0.0026 -0.5323
10743
127 -26.08420 0.0220 -0.0046 -0.5372
10744
128 -26.08420 -0.0197 0.0045 0.5374
10745
129 -26.08233 -0.1558 0.0964 0.0694
10746
130 -26.08232 0.1541 -0.0963 -0.0696
10747
131 -26.07528 0.3986 0.0202 0.0120
10748
132 -26.07528 -0.3991 -0.0202 -0.0120
10749
133 -26.07090 -0.3918 -0.0374 -0.0225
10750
134 -26.07089 0.3925 0.0373 0.0225
10751
135 -26.06390 0.1507 0.0041 -0.1464
10752
136 -26.06388 -0.1527 -0.0035 0.1486
10753
137 -26.06365 -0.1189 -0.0140 0.1965
10754
138 -26.06364 0.1187 0.0135 -0.1987
10755
139 -26.06319 -0.0700 -0.0032 -0.1989
10756
140 -26.06319 0.0723 0.0031 0.1988
10757
141 -26.04947 0.5417 0.0181 -0.0005
10758
142 -26.04947 -0.5417 -0.0181 0.0005
10759
143 -26.03387 0.0234 -0.0078 -0.4015
10760
144 -26.03387 -0.0188 0.0076 0.4016
10761
145 -26.03372 -0.0200 0.0076 0.4024
10762
146 -26.03372 0.0152 -0.0073 -0.4025
10763
147 -26.02147 -0.4864 -0.0297 0.0028
10764
148 -26.02147 0.4865 0.0297 -0.0028
10765
149 -26.02091 0.5311 0.0283 -0.0022
10766
150 -26.02091 -0.5312 -0.0282 0.0022
10767
151 -18.92799 -0.9957 -0.0042 0.0929
10768
152 -18.92799 0.9957 0.0042 -0.0929
10769
153 -18.85206 -1.0000 -0.0001 0.0026
10770
154 -18.85206 1.0000 0.0001 -0.0026
10771
155 -18.83205 1.0000 -0.0001 0.0014
10772
156 -18.83205 -1.0000 0.0001 -0.0014
10773
157 -18.27504 -0.9999 -0.0004 0.0001
10774
158 -18.27504 0.9999 0.0004 -0.0001
10775
159 -18.05890 -0.9999 -0.0000 0.0005
10776
160 -18.05890 0.9999 0.0000 -0.0005
10777
161 -17.86099 -0.9999 0.0002 0.0022
10778
162 -17.86099 0.9999 -0.0002 -0.0022
10779
163 -17.44162 -0.9998 -0.0001 0.0003
10780
164 -17.44162 0.9998 0.0001 -0.0003
10781
165 -17.19000 -0.9998 0.0002 0.0011
10782
166 -17.19000 0.9998 -0.0002 -0.0011
10783
167 -17.07076 -0.9998 -0.0004 0.0007
10784
168 -17.07076 0.9998 0.0004 -0.0007
10785
169 -14.82705 -0.9999 -0.0008 -0.0013
10786
170 -14.82705 0.9999 0.0008 0.0013
10787
171 -14.58359 0.9998 0.0050 -0.0021
10788
172 -14.58359 -0.9998 -0.0050 0.0021
10789
173 -14.39232 0.9998 0.0003 -0.0000
10790
174 -14.39232 -0.9998 -0.0003 0.0000
10791
175 -13.40698 -1.0000 0.0036 0.0023
10792
176 -13.40698 1.0000 -0.0036 -0.0023
10793
177 -13.20775 1.0000 -0.0030 0.0015
10794
178 -13.20775 -1.0000 0.0030 -0.0015
10795
179 -13.09397 1.0000 0.0004 0.0017
10796
180 -13.09397 -1.0000 -0.0004 -0.0017
10797
181 -7.66516 -0.8621 0.1557 0.1028
10798
182 -7.66516 0.8621 -0.1557 -0.1028
10799
183 -7.45082 -0.8203 0.0312 0.0086
10800
184 -7.45082 0.8203 -0.0312 -0.0086
10801
185 -7.25767 -0.6138 -0.0001 0.0004
10802
186 -7.25767 0.6138 0.0001 -0.0004
10803
187 -6.88535 -0.5088 -0.0298 -0.0001
10804
188 -6.88535 0.5088 0.0298 0.0001
10805
189 -6.84311 -0.1867 -0.0061 -0.0025
10806
190 -6.84311 0.1867 0.0061 0.0025
10807
191 -6.62526 0.4185 0.0012 -0.0001
10808
192 -6.62523 -0.4185 -0.0012 0.0001
10809
193 -6.59186 -0.3357 -0.0013 0.0000
10810
194 -6.59183 0.3357 0.0013 -0.0000
10811
195 -6.45858 0.2821 0.0011 -0.0084
10812
196 -6.45858 -0.3540 0.0009 0.0018
10813
197 -6.45453 -0.1132 -0.0052 -0.0009
10814
198 -6.45453 0.1158 0.0053 0.0009
10815
199 -6.39882 0.0080 -0.0005 0.0508
10816
200 -6.39882 -0.0022 0.0005 -0.0508
10817
201 -6.39541 -0.0540 0.0028 -0.0279
10818
202 -6.39541 0.0546 -0.0028 0.0279
10819
203 -6.27942 0.3132 0.0033 -0.0062
10820
204 -6.27941 -0.3191 -0.0033 0.0062
10821
205 -6.23465 -0.2989 -0.0034 -0.0078
10822
206 -6.23465 0.2916 0.0034 0.0078
10823
207 -6.06768 -0.3391 0.0086 0.0018
10824
208 -6.06767 0.3433 -0.0086 -0.0018
10825
209 -5.98899 0.2933 -0.0047 -0.0549
10826
210 -5.98899 -0.2903 0.0047 0.0549
10827
211 -5.95365 0.0105 0.0102 0.5763
10828
212 -5.95365 -0.0088 -0.0102 -0.5763
10829
213 -5.89538 0.0011 -0.0032 0.5894
10830
214 -5.89538 -0.0018 0.0032 -0.5894
10831
215 -5.78436 0.1668 0.0021 -0.0084
10832
216 -5.78436 -0.1668 -0.0021 0.0084
10833
217 -5.68804 -0.0831 0.0016 0.0007
10834
218 -5.68804 0.0824 -0.0016 -0.0007
10835
219 -5.42692 0.8297 0.0034 -0.0003
10836
220 -5.42688 -0.8035 -0.0033 0.0003
10837
221 -5.40437 -0.1133 -0.0019 -0.0002
10838
222 -5.40434 0.0912 0.0018 0.0002
10839
223 -5.36653 -0.4167 0.0270 -0.0005
10840
224 -5.36652 0.4107 -0.0270 0.0005
10841
225 -5.34621 -0.0923 0.0081 0.0032
10842
226 -5.34620 0.0936 -0.0081 -0.0032
10843
227 -5.28001 0.0009 -0.0022 -0.5964
10844
228 -5.28000 -0.0004 0.0022 0.5964
10845
229 -5.25001 0.0004 0.0029 -0.6079
10846
230 -5.25001 -0.0007 -0.0029 0.6079
10847
231 -5.01420 -0.6630 0.0345 0.0096
10848
232 -5.01420 0.6638 -0.0345 -0.0096
10849
233 -4.82865 -0.5896 -0.0034 -0.0006
10850
234 -4.82864 0.5705 0.0034 0.0006
10851
235 -4.77471 0.5935 -0.0044 -0.0010
10852
236 -4.77470 -0.5725 0.0044 0.0010
10853
237 -4.38161 0.6824 -0.0019 -0.0013
10854
238 -4.38160 -0.6794 0.0019 0.0013
10855
239 -4.24213 0.4644 -0.0013 -0.0005
10856
240 -4.24213 -0.4627 0.0013 0.0005
10857
241 -3.99106 -0.3109 -0.0009 0.0008
10858
242 -3.99106 0.3129 0.0009 -0.0008
10859
243 -3.84188 -0.2871 -0.0038 0.0052
10860
244 -3.84188 0.2896 0.0038 -0.0052
10861
245 -3.75712 0.2808 0.0001 -0.0030
10862
246 -3.75712 -0.2764 -0.0001 0.0030
10863
247 -2.98053 0.4716 -0.0010 0.0002
10864
248 -2.98053 -0.4753 0.0010 -0.0002
10865
249 -2.79739 0.4714 0.0081 -0.0023
10866
250 -2.79739 -0.4738 -0.0081 0.0023
10867
251 -2.59645 0.5035 -0.0024 0.0006
10868
252 -2.59644 -0.5050 0.0024 -0.0006
10869
253 -2.17608 0.0005 0.0009 0.5024
10870
254 -2.17608 0.0012 -0.0009 -0.5024
10871
255 -2.03659 0.0020 -0.0007 -0.3604
10872
256 -2.03659 0.0001 0.0007 0.3604
10873
257 -1.92635 0.0011 -0.0004 -0.6853
10874
258 -1.92635 0.0011 0.0004 0.6853
10875
259 -1.32853 0.5839 -0.0462 0.0124
10876
260 -1.32853 -0.5869 0.0462 -0.0124
10877
261 -1.16533 -0.5721 0.0112 -0.0024
10878
262 -1.16533 0.5701 -0.0112 0.0024
10879
263 -1.07996 0.0097 0.0028 0.5785
10880
264 -1.07996 -0.0101 -0.0028 -0.5785
10881
265 -1.00856 -0.5788 0.0197 -0.0040
10882
266 -1.00856 0.5769 -0.0197 0.0040
10883
267 -0.96021 0.0029 -0.0199 -0.4736
10884
268 -0.96021 -0.0036 0.0199 0.4736
10885
269 -0.89542 0.0016 -0.0014 0.7026
10886
270 -0.89542 -0.0013 0.0014 -0.7026
10887
271 5.79077 -1.0973 0.0003 -0.0002
10888
272 5.79077 1.0981 -0.0003 0.0002
10889
273 6.10218 -1.0601 -0.0009 -0.0003
10890
274 6.10218 1.0611 0.0009 0.0003
10891
275 6.29161 -1.1536 -0.0034 0.0085
10892
276 6.29161 1.1548 0.0034 -0.0085
10893
277 6.93488 -1.4597 0.0004 -0.0006
10894
278 6.93488 1.4576 -0.0004 0.0006
10895
279 7.01688 -1.5350 0.0038 -0.0022
10896
280 7.01688 1.5329 -0.0038 0.0022
10897
281 7.22958 -1.2809 -0.0011 0.0004
10898
282 7.22958 1.2808 0.0011 -0.0004
10899
283 7.49591 1.2533 -0.0027 0.0039
10900
284 7.49591 -1.2513 0.0027 -0.0039
10901
285 7.62586 1.3269 0.0017 -0.0045
10902
286 7.62586 -1.3251 -0.0017 0.0045
10903
287 8.17015 -1.6792 0.0004 0.0005
10904
288 8.17016 1.6779 -0.0004 -0.0005
10905
289 9.13982 -1.3810 -0.0020 -0.0029
10906
290 9.13984 1.3772 0.0020 0.0029
10907
291 9.39342 0.1262 0.0010 0.0006
10908
292 9.39345 -0.1250 -0.0010 -0.0006
10909
293 9.53547 0.0397 -0.0033 0.1045
10910
294 9.53547 -0.0398 0.0033 -0.1045
10911
295 9.68208 -1.3759 0.0014 -0.0146
10912
296 9.68209 1.3713 -0.0014 0.0146
10913
297 9.82357 0.0158 0.0006 -0.0098
10914
298 9.82357 -0.0140 -0.0006 0.0098
10915
299 10.01970 0.0272 -0.0038 0.4773
10916
300 10.01970 -0.0270 0.0038 -0.4773
10917
301 10.37770 0.9864 0.0015 -0.0023
10918
302 10.37773 -0.9904 -0.0015 0.0023
10919
303 10.51248 0.6402 -0.0032 -0.0026
10920
304 10.51250 -0.6396 0.0032 0.0026
10921
305 10.64121 -1.1415 -0.0032 0.0038
10922
306 10.64122 1.1403 0.0032 -0.0038
10923
307 11.53331 1.1664 -0.0000 0.0007
10924
308 11.53334 -1.1625 0.0000 -0.0007
10925
309 11.81249 0.5952 -0.0002 0.0069
10926
310 11.81250 -0.5964 0.0002 -0.0069
10927
311 12.14112 -0.8451 0.0002 -0.0034
10928
312 12.14116 0.8431 -0.0002 0.0034
10929
313 12.89874 0.0550 -0.0011 -0.0082
10930
314 12.89875 -0.0456 0.0011 0.0082
10931
315 13.11164 0.0702 0.0466 0.5893
10932
316 13.11164 -0.0738 -0.0466 -0.5893
10933
317 13.46324 0.0203 0.0003 0.0260
10934
318 13.46324 -0.0194 -0.0003 -0.0260
10935
319 14.20760 0.0296 -0.0023 -0.2334
10936
320 14.20760 -0.0294 0.0023 0.2334
10937
321 14.71849 -0.0144 -0.0008 -0.2896
10938
322 14.71849 0.0159 0.0008 0.2896
10939
323 14.81631 -0.1140 -0.0015 0.0017
10940
324 14.81635 0.1121 0.0015 -0.0017
10941
325 14.96785 0.1873 0.0045 0.0001
10942
326 14.96790 -0.1855 -0.0045 -0.0001
10943
327 15.05357 -0.5928 -0.0181 0.0003
10944
328 15.05359 0.5973 0.0181 -0.0003
10945
329 15.19599 -0.3416 -0.0443 0.0289
10946
330 15.19602 0.3282 0.0449 -0.0288
10947
331 15.19865 0.0191 0.0058 -0.0402
10948
332 15.19868 -0.0043 -0.0063 0.0401
10949
333 15.31947 0.0240 -0.0001 -0.0383
10950
334 15.31948 -0.0251 0.0001 0.0383
10951
335 15.82480 0.0006 0.0011 0.7680
10952
336 15.82480 -0.0006 -0.0011 -0.7680
10953
337 16.24874 0.9868 0.0052 -0.0038
10954
338 16.24875 -0.9912 -0.0052 0.0038
10955
339 16.62884 0.6680 -0.0010 -0.0023
10956
340 16.62884 -0.6724 0.0010 0.0023
10957
341 17.18374 -0.3386 0.0015 0.0126
10958
342 17.18374 0.3402 -0.0015 -0.0126
10959
343 17.55407 0.0022 -0.0036 -0.8743
10960
344 17.55407 0.0016 0.0036 0.8743
10961
345 17.75057 -1.1884 0.0403 -0.0375
10962
346 17.75058 1.1838 -0.0403 0.0375
10963
347 18.23478 -0.2030 -0.0024 0.1300
10964
348 18.23479 0.2028 0.0024 -0.1300
10965
349 18.53850 0.0070 -0.0013 -0.8154
10966
350 18.53850 -0.0059 0.0013 0.8154
10967
351 18.76555 -0.0003 -0.0005 0.9479
10968
352 18.76555 0.0004 0.0005 -0.9478
10969
353 19.21119 -0.0183 -0.0024 -0.5506
10970
354 19.21119 -0.0155 0.0024 0.5506
10971
355 19.24866 -0.0256 -0.0088 -0.1666
10972
356 19.24866 0.0617 0.0088 0.1666
10973
357 19.44127 0.0202 0.0024 0.0285
10974
358 19.44127 -0.0203 -0.0024 -0.0285
10975
359 19.75416 0.0040 0.0021 -1.1247
10976
360 19.75416 -0.0046 -0.0021 1.1247
10977
361 20.20255 -0.0018 -0.0000 0.4339
10978
362 20.20255 0.0013 0.0000 -0.4339
10979
363 20.51025 0.0154 0.0015 0.9436
10980
364 20.51025 -0.0159 -0.0015 -0.9436
10981
365 21.07648 -0.0018 -0.0006 -0.7210
10982
366 21.07648 0.0015 0.0006 0.7210
10983
367 21.26308 -0.7804 0.0072 -0.0002
10984
368 21.26309 0.7794 -0.0072 0.0002
10985
369 21.33945 0.7429 -0.0009 -0.0022
10986
370 21.33946 -0.7414 0.0009 0.0022
10987
371 21.78861 0.7871 -0.0007 -0.0001
10988
372 21.78861 -0.7868 0.0007 0.0001
10989
373 25.90995 -1.2273 0.0006 -0.0058
10990
374 25.90995 1.2271 -0.0006 0.0058
10991
375 27.95818 1.1621 -0.0057 -0.0025
10992
376 27.95818 -1.1617 0.0057 0.0025
10993
377 31.13796 -1.1603 -0.0005 0.0007
10994
378 31.13796 1.1608 0.0005 -0.0007
10995
379 39.40581 0.6982 -0.0001 0.0002
10996
380 39.40581 -0.6978 0.0001 -0.0002
10997
381 42.22538 -0.8475 0.0039 -0.0069
10998
382 42.22538 0.8476 -0.0039 0.0069
10999
383 46.54510 0.9003 -0.0004 0.0016
11000
384 46.54510 -0.9005 0.0004 -0.0016
11001
385 50.27645 -0.8712 0.0001 -0.0008
11002
386 50.27645 0.8712 -0.0001 0.0008
11003
387 52.16722 -0.8142 0.0010 0.0012
11004
388 52.16722 0.8142 -0.0010 -0.0012
11005
389 53.96639 -0.7816 0.0000 -0.0027
11006
390 53.96639 0.7816 -0.0000 0.0027
11007
11008
k-point 29 ( 0.000837 -0.004748 0.000000 ) (Bohr^-1)
11009
ie e(eV) Sx Sy Sz
11010
1 -51.72595 -0.2751 -0.3390 -0.0348
11011
2 -51.72595 0.2750 0.3390 0.0348
11012
3 -51.67056 0.3872 0.0453 0.0253
11013
4 -51.67053 -0.3852 -0.0470 -0.0261
11014
5 -51.66991 -0.4057 -0.0764 0.0097
11015
6 -51.66985 0.4058 0.0767 -0.0096
11016
7 -51.66904 -0.1978 0.1404 0.0863
11017
8 -51.66890 0.2103 -0.1490 -0.1046
11018
9 -51.66713 0.0367 -0.0196 0.2431
11019
10 -51.66702 -0.0503 0.0299 -0.2259
11020
11 -51.66347 0.3381 0.1063 0.0060
11021
12 -51.66337 -0.3375 -0.1064 -0.0046
11022
13 -51.65083 0.0479 -0.0110 0.4103
11023
14 -51.65081 -0.0512 0.0104 -0.4097
11024
15 -51.62123 -0.0275 0.0128 -0.3789
11025
16 -51.62122 0.0293 -0.0124 0.3787
11026
17 -51.61745 0.2455 0.2310 -0.0687
11027
18 -51.61731 -0.2472 -0.2334 0.0663
11028
19 -51.61430 0.3526 -0.1164 0.0839
11029
20 -51.61414 -0.3563 0.1185 -0.0806
11030
21 -51.61141 0.0392 -0.3225 -0.0986
11031
22 -51.61138 -0.0448 0.3229 0.1001
11032
23 -51.60396 -0.0192 0.0116 -0.2262
11033
24 -51.60393 0.0254 -0.0119 0.2247
11034
25 -51.60082 -0.0254 0.0136 -0.3117
11035
26 -51.60079 0.0316 -0.0132 0.3109
11036
27 -51.58233 0.0507 -0.0149 0.1139
11037
28 -51.58232 -0.0523 0.0147 -0.1139
11038
29 -51.26114 0.2581 -0.0756 -0.0367
11039
30 -51.26101 -0.2704 0.0754 0.0415
11040
31 -51.25336 -0.0929 0.0106 -0.3946
11041
32 -51.25327 0.1050 -0.0105 0.3898
11042
33 -51.25218 -0.3842 -0.0399 0.0246
11043
34 -51.25208 0.3880 0.0404 -0.0249
11044
35 -51.22184 0.0303 -0.0140 0.3832
11045
36 -51.22182 -0.0339 0.0135 -0.3830
11046
37 -50.84149 0.5183 0.2844 -0.0058
11047
38 -50.84149 -0.5183 -0.2844 0.0058
11048
39 -50.80217 0.1413 -0.0521 -0.1964
11049
40 -50.80215 -0.1402 0.0524 0.1967
11050
41 -50.78401 -0.4618 -0.3634 0.0395
11051
42 -50.78392 0.4477 0.3690 -0.0499
11052
43 -50.78355 0.4676 0.3550 -0.0349
11053
44 -50.78346 -0.4448 -0.3723 0.0605
11054
45 -50.78294 0.0049 -0.0397 -0.3514
11055
46 -50.78292 -0.0162 0.0509 0.3349
11056
47 -50.77954 -0.0344 -0.1259 0.1567
11057
48 -50.77945 0.0325 0.1330 -0.1556
11058
49 -50.76955 0.6602 -0.2305 -0.0946
11059
50 -50.76936 -0.6708 0.2188 0.0889
11060
51 -50.76474 -0.1417 0.1037 0.2317
11061
52 -50.76462 0.1513 -0.1007 -0.2267
11062
53 -50.75071 -0.4740 0.1360 0.0293
11063
54 -50.75053 0.4723 -0.1426 -0.0236
11064
55 -50.74879 0.0245 -0.0156 -0.4758
11065
56 -50.74875 -0.0074 0.0057 0.4868
11066
57 -50.74856 0.1106 -0.0451 0.1829
11067
58 -50.74850 -0.1355 0.0658 -0.1930
11068
59 -50.74818 0.2045 -0.0734 -0.0539
11069
60 -50.74813 -0.1869 0.0722 0.0486
11070
61 -50.73809 -0.0525 -0.0718 0.3385
11071
62 -50.73807 0.0510 0.0710 -0.3378
11072
63 -50.73672 -0.1568 -0.0749 0.1256
11073
64 -50.73668 0.1558 0.0757 -0.1280
11074
65 -50.71704 -0.2183 0.0900 -0.3365
11075
66 -50.71697 0.2187 -0.0926 0.3414
11076
67 -50.71107 0.5297 -0.0914 0.1500
11077
68 -50.71102 -0.5273 0.0942 -0.1530
11078
69 -50.70752 0.0822 0.0153 -0.3113
11079
70 -50.70748 -0.0848 -0.0158 0.3111
11080
71 -50.69744 -0.0624 -0.0613 0.6078
11081
72 -50.69740 0.0666 0.0629 -0.6100
11082
73 -50.69359 0.1064 0.0317 -0.2525
11083
74 -50.69353 -0.1111 -0.0329 0.2517
11084
75 -50.69156 -0.4937 -0.0074 -0.2086
11085
76 -50.69153 0.4921 0.0063 0.2107
11086
77 -50.67064 -0.0790 -0.0346 0.3825
11087
78 -50.67063 0.0798 0.0349 -0.3824
11088
79 -50.37978 -0.5081 -0.1645 0.0135
11089
80 -50.37966 0.5096 0.1654 -0.0134
11090
81 -50.36793 0.1322 0.0510 0.0365
11091
82 -50.36782 -0.1243 -0.0508 -0.0373
11092
83 -50.36314 0.4682 0.2015 -0.0492
11093
84 -50.36304 -0.4694 -0.2029 0.0501
11094
85 -50.34546 -0.2909 0.1408 -0.0391
11095
86 -50.34532 0.2830 -0.1419 0.0373
11096
87 -50.34024 0.1169 0.1249 0.1080
11097
88 -50.34013 -0.1262 -0.1261 -0.1073
11098
89 -50.32249 -0.2104 -0.0265 0.1314
11099
90 -50.32236 0.2193 0.0290 -0.1305
11100
91 -29.08020 0.0013 -0.0002 -0.2861
11101
92 -29.08020 -0.0012 0.0002 0.2861
11102
93 -29.07569 -0.0025 -0.0001 0.0899
11103
94 -29.07569 0.0008 -0.0002 -0.0900
11104
95 -29.07495 0.0025 0.0001 -0.0177
11105
96 -29.07495 -0.0007 0.0003 0.0177
11106
97 -29.06417 -0.0018 0.0002 0.1585
11107
98 -29.06417 0.0016 -0.0003 -0.1585
11108
99 -29.05159 -0.3959 -0.0724 0.0001
11109
100 -29.05159 0.3961 0.0724 -0.0001
11110
101 -29.04910 0.3948 0.0715 0.0005
11111
102 -29.04909 -0.3948 -0.0715 -0.0005
11112
103 -29.04705 0.3925 0.0787 0.0005
11113
104 -29.04705 -0.3925 -0.0787 -0.0005
11114
105 -29.03333 -0.3919 -0.0734 -0.0000
11115
106 -29.03333 0.3919 0.0734 0.0000
11116
107 -29.02457 0.0071 0.0012 -0.1688
11117
108 -29.02457 0.0019 0.0004 0.1688
11118
109 -29.02455 -0.0066 -0.0011 0.1689
11119
110 -29.02455 -0.0024 -0.0004 -0.1689
11120
111 -29.00455 -0.3868 -0.0733 0.0001
11121
112 -29.00454 0.3868 0.0733 -0.0001
11122
113 -29.00425 0.3978 0.0752 -0.0001
11123
114 -29.00424 -0.3978 -0.0752 0.0001
11124
115 -26.15001 0.1079 0.0301 -0.0070
11125
116 -26.15001 -0.1079 -0.0301 0.0070
11126
117 -26.13654 0.1139 -0.0047 0.0707
11127
118 -26.13654 -0.1133 0.0048 -0.0707
11128
119 -26.13444 -0.1112 -0.0035 -0.0371
11129
120 -26.13444 0.1105 0.0034 0.0371
11130
121 -26.10100 0.0316 -0.0369 0.0036
11131
122 -26.10100 -0.0312 0.0370 -0.0036
11132
123 -26.08895 0.0063 -0.0236 -0.3750
11133
124 -26.08895 -0.0069 0.0235 0.3751
11134
125 -26.08453 -0.0221 -0.0010 0.4794
11135
126 -26.08453 0.0214 0.0009 -0.4795
11136
127 -26.08420 0.0235 -0.0014 -0.5326
11137
128 -26.08420 -0.0212 0.0017 0.5328
11138
129 -26.08232 -0.1547 0.1001 0.0691
11139
130 -26.08232 0.1530 -0.1003 -0.0693
11140
131 -26.07528 0.3951 0.0931 0.0106
11141
132 -26.07528 -0.3955 -0.0932 -0.0107
11142
133 -26.07090 -0.3831 -0.1096 -0.0193
11143
134 -26.07089 0.3838 0.1097 0.0193
11144
135 -26.06390 0.1457 0.0296 -0.1291
11145
136 -26.06388 -0.1475 -0.0293 0.1302
11146
137 -26.06365 -0.1178 -0.0347 0.2106
11147
138 -26.06364 0.1175 0.0339 -0.2130
11148
139 -26.06319 -0.0733 -0.0117 -0.1252
11149
140 -26.06319 0.0755 0.0121 0.1265
11150
141 -26.04947 0.5352 0.1155 -0.0004
11151
142 -26.04947 -0.5353 -0.1155 0.0004
11152
143 -26.03387 0.0229 -0.0050 -0.3850
11153
144 -26.03387 -0.0184 0.0056 0.3851
11154
145 -26.03372 -0.0199 0.0052 0.3846
11155
146 -26.03372 0.0151 -0.0058 -0.3847
11156
147 -26.02148 -0.4793 -0.1185 0.0024
11157
148 -26.02147 0.4795 0.1185 -0.0024
11158
149 -26.02091 0.5232 0.1246 -0.0020
11159
150 -26.02091 -0.5232 -0.1245 0.0020
11160
151 -18.92799 -0.9803 -0.1779 0.0861
11161
152 -18.92799 0.9803 0.1779 -0.0861
11162
153 -18.85206 -0.9848 -0.1738 0.0032
11163
154 -18.85206 0.9848 0.1738 -0.0032
11164
155 -18.83205 0.9848 0.1735 0.0007
11165
156 -18.83205 -0.9848 -0.1735 -0.0007
11166
157 -18.27504 -0.9847 -0.1741 -0.0000
11167
158 -18.27504 0.9847 0.1741 0.0000
11168
159 -18.05890 -0.9847 -0.1737 0.0003
11169
160 -18.05890 0.9847 0.1737 -0.0003
11170
161 -17.86099 -0.9848 -0.1734 0.0017
11171
162 -17.86099 0.9848 0.1734 -0.0017
11172
163 -17.44162 -0.9846 -0.1737 0.0003
11173
164 -17.44162 0.9846 0.1737 -0.0003
11174
165 -17.19000 -0.9847 -0.1734 0.0009
11175
166 -17.19000 0.9847 0.1734 -0.0009
11176
167 -17.07076 -0.9845 -0.1740 0.0007
11177
168 -17.07076 0.9845 0.1740 -0.0007
11178
169 -14.82705 -0.9845 -0.1746 -0.0010
11179
170 -14.82705 0.9845 0.1746 0.0010
11180
171 -14.58359 0.9837 0.1788 -0.0014
11181
172 -14.58359 -0.9837 -0.1788 0.0014
11182
173 -14.39232 0.9846 0.1739 0.0001
11183
174 -14.39232 -0.9846 -0.1739 -0.0001
11184
175 -13.40698 -0.9855 -0.1695 0.0010
11185
176 -13.40698 0.9855 0.1695 -0.0010
11186
177 -13.20775 0.9854 0.1703 0.0023
11187
178 -13.20775 -0.9854 -0.1703 -0.0023
11188
179 -13.09397 0.9847 0.1741 0.0017
11189
180 -13.09397 -0.9847 -0.1741 -0.0017
11190
181 -7.66516 -0.8762 0.0377 0.0965
11191
182 -7.66516 0.8762 -0.0377 -0.0965
11192
183 -7.45082 -0.8140 -0.1070 0.0030
11193
184 -7.45082 0.8140 0.1070 -0.0030
11194
185 -7.25767 -0.6045 -0.1067 0.0008
11195
186 -7.25767 0.6045 0.1067 -0.0008
11196
187 -6.88535 -0.4952 -0.1210 0.0011
11197
188 -6.88535 0.4952 0.1210 -0.0011
11198
189 -6.84311 -0.1829 -0.0392 -0.0017
11199
190 -6.84311 0.1829 0.0392 0.0017
11200
191 -6.62527 0.4123 0.0741 -0.0013
11201
192 -6.62523 -0.4123 -0.0741 0.0013
11202
193 -6.59186 -0.3307 -0.0597 0.0030
11203
194 -6.59183 0.3308 0.0597 -0.0030
11204
195 -6.45858 0.2852 0.0992 -0.0541
11205
196 -6.45858 -0.3400 -0.0741 0.0726
11206
197 -6.45453 -0.0853 0.0106 0.1467
11207
198 -6.45453 0.0879 -0.0100 -0.1474
11208
199 -6.39881 0.0048 0.0013 0.0174
11209
200 -6.39881 0.0009 -0.0004 -0.0175
11210
201 -6.39543 -0.0291 0.0077 -0.0242
11211
202 -6.39542 0.0297 -0.0076 0.0244
11212
203 -6.27942 0.3077 0.0582 -0.0106
11213
204 -6.27941 -0.3135 -0.0591 0.0105
11214
205 -6.23465 -0.2931 -0.0557 -0.0142
11215
206 -6.23465 0.2858 0.0545 0.0143
11216
207 -6.06767 -0.3362 -0.0489 -0.0015
11217
208 -6.06767 0.3403 0.0497 0.0016
11218
209 -5.98900 0.2909 0.0448 -0.0635
11219
210 -5.98899 -0.2880 -0.0442 0.0635
11220
211 -5.95365 0.0139 0.0064 0.5682
11221
212 -5.95365 -0.0123 -0.0061 -0.5683
11222
213 -5.89538 0.0008 -0.0024 0.5130
11223
214 -5.89538 -0.0015 0.0023 -0.5130
11224
215 -5.78436 0.1640 0.0312 -0.0094
11225
216 -5.78436 -0.1640 -0.0312 0.0094
11226
217 -5.68804 -0.0824 -0.0127 0.0016
11227
218 -5.68804 0.0817 0.0125 -0.0017
11228
219 -5.42694 0.8165 0.1481 0.0094
11229
220 -5.42689 -0.7908 -0.1434 -0.0090
11230
221 -5.40434 -0.1110 -0.0217 -0.0332
11231
222 -5.40431 0.0893 0.0177 0.0327
11232
223 -5.36654 -0.4159 -0.0419 -0.0503
11233
224 -5.36653 0.4099 0.0409 0.0502
11234
225 -5.34621 -0.0913 -0.0082 0.0797
11235
226 -5.34621 0.0926 0.0084 -0.0795
11236
227 -5.28000 0.0004 -0.0025 -0.5653
11237
228 -5.28000 0.0000 0.0026 0.5653
11238
229 -5.25001 0.0018 0.0029 -0.4798
11239
230 -5.25001 -0.0021 -0.0029 0.4798
11240
231 -5.01420 -0.6596 -0.0755 0.0089
11241
232 -5.01420 0.6604 0.0757 -0.0089
11242
233 -4.82865 -0.5799 -0.1063 -0.0004
11243
234 -4.82864 0.5612 0.1029 0.0004
11244
235 -4.77471 0.5854 0.0980 -0.0008
11245
236 -4.77470 -0.5646 -0.0944 0.0008
11246
237 -4.38161 0.6724 0.1164 -0.0006
11247
238 -4.38160 -0.6695 -0.1159 0.0006
11248
239 -4.24213 0.4576 0.0792 -0.0001
11249
240 -4.24213 -0.4559 -0.0788 0.0001
11250
241 -3.99106 -0.3060 -0.0550 0.0008
11251
242 -3.99106 0.3079 0.0553 -0.0008
11252
243 -3.84188 -0.2820 -0.0540 0.0047
11253
244 -3.84188 0.2844 0.0545 -0.0047
11254
245 -3.75712 0.2765 0.0489 -0.0029
11255
246 -3.75712 -0.2722 -0.0481 0.0029
11256
247 -2.98053 0.4646 0.0807 0.0007
11257
248 -2.98053 -0.4683 -0.0814 -0.0007
11258
249 -2.79739 0.4626 0.0909 -0.0017
11259
250 -2.79739 -0.4650 -0.0913 0.0017
11260
251 -2.59645 0.4964 0.0847 0.0006
11261
252 -2.59644 -0.4978 -0.0850 -0.0006
11262
253 -2.17608 0.0006 0.0012 0.4761
11263
254 -2.17608 0.0010 -0.0009 -0.4761
11264
255 -2.03659 0.0019 -0.0007 -0.3271
11265
256 -2.03659 0.0002 0.0011 0.3271
11266
257 -1.92635 0.0011 -0.0000 -0.5757
11267
258 -1.92635 0.0011 0.0004 0.5757
11268
259 -1.32853 0.5832 0.0489 0.0173
11269
260 -1.32853 -0.5861 -0.0494 -0.0173
11270
261 -1.16533 -0.5656 -0.0868 -0.0099
11271
262 -1.16533 0.5637 0.0864 0.0099
11272
263 -1.07996 0.0089 0.0034 0.7973
11273
264 -1.07996 -0.0094 -0.0035 -0.7973
11274
265 -1.00856 -0.5741 -0.0782 -0.0143
11275
266 -1.00856 0.5722 0.0779 0.0143
11276
267 -0.96021 -0.0012 -0.0205 -0.5382
11277
268 -0.96021 0.0004 0.0204 0.5382
11278
269 -0.89542 0.0023 -0.0009 0.8055
11279
270 -0.89542 -0.0020 0.0009 -0.8056
11280
271 5.79077 -1.0807 -0.1901 -0.0004
11281
272 5.79077 1.0815 0.1903 0.0004
11282
273 6.10218 -1.0439 -0.1851 -0.0004
11283
274 6.10218 1.0449 0.1852 0.0004
11284
275 6.29161 -1.1354 -0.2042 0.0087
11285
276 6.29161 1.1365 0.2043 -0.0087
11286
277 6.93488 -1.4376 -0.2532 -0.0061
11287
278 6.93488 1.4355 0.2528 0.0061
11288
279 7.01688 -1.5125 -0.2621 -0.0053
11289
280 7.01688 1.5104 0.2617 0.0053
11290
281 7.22958 -1.2612 -0.2237 0.0009
11291
282 7.22958 1.2611 0.2237 -0.0009
11292
283 7.49591 1.2348 0.2145 0.0074
11293
284 7.49591 -1.2328 -0.2142 -0.0074
11294
285 7.62586 1.3064 0.2324 0.0024
11295
286 7.62586 -1.3046 -0.2321 -0.0024
11296
287 8.17015 -1.6537 -0.2912 0.0064
11297
288 8.17016 1.6524 0.2909 -0.0064
11298
289 9.13982 -1.3592 -0.2419 -0.0322
11299
290 9.13984 1.3556 0.2412 0.0322
11300
291 9.39342 0.1248 0.0242 0.0466
11301
292 9.39344 -0.1236 -0.0241 -0.0465
11302
293 9.53547 0.0196 0.0247 -1.0769
11303
294 9.53547 -0.0196 -0.0247 1.0767
11304
295 9.68208 -1.3514 -0.2373 -0.1032
11305
296 9.68209 1.3470 0.2365 0.1032
11306
297 9.82357 0.0159 0.0037 -0.0477
11307
298 9.82357 -0.0141 -0.0034 0.0477
11308
299 10.01970 0.0031 -0.0092 1.0711
11309
300 10.01970 -0.0028 0.0092 -1.0710
11310
301 10.37767 0.9713 0.1740 0.0035
11311
302 10.37770 -0.9752 -0.1747 -0.0035
11312
303 10.51254 0.6258 0.1016 -0.1451
11313
304 10.51256 -0.6252 -0.1016 0.1448
11314
305 10.64118 -1.1168 -0.2024 0.1251
11315
306 10.64119 1.1156 0.2022 -0.1248
11316
307 11.53331 1.1484 0.2026 -0.0242
11317
308 11.53334 -1.1446 -0.2019 0.0242
11318
309 11.81248 0.5856 0.1028 -0.0491
11319
310 11.81249 -0.5868 -0.1030 0.0491
11320
311 12.14114 -0.8321 -0.1469 0.0304
11321
312 12.14118 0.8302 0.1466 -0.0302
11322
313 12.89874 0.0535 0.0057 -0.0169
11323
314 12.89875 -0.0443 -0.0042 0.0167
11324
315 13.11164 0.0410 0.0193 0.9554
11325
316 13.11164 -0.0446 -0.0200 -0.9553
11326
317 13.46324 0.0200 0.0039 0.0187
11327
318 13.46324 -0.0191 -0.0038 -0.0187
11328
319 14.20760 0.0298 0.0037 -0.1783
11329
320 14.20760 -0.0296 -0.0037 0.1783
11330
321 14.71849 -0.0143 -0.0020 -0.3165
11331
322 14.71849 0.0157 0.0022 0.3165
11332
323 14.81630 -0.1125 -0.0216 0.0096
11333
324 14.81634 0.1107 0.0212 -0.0095
11334
325 14.96786 0.1843 0.0377 0.0368
11335
326 14.96791 -0.1825 -0.0374 -0.0369
11336
327 15.05358 -0.5772 -0.1210 -0.0387
11337
328 15.05360 0.5816 0.1218 0.0387
11338
329 15.19598 -0.3280 -0.0952 0.3736
11339
330 15.19602 0.3150 0.0934 -0.3733
11340
331 15.19864 0.0133 0.0073 -0.3929
11341
332 15.19867 0.0011 -0.0053 0.3927
11342
333 15.31947 0.0237 0.0042 0.0103
11343
334 15.31948 -0.0248 -0.0044 -0.0103
11344
335 15.82480 -0.0002 -0.0021 0.6014
11345
336 15.82480 0.0003 0.0021 -0.6014
11346
337 16.24874 0.9708 0.1773 -0.0030
11347
338 16.24875 -0.9751 -0.1781 0.0029
11348
339 16.62884 0.6580 0.1149 -0.0062
11349
340 16.62884 -0.6624 -0.1157 0.0062
11350
341 17.18374 -0.3340 -0.0572 0.0144
11351
342 17.18375 0.3355 0.0575 -0.0144
11352
343 17.55407 0.0020 -0.0019 -0.8816
11353
344 17.55407 0.0017 0.0025 0.8816
11354
345 17.75057 -1.1783 -0.1574 -0.0425
11355
346 17.75058 1.1737 0.1565 0.0425
11356
347 18.23478 -0.1999 -0.0376 0.1342
11357
348 18.23479 0.1998 0.0376 -0.1342
11358
349 18.53850 0.0067 -0.0021 -0.8092
11359
350 18.53850 -0.0055 0.0023 0.8092
11360
351 18.76555 -0.0010 -0.0002 0.9466
11361
352 18.76555 0.0011 0.0002 -0.9465
11362
353 19.21119 -0.0190 -0.0038 -0.2315
11363
354 19.21119 -0.0143 -0.0020 0.2316
11364
355 19.24866 -0.0244 -0.0130 -0.1987
11365
356 19.24866 0.0599 0.0193 0.1986
11366
357 19.44127 0.0202 0.0061 0.0549
11367
358 19.44127 -0.0203 -0.0061 -0.0549
11368
359 19.75416 0.0041 0.0000 -1.1712
11369
360 19.75416 -0.0047 -0.0001 1.1713
11370
361 20.20255 -0.0007 0.0005 0.5929
11371
362 20.20255 0.0001 -0.0006 -0.5929
11372
363 20.51025 0.0171 0.0051 0.7596
11373
364 20.51025 -0.0176 -0.0052 -0.7596
11374
365 21.07648 -0.0005 0.0036 -0.7929
11375
366 21.07648 0.0003 -0.0037 0.7929
11376
367 21.26308 -0.7699 -0.1274 0.0114
11377
368 21.26309 0.7689 0.1273 -0.0113
11378
369 21.33945 0.7317 0.1280 -0.0075
11379
370 21.33946 -0.7303 -0.1278 0.0074
11380
371 21.78861 0.7752 0.1359 -0.0002
11381
372 21.78861 -0.7750 -0.1358 0.0002
11382
373 25.90995 -1.2088 -0.2125 -0.0074
11383
374 25.90995 1.2085 0.2124 0.0074
11384
375 27.95818 1.1456 0.1953 -0.0013
11385
376 27.95818 -1.1452 -0.1953 0.0013
11386
377 31.13796 -1.1425 -0.2021 0.0012
11387
378 31.13796 1.1430 0.2022 -0.0011
11388
379 39.40581 0.6876 0.1211 0.0002
11389
380 39.40581 -0.6873 -0.1210 -0.0002
11390
381 42.22538 -0.8354 -0.1428 -0.0073
11391
382 42.22538 0.8355 0.1428 0.0073
11392
383 46.54510 0.8867 0.1559 0.0005
11393
384 46.54510 -0.8869 -0.1559 -0.0005
11394
385 50.27645 -0.8580 -0.1511 0.0031
11395
386 50.27645 0.8580 0.1511 -0.0031
11396
387 52.16722 -0.8020 -0.1402 0.0032
11397
388 52.16722 0.8020 0.1402 -0.0032
11398
389 53.96639 -0.7696 -0.1357 0.0117
11399
390 53.96639 0.7697 0.1357 -0.0117
11400
11401
k-point 30 ( 0.001649 -0.004530 0.000000 ) (Bohr^-1)
11402
ie e(eV) Sx Sy Sz
11403
1 -51.72595 -0.2633 -0.3571 -0.0250
11404
2 -51.72595 0.2632 0.3570 0.0250
11405
3 -51.67055 0.3860 0.1153 0.0222
11406
4 -51.67053 -0.3844 -0.1169 -0.0228
11407
5 -51.66991 -0.3940 -0.1485 0.0083
11408
6 -51.66986 0.3942 0.1489 -0.0083
11409
7 -51.66903 -0.1932 0.1494 0.0882
11410
8 -51.66891 0.2034 -0.1569 -0.1036
11411
9 -51.66712 0.0337 -0.0175 0.2187
11412
10 -51.66702 -0.0446 0.0268 -0.2042
11413
11 -51.66347 0.3257 0.1668 0.0053
11414
12 -51.66336 -0.3251 -0.1668 -0.0042
11415
13 -51.65083 0.0467 -0.0046 0.3839
11416
14 -51.65081 -0.0500 0.0035 -0.3833
11417
15 -51.62123 -0.0262 0.0106 -0.3681
11418
16 -51.62122 0.0279 -0.0100 0.3679
11419
17 -51.61745 0.2680 0.2979 -0.0589
11420
18 -51.61732 -0.2699 -0.3009 0.0568
11421
19 -51.61430 0.3154 -0.0760 0.0719
11422
20 -51.61414 -0.3185 0.0778 -0.0691
11423
21 -51.61141 -0.0130 -0.3502 -0.0833
11424
22 -51.61138 0.0078 0.3497 0.0846
11425
23 -51.60396 -0.0157 0.0097 -0.1808
11426
24 -51.60393 0.0214 -0.0092 0.1795
11427
25 -51.60082 -0.0226 0.0116 -0.2808
11428
26 -51.60079 0.0284 -0.0102 0.2801
11429
27 -51.58233 0.0464 -0.0086 0.1036
11430
28 -51.58232 -0.0479 0.0082 -0.1036
11431
29 -51.26113 0.2705 -0.0519 -0.0368
11432
30 -51.26102 -0.2820 0.0498 0.0408
11433
31 -51.25336 -0.0906 -0.0030 -0.3564
11434
32 -51.25328 0.1018 0.0051 0.3523
11435
33 -51.25218 -0.3849 -0.1091 0.0218
11436
34 -51.25209 0.3885 0.1102 -0.0221
11437
35 -51.22184 0.0287 -0.0116 0.3658
11438
36 -51.22182 -0.0321 0.0106 -0.3655
11439
37 -50.84149 0.4933 0.3701 -0.0042
11440
38 -50.84149 -0.4933 -0.3701 0.0042
11441
39 -50.80217 0.1236 -0.0361 -0.1653
11442
40 -50.80215 -0.1225 0.0365 0.1655
11443
41 -50.78402 -0.4401 -0.4282 0.0295
11444
42 -50.78392 0.4279 0.4320 -0.0380
11445
43 -50.78355 0.4468 0.4239 -0.0261
11446
44 -50.78345 -0.4285 -0.4397 0.0473
11447
45 -50.78294 0.0001 -0.0504 -0.3418
11448
46 -50.78292 -0.0084 0.0615 0.3281
11449
47 -50.77954 -0.0570 -0.1615 0.1470
11450
48 -50.77945 0.0564 0.1690 -0.1461
11451
49 -50.76954 0.6360 -0.1684 -0.0870
11452
50 -50.76937 -0.6477 0.1539 0.0821
11453
51 -50.76473 -0.1379 0.1096 0.2295
11454
52 -50.76463 0.1473 -0.1050 -0.2253
11455
53 -50.75070 -0.4635 0.0865 0.0268
11456
54 -50.75054 0.4610 -0.0941 -0.0219
11457
55 -50.74878 0.0226 -0.0148 -0.4762
11458
56 -50.74875 -0.0083 0.0064 0.4853
11459
57 -50.74856 0.1015 -0.0361 0.1565
11460
58 -50.74850 -0.1222 0.0557 -0.1650
11461
59 -50.74818 0.1731 -0.0493 -0.0460
11462
60 -50.74813 -0.1560 0.0501 0.0415
11463
61 -50.73809 -0.0570 -0.0836 0.2743
11464
62 -50.73807 0.0555 0.0825 -0.2737
11465
63 -50.73671 -0.1697 -0.1155 0.1134
11466
64 -50.73668 0.1689 0.1162 -0.1153
11467
65 -50.71703 -0.2191 0.0770 -0.3278
11468
66 -50.71698 0.2191 -0.0798 0.3319
11469
67 -50.71107 0.5166 -0.0216 0.1361
11470
68 -50.71102 -0.5140 0.0251 -0.1386
11471
69 -50.70752 0.0800 0.0299 -0.2570
11472
70 -50.70748 -0.0825 -0.0310 0.2569
11473
71 -50.69744 -0.0637 -0.0735 0.4806
11474
72 -50.69740 0.0679 0.0759 -0.4824
11475
73 -50.69359 0.1012 0.0501 -0.2018
11476
74 -50.69353 -0.1058 -0.0522 0.2011
11477
75 -50.69156 -0.5018 -0.0918 -0.1921
11478
76 -50.69153 0.5001 0.0904 0.1939
11479
77 -50.67065 -0.0759 -0.0486 0.3026
11480
78 -50.67063 0.0766 0.0490 -0.3025
11481
79 -50.37978 -0.5037 -0.2630 0.0114
11482
80 -50.37966 0.5052 0.2643 -0.0113
11483
81 -50.36793 0.1212 0.0710 0.0312
11484
82 -50.36781 -0.1138 -0.0696 -0.0318
11485
83 -50.36314 0.4865 0.3075 -0.0432
11486
84 -50.36304 -0.4878 -0.3092 0.0439
11487
85 -50.34545 -0.2537 0.1134 -0.0334
11488
86 -50.34532 0.2462 -0.1159 0.0319
11489
87 -50.34024 0.1264 0.1544 0.0898
11490
88 -50.34013 -0.1352 -0.1571 -0.0891
11491
89 -50.32249 -0.2062 -0.0636 0.1115
11492
90 -50.32236 0.2149 0.0677 -0.1107
11493
91 -29.08020 0.0014 0.0002 -0.2080
11494
92 -29.08020 -0.0014 -0.0002 0.2080
11495
93 -29.07569 -0.0025 -0.0006 0.0774
11496
94 -29.07569 0.0008 -0.0000 -0.0774
11497
95 -29.07495 0.0025 0.0006 -0.0143
11498
96 -29.07495 -0.0007 0.0001 0.0143
11499
97 -29.06417 -0.0016 -0.0000 0.1835
11500
98 -29.06417 0.0015 -0.0001 -0.1835
11501
99 -29.05159 -0.3777 -0.1405 0.0001
11502
100 -29.05159 0.3778 0.1405 -0.0001
11503
101 -29.04910 0.3769 0.1391 0.0003
11504
102 -29.04909 -0.3769 -0.1391 -0.0003
11505
103 -29.04705 0.3734 0.1455 0.0008
11506
104 -29.04705 -0.3734 -0.1455 -0.0008
11507
105 -29.03333 -0.3737 -0.1404 -0.0002
11508
106 -29.03333 0.3737 0.1404 0.0002
11509
107 -29.02457 0.0067 0.0023 -0.1607
11510
108 -29.02457 0.0018 0.0007 0.1607
11511
109 -29.02455 -0.0062 -0.0021 0.1608
11512
110 -29.02455 -0.0024 -0.0009 -0.1608
11513
111 -29.00455 -0.3689 -0.1396 0.0000
11514
112 -29.00454 0.3689 0.1396 -0.0000
11515
113 -29.00425 0.3793 0.1433 -0.0000
11516
114 -29.00423 -0.3793 -0.1433 0.0000
11517
115 -26.15001 0.1008 0.0477 -0.0081
11518
116 -26.15001 -0.1008 -0.0478 0.0081
11519
117 -26.13654 0.1125 0.0130 0.0856
11520
118 -26.13654 -0.1119 -0.0128 -0.0856
11521
119 -26.13444 -0.1084 -0.0218 -0.0453
11522
120 -26.13444 0.1078 0.0216 0.0453
11523
121 -26.10100 0.0263 -0.0401 0.0041
11524
122 -26.10100 -0.0259 0.0402 -0.0041
11525
123 -26.08895 0.0022 -0.0249 -0.3056
11526
124 -26.08895 -0.0027 0.0247 0.3056
11527
125 -26.08453 -0.0205 -0.0045 0.4047
11528
126 -26.08453 0.0198 0.0042 -0.4047
11529
127 -26.08420 0.0250 0.0028 -0.5156
11530
128 -26.08420 -0.0229 -0.0022 0.5158
11531
129 -26.08232 -0.1527 0.1054 0.0687
11532
130 -26.08232 0.1511 -0.1059 -0.0689
11533
131 -26.07528 0.3795 0.1627 0.0090
11534
132 -26.07528 -0.3799 -0.1629 -0.0090
11535
133 -26.07090 -0.3630 -0.1751 -0.0157
11536
134 -26.07089 0.3637 0.1753 0.0157
11537
135 -26.06390 0.1364 0.0530 -0.1082
11538
136 -26.06388 -0.1380 -0.0528 0.1084
11539
137 -26.06365 -0.1127 -0.0537 0.2084
11540
138 -26.06363 0.1123 0.0526 -0.2110
11541
139 -26.06319 -0.0729 -0.0202 -0.0576
11542
140 -26.06319 0.0750 0.0211 0.0599
11543
141 -26.04947 0.5124 0.2088 -0.0003
11544
142 -26.04947 -0.5124 -0.2088 0.0003
11545
143 -26.03387 0.0219 -0.0016 -0.3528
11546
144 -26.03387 -0.0176 0.0029 0.3528
11547
145 -26.03372 -0.0192 0.0021 0.3507
11548
146 -26.03372 0.0147 -0.0034 -0.3508
11549
147 -26.02148 -0.4578 -0.2019 0.0021
11550
148 -26.02147 0.4579 0.2019 -0.0021
11551
149 -26.02091 0.4993 0.2153 -0.0017
11552
150 -26.02090 -0.4994 -0.2152 0.0017
11553
151 -18.92799 -0.9352 -0.3459 0.0759
11554
152 -18.92799 0.9352 0.3459 -0.0759
11555
153 -18.85206 -0.9396 -0.3422 0.0035
11556
154 -18.85206 0.9396 0.3422 -0.0035
11557
155 -18.83205 0.9397 0.3419 -0.0000
11558
156 -18.83205 -0.9397 -0.3419 0.0000
11559
157 -18.27504 -0.9395 -0.3424 -0.0001
11560
158 -18.27504 0.9395 0.3424 0.0001
11561
159 -18.05890 -0.9396 -0.3420 0.0002
11562
160 -18.05890 0.9396 0.3420 -0.0002
11563
161 -17.86099 -0.9397 -0.3418 0.0012
11564
162 -17.86099 0.9397 0.3418 -0.0012
11565
163 -17.44162 -0.9395 -0.3420 0.0002
11566
164 -17.44162 0.9395 0.3420 -0.0002
11567
165 -17.19000 -0.9396 -0.3417 0.0007
11568
166 -17.19000 0.9396 0.3417 -0.0007
11569
167 -17.07076 -0.9394 -0.3423 0.0006
11570
168 -17.07076 0.9394 0.3423 -0.0006
11571
169 -14.82705 -0.9392 -0.3429 -0.0007
11572
170 -14.82705 0.9392 0.3429 0.0007
11573
171 -14.58359 0.9379 0.3465 -0.0008
11574
172 -14.58359 -0.9379 -0.3465 0.0008
11575
173 -14.39232 0.9394 0.3423 0.0002
11576
174 -14.39232 -0.9394 -0.3423 -0.0002
11577
175 -13.40698 -0.9411 -0.3379 -0.0001
11578
176 -13.40698 0.9411 0.3379 0.0001
11579
177 -13.20775 0.9408 0.3389 0.0028
11580
178 -13.20775 -0.9408 -0.3389 -0.0028
11581
179 -13.09397 0.9395 0.3424 0.0015
11582
180 -13.09397 -0.9395 -0.3424 -0.0015
11583
181 -7.66516 -0.8726 -0.0992 0.0872
11584
182 -7.66516 0.8726 0.0992 -0.0872
11585
183 -7.45082 -0.7833 -0.2462 -0.0018
11586
184 -7.45082 0.7833 0.2462 0.0018
11587
185 -7.25768 -0.5768 -0.2101 0.0011
11588
186 -7.25767 0.5768 0.2101 -0.0011
11589
187 -6.88535 -0.4671 -0.2046 0.0020
11590
188 -6.88535 0.4671 0.2046 -0.0020
11591
189 -6.84311 -0.1736 -0.0705 -0.0009
11592
190 -6.84311 0.1736 0.0705 0.0009
11593
191 -6.62527 0.3935 0.1447 -0.0022
11594
192 -6.62524 -0.3936 -0.1447 0.0022
11595
193 -6.59185 -0.3157 -0.1164 0.0052
11596
194 -6.59182 0.3158 0.1164 -0.0052
11597
195 -6.45858 0.2912 0.1534 -0.0810
11598
196 -6.45857 -0.3122 -0.1272 0.1149
11599
197 -6.45454 -0.0437 0.0065 0.2025
11600
198 -6.45453 0.0462 -0.0054 -0.2037
11601
199 -6.39878 0.0021 0.0011 0.0026
11602
200 -6.39877 0.0033 0.0008 -0.0027
11603
201 -6.39546 -0.0148 0.0038 -0.0184
11604
202 -6.39545 0.0153 -0.0035 0.0187
11605
203 -6.27942 0.2931 0.1104 -0.0134
11606
204 -6.27941 -0.2987 -0.1123 0.0132
11607
205 -6.23465 -0.2783 -0.1055 -0.0184
11608
206 -6.23465 0.2714 0.1032 0.0184
11609
207 -6.06767 -0.3230 -0.1064 -0.0041
11610
208 -6.06767 0.3269 0.1079 0.0042
11611
209 -5.98900 0.2817 0.0947 -0.0675
11612
210 -5.98900 -0.2789 -0.0938 0.0675
11613
211 -5.95365 0.0154 0.0014 0.5625
11614
212 -5.95365 -0.0138 -0.0009 -0.5626
11615
213 -5.89538 0.0013 -0.0013 0.3537
11616
214 -5.89538 -0.0019 0.0011 -0.3537
11617
215 -5.78436 0.1562 0.0592 -0.0097
11618
216 -5.78436 -0.1562 -0.0593 0.0097
11619
217 -5.68804 -0.0792 -0.0269 0.0023
11620
218 -5.68804 0.0786 0.0265 -0.0023
11621
219 -5.42696 0.7785 0.2876 0.0165
11622
220 -5.42691 -0.7540 -0.2786 -0.0157
11623
221 -5.40432 -0.1052 -0.0406 -0.0570
11624
222 -5.40428 0.0846 0.0328 0.0561
11625
223 -5.36655 -0.4025 -0.1130 -0.0886
11626
224 -5.36653 0.3968 0.1110 0.0886
11627
225 -5.34622 -0.0878 -0.0235 0.1397
11628
226 -5.34621 0.0890 0.0240 -0.1395
11629
227 -5.28000 0.0000 -0.0027 -0.5149
11630
228 -5.28000 0.0004 0.0029 0.5149
11631
229 -5.25001 0.0032 0.0029 -0.1853
11632
230 -5.25001 -0.0035 -0.0029 0.1853
11633
231 -5.01420 -0.6367 -0.1880 0.0078
11634
232 -5.01420 0.6375 0.1882 -0.0078
11635
233 -4.82866 -0.5527 -0.2054 -0.0003
11636
234 -4.82865 0.5347 0.1988 0.0003
11637
235 -4.77471 0.5594 0.1981 -0.0005
11638
236 -4.77470 -0.5396 -0.1910 0.0005
11639
237 -4.38161 0.6420 0.2314 -0.0001
11640
238 -4.38160 -0.6392 -0.2303 0.0001
11641
239 -4.24213 0.4369 0.1575 0.0002
11642
240 -4.24213 -0.4353 -0.1568 -0.0003
11643
241 -3.99106 -0.2918 -0.1073 0.0007
11644
242 -3.99106 0.2937 0.1080 -0.0007
11645
243 -3.84188 -0.2684 -0.1021 0.0041
11646
244 -3.84188 0.2707 0.1031 -0.0041
11647
245 -3.75712 0.2638 0.0963 -0.0025
11648
246 -3.75712 -0.2597 -0.0945 0.0025
11649
247 -2.98053 0.4436 0.1602 0.0010
11650
248 -2.98053 -0.4471 -0.1615 -0.0010
11651
249 -2.79739 0.4399 0.1697 -0.0011
11652
250 -2.79739 -0.4422 -0.1707 0.0011
11653
251 -2.59645 0.4741 0.1696 0.0006
11654
252 -2.59644 -0.4755 -0.1702 -0.0007
11655
253 -2.17608 0.0007 0.0015 0.4312
11656
254 -2.17608 0.0009 -0.0010 -0.4311
11657
255 -2.03659 0.0017 -0.0007 -0.2875
11658
256 -2.03659 0.0003 0.0015 0.2875
11659
257 -1.92635 0.0011 0.0002 -0.4379
11660
258 -1.92635 0.0010 0.0005 0.4379
11661
259 -1.32853 0.5658 0.1484 0.0205
11662
260 -1.32853 -0.5686 -0.1494 -0.0205
11663
261 -1.16533 -0.5420 -0.1837 -0.0154
11664
262 -1.16533 0.5402 0.1830 0.0154
11665
263 -1.07996 0.0084 0.0040 0.9323
11666
264 -1.07996 -0.0088 -0.0041 -0.9323
11667
265 -1.00856 -0.5521 -0.1766 -0.0218
11668
266 -1.00856 0.5503 0.1758 0.0218
11669
267 -0.96021 -0.0044 -0.0203 -0.5498
11670
268 -0.96021 0.0036 0.0200 0.5498
11671
269 -0.89542 0.0032 -0.0008 0.7965
11672
270 -0.89542 -0.0029 0.0009 -0.7966
11673
271 5.79077 -1.0312 -0.3749 -0.0005
11674
272 5.79077 1.0321 0.3752 0.0005
11675
273 6.10218 -0.9959 -0.3635 -0.0005
11676
274 6.10218 0.9968 0.3638 0.0005
11677
275 6.29161 -1.0827 -0.3983 0.0084
11678
276 6.29161 1.0838 0.3987 -0.0084
11679
277 6.93488 -1.3717 -0.4989 -0.0101
11680
278 6.93488 1.3697 0.4982 0.0101
11681
279 7.01688 -1.4440 -0.5206 -0.0074
11682
280 7.01688 1.4420 0.5199 0.0074
11683
281 7.22958 -1.2032 -0.4394 0.0011
11684
282 7.22958 1.2031 0.4393 -0.0011
11685
283 7.49591 1.1788 0.4257 0.0098
11686
284 7.49591 -1.1769 -0.4250 -0.0098
11687
285 7.62586 1.2462 0.4558 0.0077
11688
286 7.62586 -1.2445 -0.4552 -0.0077
11689
287 8.17015 -1.5780 -0.5739 0.0106
11690
288 8.17016 1.5768 0.5735 -0.0106
11691
289 9.13982 -1.2959 -0.4740 -0.0535
11692
290 9.13984 1.2924 0.4728 0.0534
11693
291 9.39341 0.1200 0.0460 0.0801
11694
292 9.39343 -0.1189 -0.0457 -0.0799
11695
293 9.53547 0.0226 0.0214 -1.1068
11696
294 9.53547 -0.0226 -0.0214 1.1066
11697
295 9.68208 -1.2839 -0.4662 -0.1665
11698
296 9.68209 1.2797 0.4647 0.1665
11699
297 9.82357 0.0157 0.0066 -0.0753
11700
298 9.82357 -0.0139 -0.0060 0.0753
11701
299 10.01971 -0.0036 -0.0072 1.0915
11702
300 10.01971 0.0038 0.0073 -1.0913
11703
301 10.37761 0.9268 0.3402 0.0078
11704
302 10.37764 -0.9306 -0.3416 -0.0078
11705
303 10.51265 0.5874 0.2049 -0.2462
11706
304 10.51267 -0.5869 -0.2047 0.2457
11707
305 10.64113 -1.0533 -0.3892 0.2109
11708
306 10.64114 1.0521 0.3888 -0.2103
11709
307 11.53331 1.0954 0.3987 -0.0424
11710
308 11.53333 -1.0917 -0.3975 0.0424
11711
309 11.81245 0.5573 0.2023 -0.0904
11712
310 11.81246 -0.5584 -0.2027 0.0902
11713
311 12.14117 -0.7938 -0.2892 0.0554
11714
312 12.14121 0.7920 0.2886 -0.0551
11715
313 12.89873 0.0493 0.0138 -0.0228
11716
314 12.89875 -0.0404 -0.0107 0.0225
11717
315 13.11164 0.0158 0.0164 1.0381
11718
316 13.11164 -0.0192 -0.0176 -1.0379
11719
317 13.46324 0.0190 0.0073 0.0118
11720
318 13.46324 -0.0182 -0.0072 -0.0118
11721
319 14.20760 0.0290 0.0087 -0.1196
11722
320 14.20760 -0.0288 -0.0086 0.1196
11723
321 14.71849 -0.0136 -0.0041 -0.3316
11724
322 14.71849 0.0149 0.0046 0.3316
11725
323 14.81630 -0.1077 -0.0410 0.0152
11726
324 14.81634 0.1059 0.0403 -0.0151
11727
325 14.96786 0.1756 0.0694 0.0635
11728
326 14.96791 -0.1740 -0.0687 -0.0636
11729
327 15.05359 -0.5415 -0.2169 -0.0660
11730
328 15.05361 0.5457 0.2184 0.0659
11731
329 15.19598 -0.3019 -0.1472 0.5987
11732
330 15.19602 0.2896 0.1433 -0.5983
11733
331 15.19863 0.0053 0.0062 -0.6239
11734
332 15.19867 0.0083 -0.0018 0.6237
11735
333 15.31947 0.0227 0.0083 0.0485
11736
334 15.31948 -0.0237 -0.0087 -0.0485
11737
335 15.82480 -0.0022 -0.0026 0.3509
11738
336 15.82480 0.0022 0.0026 -0.3509
11739
337 16.24874 0.9253 0.3431 -0.0021
11740
338 16.24875 -0.9293 -0.3447 0.0021
11741
339 16.62884 0.6281 0.2274 -0.0088
11742
340 16.62884 -0.6322 -0.2290 0.0088
11743
341 17.18374 -0.3193 -0.1143 0.0150
11744
342 17.18375 0.3208 0.1149 -0.0150
11745
343 17.55407 0.0035 -0.0007 -0.8561
11746
344 17.55407 0.0001 0.0020 0.8561
11747
345 17.75057 -1.1339 -0.3566 -0.0442
11748
346 17.75057 1.1295 0.3549 0.0442
11749
347 18.23478 -0.1913 -0.0716 0.1299
11750
348 18.23479 0.1912 0.0717 -0.1299
11751
349 18.53850 0.0054 -0.0019 -0.7910
11752
350 18.53850 -0.0043 0.0023 0.7909
11753
351 18.76555 -0.0016 0.0005 0.9431
11754
352 18.76555 0.0017 -0.0005 -0.9428
11755
353 19.21118 -0.0184 -0.0049 0.1583
11756
354 19.21119 -0.0134 -0.0066 -0.1582
11757
355 19.24866 -0.0229 -0.0161 -0.2113
11758
356 19.24866 0.0568 0.0285 0.2111
11759
357 19.44127 0.0194 0.0097 0.0728
11760
358 19.44127 -0.0195 -0.0097 -0.0730
11761
359 19.75416 0.0030 -0.0010 -1.2357
11762
360 19.75416 -0.0036 0.0008 1.2358
11763
361 20.20255 -0.0002 0.0004 0.6044
11764
362 20.20255 -0.0003 -0.0006 -0.6044
11765
363 20.51024 0.0179 0.0091 0.5325
11766
364 20.51025 -0.0185 -0.0092 -0.5325
11767
365 21.07648 0.0031 0.0059 -0.8270
11768
366 21.07648 -0.0034 -0.0060 0.8270
11769
367 21.26308 -0.7361 -0.2591 0.0199
11770
368 21.26309 0.7350 0.2587 -0.0198
11771
369 21.33945 0.6983 0.2531 -0.0112
11772
370 21.33946 -0.6969 -0.2527 0.0112
11773
371 21.78861 0.7399 0.2684 -0.0002
11774
372 21.78861 -0.7396 -0.2683 0.0002
11775
373 25.90995 -1.1535 -0.4191 -0.0083
11776
374 25.90995 1.1533 0.4190 0.0083
11777
375 27.95818 1.0943 0.3913 -0.0003
11778
376 27.95818 -1.0939 -0.3911 0.0003
11779
377 31.13796 -1.0901 -0.3974 0.0014
11780
378 31.13796 1.0905 0.3976 -0.0014
11781
379 39.40581 0.6562 0.2386 0.0001
11782
380 39.40581 -0.6558 -0.2385 -0.0001
11783
381 42.22538 -0.7979 -0.2857 -0.0071
11784
382 42.22538 0.7980 0.2857 0.0071
11785
383 46.54510 0.8462 0.3075 -0.0004
11786
384 46.54510 -0.8463 -0.3076 0.0004
11787
385 50.27645 -0.8187 -0.2978 0.0060
11788
386 50.27645 0.8187 0.2978 -0.0060
11789
387 52.16722 -0.7655 -0.2773 0.0046
11790
388 52.16722 0.7655 0.2773 -0.0046
11791
389 53.96639 -0.7342 -0.2672 0.0224
11792
390 53.96639 0.7342 0.2672 -0.0224
11793
11794
k-point 31 ( 0.002411 -0.004175 0.000000 ) (Bohr^-1)
11795
ie e(eV) Sx Sy Sz
11796
1 -51.72595 -0.2530 -0.3692 -0.0174
11797
2 -51.72595 0.2529 0.3691 0.0174
11798
3 -51.67055 0.3719 0.1896 0.0181
11799
4 -51.67053 -0.3708 -0.1910 -0.0186
11800
5 -51.66991 -0.3696 -0.2182 0.0066
11801
6 -51.66986 0.3698 0.2187 -0.0066
11802
7 -51.66902 -0.1856 0.1630 0.0901
11803
8 -51.66893 0.1934 -0.1692 -0.1022
11804
9 -51.66712 0.0289 -0.0144 0.1833
11805
10 -51.66703 -0.0369 0.0225 -0.1719
11806
11 -51.66347 0.3040 0.2211 0.0043
11807
12 -51.66336 -0.3035 -0.2210 -0.0034
11808
13 -51.65083 0.0443 0.0033 0.3370
11809
14 -51.65081 -0.0472 -0.0049 -0.3366
11810
15 -51.62123 -0.0241 0.0077 -0.3396
11811
16 -51.62122 0.0257 -0.0067 0.3395
11812
17 -51.61745 0.2828 0.3580 -0.0467
11813
18 -51.61732 -0.2849 -0.3613 0.0451
11814
19 -51.61430 0.2666 -0.0316 0.0571
11815
20 -51.61414 -0.2691 0.0330 -0.0549
11816
21 -51.61141 -0.0648 -0.3674 -0.0653
11817
22 -51.61138 0.0603 0.3662 0.0663
11818
23 -51.60396 -0.0119 0.0077 -0.1346
11819
24 -51.60393 0.0170 -0.0062 0.1336
11820
25 -51.60082 -0.0188 0.0089 -0.2341
11821
26 -51.60079 0.0240 -0.0066 0.2336
11822
27 -51.58233 0.0401 -0.0015 0.0864
11823
28 -51.58232 -0.0414 0.0008 -0.0864
11824
29 -51.26112 0.2878 -0.0158 -0.0366
11825
30 -51.26103 -0.2981 0.0118 0.0397
11826
31 -51.25335 -0.0851 -0.0187 -0.2997
11827
32 -51.25328 0.0951 0.0226 0.2966
11828
33 -51.25217 -0.3732 -0.1839 0.0180
11829
34 -51.25209 0.3765 0.1856 -0.0182
11830
35 -51.22184 0.0261 -0.0084 0.3296
11831
36 -51.22182 -0.0293 0.0067 -0.3294
11832
37 -50.84149 0.4597 0.4383 -0.0029
11833
38 -50.84149 -0.4597 -0.4383 0.0029
11834
39 -50.80217 0.1019 -0.0188 -0.1289
11835
40 -50.80215 -0.1009 0.0195 0.1290
11836
41 -50.78402 -0.4142 -0.4758 0.0208
11837
42 -50.78392 0.4042 0.4777 -0.0273
11838
43 -50.78355 0.4215 0.4758 -0.0185
11839
44 -50.78344 -0.4084 -0.4899 0.0348
11840
45 -50.78294 -0.0076 -0.0658 -0.3300
11841
46 -50.78293 0.0024 0.0767 0.3194
11842
47 -50.77953 -0.0845 -0.2027 0.1306
11843
48 -50.77946 0.0851 0.2105 -0.1299
11844
49 -50.76953 0.5875 -0.0867 -0.0752
11845
50 -50.76938 -0.5999 0.0697 0.0714
11846
51 -50.76472 -0.1317 0.1178 0.2259
11847
52 -50.76464 0.1406 -0.1115 -0.2227
11848
53 -50.75069 -0.4373 0.0224 0.0230
11849
54 -50.75055 0.4339 -0.0307 -0.0192
11850
55 -50.74878 0.0204 -0.0139 -0.4767
11851
56 -50.74876 -0.0093 0.0074 0.4836
11852
57 -50.74856 0.0871 -0.0248 0.1245
11853
58 -50.74850 -0.1027 0.0424 -0.1310
11854
59 -50.74818 0.1392 -0.0254 -0.0364
11855
60 -50.74813 -0.1237 0.0284 0.0330
11856
61 -50.73809 -0.0599 -0.0925 0.2074
11857
62 -50.73807 0.0584 0.0912 -0.2070
11858
63 -50.73671 -0.1795 -0.1597 0.0957
11859
64 -50.73668 0.1789 0.1603 -0.0972
11860
65 -50.71703 -0.2172 0.0576 -0.3111
11861
66 -50.71698 0.2166 -0.0606 0.3142
11862
67 -50.71107 0.4847 0.0615 0.1155
11863
68 -50.71102 -0.4819 -0.0575 -0.1174
11864
69 -50.70752 0.0750 0.0441 -0.1964
11865
70 -50.70748 -0.0774 -0.0456 0.1963
11866
71 -50.69744 -0.0634 -0.0825 0.3542
11867
72 -50.69739 0.0673 0.0857 -0.3557
11868
73 -50.69360 0.0934 0.0663 -0.1498
11869
74 -50.69353 -0.0977 -0.0692 0.1493
11870
75 -50.69156 -0.4969 -0.1914 -0.1661
11871
76 -50.69153 0.4953 0.1897 0.1675
11872
77 -50.67065 -0.0708 -0.0603 0.2226
11873
78 -50.67063 0.0716 0.0608 -0.2225
11874
79 -50.37978 -0.4832 -0.3561 0.0089
11875
80 -50.37967 0.4848 0.3577 -0.0089
11876
81 -50.36794 0.1091 0.0871 0.0247
11877
82 -50.36781 -0.1025 -0.0845 -0.0252
11878
83 -50.36314 0.4906 0.4136 -0.0351
11879
84 -50.36304 -0.4920 -0.4156 0.0357
11880
85 -50.34545 -0.2066 0.0813 -0.0265
11881
86 -50.34532 0.1998 -0.0850 0.0253
11882
87 -50.34024 0.1320 0.1788 0.0692
11883
88 -50.34013 -0.1400 -0.1829 -0.0687
11884
89 -50.32249 -0.1950 -0.1013 0.0877
11885
90 -50.32236 0.2031 0.1069 -0.0871
11886
91 -29.08020 0.0014 0.0006 -0.1378
11887
92 -29.08020 -0.0014 -0.0006 0.1378
11888
93 -29.07569 -0.0023 -0.0011 0.0614
11889
94 -29.07569 0.0008 0.0002 -0.0614
11890
95 -29.07495 0.0023 0.0011 -0.0107
11891
96 -29.07495 -0.0007 -0.0001 0.0108
11892
97 -29.06417 -0.0014 -0.0003 0.1772
11893
98 -29.06417 0.0013 0.0002 -0.1772
11894
99 -29.05159 -0.3480 -0.2040 0.0001
11895
100 -29.05159 0.3481 0.2041 -0.0001
11896
101 -29.04910 0.3476 0.2024 0.0001
11897
102 -29.04909 -0.3476 -0.2025 -0.0001
11898
103 -29.04705 0.3436 0.2071 0.0009
11899
104 -29.04705 -0.3436 -0.2071 -0.0009
11900
105 -29.03333 -0.3442 -0.2029 -0.0002
11901
106 -29.03333 0.3442 0.2029 0.0002
11902
107 -29.02457 0.0061 0.0034 -0.1398
11903
108 -29.02457 0.0018 0.0011 0.1398
11904
109 -29.02455 -0.0057 -0.0031 0.1401
11905
110 -29.02455 -0.0022 -0.0014 -0.1401
11906
111 -29.00455 -0.3399 -0.2014 -0.0000
11907
112 -29.00454 0.3400 0.2014 0.0000
11908
113 -29.00425 0.3496 0.2068 0.0001
11909
114 -29.00423 -0.3496 -0.2068 -0.0001
11910
115 -26.15001 0.0915 0.0630 -0.0075
11911
116 -26.15001 -0.0915 -0.0630 0.0075
11912
117 -26.13654 0.1075 0.0332 0.0893
11913
118 -26.13654 -0.1070 -0.0329 -0.0893
11914
119 -26.13444 -0.1019 -0.0412 -0.0466
11915
120 -26.13444 0.1013 0.0409 0.0466
11916
121 -26.10100 0.0188 -0.0432 -0.0007
11917
122 -26.10100 -0.0184 0.0434 0.0007
11918
123 -26.08895 -0.0018 -0.0254 -0.2299
11919
124 -26.08895 0.0014 0.0252 0.2299
11920
125 -26.08453 -0.0182 -0.0077 0.3132
11921
126 -26.08453 0.0176 0.0074 -0.3133
11922
127 -26.08420 0.0264 0.0086 -0.4741
11923
128 -26.08420 -0.0245 -0.0076 0.4743
11924
129 -26.08232 -0.1489 0.1137 0.0683
11925
130 -26.08232 0.1474 -0.1144 -0.0685
11926
131 -26.07528 0.3525 0.2271 0.0070
11927
132 -26.07528 -0.3529 -0.2273 -0.0070
11928
133 -26.07090 -0.3337 -0.2327 -0.0119
11929
134 -26.07089 0.3343 0.2331 0.0119
11930
135 -26.06390 0.1236 0.0739 -0.0842
11931
136 -26.06388 -0.1249 -0.0739 0.0839
11932
137 -26.06365 -0.1042 -0.0710 0.1849
11933
138 -26.06363 0.1037 0.0697 -0.1872
11934
139 -26.06319 -0.0684 -0.0293 -0.0085
11935
140 -26.06319 0.0704 0.0306 0.0112
11936
141 -26.04947 0.4742 0.2953 -0.0002
11937
142 -26.04947 -0.4742 -0.2953 0.0002
11938
143 -26.03387 0.0201 0.0025 -0.2978
11939
144 -26.03387 -0.0161 -0.0005 0.2979
11940
145 -26.03372 -0.0177 -0.0016 0.2941
11941
146 -26.03372 0.0136 -0.0004 -0.2941
11942
147 -26.02148 -0.4232 -0.2777 0.0016
11943
148 -26.02148 0.4233 0.2777 -0.0016
11944
149 -26.02091 0.4612 0.2980 -0.0013
11945
150 -26.02090 -0.4612 -0.2979 0.0013
11946
151 -18.92799 -0.8619 -0.5032 0.0620
11947
152 -18.92799 0.8619 0.5032 -0.0620
11948
153 -18.85206 -0.8659 -0.5001 0.0033
11949
154 -18.85206 0.8659 0.5001 -0.0033
11950
155 -18.83205 0.8661 0.4999 -0.0004
11951
156 -18.83205 -0.8661 -0.4999 0.0004
11952
157 -18.27504 -0.8658 -0.5003 -0.0002
11953
158 -18.27504 0.8658 0.5003 0.0002
11954
159 -18.05890 -0.8659 -0.5000 0.0001
11955
160 -18.05890 0.8659 0.5000 -0.0001
11956
161 -17.86099 -0.8661 -0.4998 0.0007
11957
162 -17.86099 0.8661 0.4998 -0.0007
11958
163 -17.44162 -0.8658 -0.5000 0.0001
11959
164 -17.44162 0.8658 0.5000 -0.0001
11960
165 -17.19000 -0.8660 -0.4997 0.0005
11961
166 -17.19000 0.8660 0.4997 -0.0005
11962
167 -17.07076 -0.8657 -0.5002 0.0005
11963
168 -17.07076 0.8657 0.5002 -0.0005
11964
169 -14.82705 -0.8655 -0.5008 -0.0005
11965
170 -14.82705 0.8655 0.5008 0.0005
11966
171 -14.58359 0.8640 0.5033 -0.0003
11967
172 -14.58359 -0.8640 -0.5033 0.0003
11968
173 -14.39232 0.8657 0.5001 0.0003
11969
174 -14.39232 -0.8657 -0.5001 -0.0003
11970
175 -13.40698 -0.8680 -0.4965 -0.0007
11971
176 -13.40698 0.8680 0.4965 0.0007
11972
177 -13.20775 0.8675 0.4974 0.0029
11973
178 -13.20775 -0.8675 -0.4974 -0.0029
11974
179 -13.09397 0.8658 0.5003 0.0013
11975
180 -13.09397 -0.8658 -0.5003 -0.0013
11976
181 -7.66516 -0.8413 -0.2577 0.0737
11977
182 -7.66516 0.8413 0.2577 -0.0737
11978
183 -7.45082 -0.7268 -0.3819 -0.0047
11979
184 -7.45082 0.7268 0.3819 0.0047
11980
185 -7.25768 -0.5316 -0.3071 0.0012
11981
186 -7.25767 0.5316 0.3071 -0.0012
11982
187 -6.88535 -0.4271 -0.2790 0.0023
11983
188 -6.88535 0.4271 0.2790 -0.0023
11984
189 -6.84311 -0.1595 -0.0989 -0.0003
11985
190 -6.84311 0.1595 0.0989 0.0003
11986
191 -6.62527 0.3629 0.2109 -0.0025
11987
192 -6.62524 -0.3629 -0.2109 0.0025
11988
193 -6.59185 -0.2911 -0.1694 0.0060
11989
194 -6.59182 0.2912 0.1695 -0.0060
11990
195 -6.45858 0.2937 0.1709 -0.0889
11991
196 -6.45857 -0.2887 -0.1655 0.1277
11992
197 -6.45454 -0.0193 -0.0125 0.2134
11993
198 -6.45453 0.0218 0.0140 -0.2147
11994
199 -6.39876 0.0015 0.0004 -0.0029
11995
200 -6.39875 0.0035 0.0024 0.0028
11996
201 -6.39548 -0.0079 -0.0032 -0.0155
11997
202 -6.39547 0.0084 0.0035 0.0158
11998
203 -6.27942 0.2702 0.1588 -0.0136
11999
204 -6.27942 -0.2754 -0.1615 0.0135
12000
205 -6.23465 -0.2559 -0.1518 -0.0189
12001
206 -6.23465 0.2495 0.1483 0.0190
12002
207 -6.06767 -0.2994 -0.1620 -0.0053
12003
208 -6.06767 0.3030 0.1642 0.0054
12004
209 -5.98900 0.2654 0.1452 -0.0639
12005
210 -5.98900 -0.2629 -0.1437 0.0639
12006
211 -5.95365 0.0152 -0.0042 0.5561
12007
212 -5.95365 -0.0137 0.0051 -0.5562
12008
213 -5.89538 0.0020 -0.0006 0.1378
12009
214 -5.89538 -0.0026 0.0003 -0.1378
12010
215 -5.78436 0.1438 0.0852 -0.0088
12011
216 -5.78436 -0.1438 -0.0853 0.0088
12012
217 -5.68804 -0.0734 -0.0405 0.0025
12013
218 -5.68804 0.0729 0.0401 -0.0025
12014
219 -5.42697 0.7171 0.4180 0.0191
12015
220 -5.42693 -0.6946 -0.4049 -0.0182
12016
221 -5.40429 -0.0966 -0.0581 -0.0653
12017
222 -5.40426 0.0776 0.0468 0.0643
12018
223 -5.36655 -0.3757 -0.1842 -0.1045
12019
224 -5.36654 0.3705 0.1812 0.1044
12020
225 -5.34622 -0.0820 -0.0371 0.1671
12021
226 -5.34622 0.0831 0.0378 -0.1668
12022
227 -5.28000 -0.0004 -0.0030 -0.4368
12023
228 -5.28000 0.0009 0.0032 0.4368
12024
229 -5.25000 0.0020 0.0018 0.1531
12025
230 -5.25000 -0.0023 -0.0020 -0.1531
12026
231 -5.01421 -0.5925 -0.2993 0.0064
12027
232 -5.01420 0.5932 0.2996 -0.0064
12028
233 -4.82866 -0.5088 -0.2978 -0.0002
12029
234 -4.82865 0.4923 0.2882 0.0001
12030
235 -4.77471 0.5162 0.2927 -0.0003
12031
236 -4.77470 -0.4980 -0.2822 0.0003
12032
237 -4.38161 0.5919 0.3395 0.0003
12033
238 -4.38160 -0.5894 -0.3380 -0.0003
12034
239 -4.24213 0.4029 0.2312 0.0004
12035
240 -4.24213 -0.4013 -0.2301 -0.0004
12036
241 -3.99106 -0.2688 -0.1562 0.0006
12037
242 -3.99106 0.2705 0.1572 -0.0006
12038
243 -3.84188 -0.2469 -0.1466 0.0032
12039
244 -3.84188 0.2490 0.1481 -0.0032
12040
245 -3.75712 0.2431 0.1407 -0.0021
12041
246 -3.75712 -0.2393 -0.1381 0.0021
12042
247 -2.98053 0.4090 0.2348 0.0011
12043
248 -2.98053 -0.4122 -0.2368 -0.0011
12044
249 -2.79739 0.4043 0.2425 -0.0006
12045
250 -2.79739 -0.4064 -0.2439 0.0006
12046
251 -2.59645 0.4373 0.2496 0.0006
12047
252 -2.59644 -0.4386 -0.2506 -0.0006
12048
253 -2.17608 0.0008 0.0018 0.3590
12049
254 -2.17608 0.0006 -0.0010 -0.3590
12050
255 -2.03659 0.0013 -0.0007 -0.2391
12051
256 -2.03659 0.0005 0.0018 0.2391
12052
257 -1.92635 0.0011 0.0004 -0.3594
12053
258 -1.92635 0.0008 0.0007 0.3594
12054
259 -1.32853 0.5291 0.2498 0.0207
12055
260 -1.32853 -0.5317 -0.2513 -0.0208
12056
261 -1.16533 -0.5013 -0.2765 -0.0173
12057
262 -1.16533 0.4996 0.2754 0.0173
12058
263 -1.07996 0.0080 0.0048 0.9741
12059
264 -1.07996 -0.0084 -0.0050 -0.9741
12060
265 -1.00856 -0.5121 -0.2722 -0.0244
12061
266 -1.00856 0.5104 0.2711 0.0244
12062
267 -0.96021 -0.0067 -0.0196 -0.4965
12063
268 -0.96021 0.0060 0.0193 0.4965
12064
269 -0.89542 0.0037 -0.0015 0.7154
12065
270 -0.89542 -0.0035 0.0016 -0.7154
12066
271 5.79077 -0.9505 -0.5483 -0.0005
12067
272 5.79077 0.9512 0.5487 0.0005
12068
273 6.10218 -0.9177 -0.5308 -0.0005
12069
274 6.10218 0.9186 0.5313 0.0005
12070
275 6.29161 -0.9973 -0.5799 0.0073
12071
276 6.29161 0.9983 0.5804 -0.0073
12072
277 6.93488 -1.2643 -0.7295 -0.0115
12073
278 6.93488 1.2624 0.7284 0.0115
12074
279 7.01688 -1.3314 -0.7639 -0.0080
12075
280 7.01688 1.3295 0.7628 0.0080
12076
281 7.22958 -1.1087 -0.6415 0.0012
12077
282 7.22958 1.1086 0.6414 -0.0012
12078
283 7.49591 1.0867 0.6242 0.0102
12079
284 7.49591 -1.0850 -0.6232 -0.0102
12080
285 7.62586 1.1482 0.6650 0.0101
12081
286 7.62586 -1.1466 -0.6642 -0.0101
12082
287 8.17015 -1.4543 -0.8393 0.0121
12083
288 8.17016 1.4532 0.8386 -0.0121
12084
289 9.13982 -1.1937 -0.6915 -0.0609
12085
290 9.13984 1.1905 0.6897 0.0609
12086
291 9.39340 0.1116 0.0655 0.0922
12087
292 9.39343 -0.1105 -0.0651 -0.0920
12088
293 9.53547 0.0270 0.0154 -1.1108
12089
294 9.53547 -0.0271 -0.0154 1.1105
12090
295 9.68208 -1.1814 -0.6803 -0.1878
12091
296 9.68209 1.1775 0.6781 0.1877
12092
297 9.82357 0.0149 0.0091 -0.0849
12093
298 9.82357 -0.0133 -0.0083 0.0849
12094
299 10.01971 -0.0071 -0.0036 1.0937
12095
300 10.01971 0.0073 0.0037 -1.0935
12096
301 10.37758 0.8546 0.4951 0.0095
12097
302 10.37760 -0.8580 -0.4971 -0.0095
12098
303 10.51272 0.5353 0.3056 -0.2818
12099
304 10.51273 -0.5348 -0.3054 0.2811
12100
305 10.64110 -0.9658 -0.5616 0.2406
12101
306 10.64111 0.9647 0.5609 -0.2400
12102
307 11.53331 1.0093 0.5826 -0.0492
12103
308 11.53333 -1.0060 -0.5808 0.0491
12104
309 11.81244 0.5128 0.2956 -0.1063
12105
310 11.81245 -0.5139 -0.2962 0.1061
12106
311 12.14119 -0.7316 -0.4225 0.0650
12107
312 12.14123 0.7299 0.4215 -0.0647
12108
313 12.89873 0.0437 0.0235 -0.0240
12109
314 12.89875 -0.0356 -0.0189 0.0237
12110
315 13.11163 0.0024 0.0295 1.0135
12111
316 13.11163 -0.0055 -0.0313 -1.0133
12112
317 13.46324 0.0176 0.0105 0.0062
12113
318 13.46324 -0.0168 -0.0102 -0.0062
12114
319 14.20759 0.0277 0.0126 -0.0715
12115
320 14.20759 -0.0275 -0.0124 0.0716
12116
321 14.71849 -0.0123 -0.0074 -0.3021
12117
322 14.71849 0.0135 0.0081 0.3021
12118
323 14.81629 -0.0995 -0.0591 0.0171
12119
324 14.81633 0.0979 0.0582 -0.0170
12120
325 14.96787 0.1619 0.0986 0.0730
12121
326 14.96792 -0.1603 -0.0977 -0.0732
12122
327 15.05360 -0.4939 -0.3050 -0.0753
12123
328 15.05362 0.4978 0.3073 0.0752
12124
329 15.19598 -0.2681 -0.1993 0.6569
12125
330 15.19601 0.2569 0.1935 -0.6564
12126
331 15.19863 0.0009 0.0045 -0.6804
12127
332 15.19867 0.0117 0.0021 0.6801
12128
333 15.31947 0.0210 0.0121 0.0670
12129
334 15.31948 -0.0219 -0.0127 -0.0670
12130
335 15.82480 -0.0034 -0.0011 0.2223
12131
336 15.82480 0.0034 0.0011 -0.2223
12132
337 16.24874 0.8520 0.4978 -0.0014
12133
338 16.24875 -0.8558 -0.5001 0.0014
12134
339 16.62884 0.5790 0.3332 -0.0095
12135
340 16.62884 -0.5828 -0.3355 0.0095
12136
341 17.18374 -0.2949 -0.1682 0.0137
12137
342 17.18375 0.2963 0.1692 -0.0137
12138
343 17.55407 0.0057 -0.0019 -0.7591
12139
344 17.55407 -0.0024 0.0038 0.7591
12140
345 17.75057 -1.0529 -0.5519 -0.0407
12141
346 17.75057 1.0489 0.5495 0.0407
12142
347 18.23478 -0.1776 -0.1041 0.1136
12143
348 18.23479 0.1774 0.1042 -0.1136
12144
349 18.53850 0.0040 -0.0002 -0.7481
12145
350 18.53850 -0.0030 0.0008 0.7480
12146
351 18.76555 -0.0020 0.0016 0.9337
12147
352 18.76555 0.0021 -0.0015 -0.9335
12148
353 19.21119 -0.0164 -0.0070 0.3845
12149
354 19.21119 -0.0129 -0.0099 -0.3843
12150
355 19.24866 -0.0212 -0.0185 -0.1966
12151
356 19.24866 0.0524 0.0366 0.1964
12152
357 19.44127 0.0181 0.0133 0.0769
12153
358 19.44127 -0.0181 -0.0133 -0.0770
12154
359 19.75416 0.0018 -0.0005 -1.2886
12155
360 19.75416 -0.0023 0.0002 1.2886
12156
361 20.20255 0.0001 0.0002 0.6073
12157
362 20.20255 -0.0005 -0.0005 -0.6073
12158
363 20.51024 0.0176 0.0127 0.3165
12159
364 20.51024 -0.0181 -0.0129 -0.3165
12160
365 21.07648 0.0073 0.0053 -0.8342
12161
366 21.07648 -0.0076 -0.0054 0.8342
12162
367 21.26308 -0.6794 -0.3837 0.0231
12163
368 21.26309 0.6785 0.3832 -0.0230
12164
369 21.33945 0.6437 0.3706 -0.0123
12165
370 21.33946 -0.6424 -0.3699 0.0123
12166
371 21.78861 0.6820 0.3929 -0.0003
12167
372 21.78861 -0.6817 -0.3927 0.0003
12168
373 25.90995 -1.0632 -0.6131 -0.0079
12169
374 25.90995 1.0630 0.6130 0.0079
12170
375 27.95818 1.0093 0.5760 0.0004
12171
376 27.95818 -1.0089 -0.5758 -0.0004
12172
377 31.13796 -1.0045 -0.5806 0.0014
12173
378 31.13796 1.0050 0.5809 -0.0014
12174
379 39.40581 0.6047 0.3490 0.0001
12175
380 39.40581 -0.6044 -0.3488 -0.0001
12176
381 42.22538 -0.7359 -0.4204 -0.0063
12177
382 42.22538 0.7360 0.4204 0.0063
12178
383 46.54510 0.7799 0.4498 -0.0009
12179
384 46.54510 -0.7800 -0.4499 0.0009
12180
385 50.27645 -0.7545 -0.4354 0.0071
12181
386 50.27645 0.7545 0.4355 -0.0071
12182
387 52.16722 -0.7056 -0.4061 0.0050
12183
388 52.16722 0.7056 0.4061 -0.0050
12184
389 53.96639 -0.6765 -0.3906 0.0266
12185
390 53.96639 0.6765 0.3906 -0.0266
12186
12187
k-point 32 ( 0.003099 -0.003693 0.000000 ) (Bohr^-1)
12188
ie e(eV) Sx Sy Sz
12189
1 -51.72595 -0.2436 -0.3781 -0.0110
12190
2 -51.72595 0.2435 0.3780 0.0110
12191
3 -51.67055 0.3412 0.2643 0.0129
12192
4 -51.67053 -0.3406 -0.2656 -0.0133
12193
5 -51.66991 -0.3321 -0.2827 0.0046
12194
6 -51.66986 0.3323 0.2832 -0.0046
12195
7 -51.66901 -0.1704 0.1874 0.0916
12196
8 -51.66894 0.1755 -0.1921 -0.0999
12197
9 -51.66712 0.0218 -0.0101 0.1344
12198
10 -51.66703 -0.0267 0.0166 -0.1266
12199
11 -51.66347 0.2743 0.2680 0.0031
12200
12 -51.66336 -0.2739 -0.2679 -0.0025
12201
13 -51.65083 0.0394 0.0128 0.2597
12202
14 -51.65081 -0.0420 -0.0150 -0.2595
12203
15 -51.62123 -0.0205 0.0035 -0.2787
12204
16 -51.62122 0.0220 -0.0023 0.2786
12205
17 -51.61745 0.2885 0.4080 -0.0325
12206
18 -51.61732 -0.2907 -0.4116 0.0314
12207
19 -51.61429 0.2070 0.0155 0.0397
12208
20 -51.61414 -0.2087 -0.0146 -0.0382
12209
21 -51.61141 -0.1148 -0.3735 -0.0449
12210
22 -51.61138 0.1110 0.3715 0.0456
12211
23 -51.60396 -0.0079 0.0055 -0.0889
12212
24 -51.60393 0.0121 -0.0031 0.0883
12213
25 -51.60082 -0.0139 0.0056 -0.1699
12214
26 -51.60079 0.0184 -0.0024 0.1695
12215
27 -51.58233 0.0319 0.0060 0.0622
12216
28 -51.58232 -0.0330 -0.0069 -0.0622
12217
29 -51.26111 0.3141 0.0493 -0.0355
12218
30 -51.26105 -0.3228 -0.0549 0.0376
12219
31 -51.25335 -0.0751 -0.0360 -0.2204
12220
32 -51.25328 0.0837 0.0415 0.2183
12221
33 -51.25217 -0.3444 -0.2609 0.0130
12222
34 -51.25209 0.3473 0.2632 -0.0132
12223
35 -51.22184 0.0218 -0.0039 0.2621
12224
36 -51.22182 -0.0246 0.0017 -0.2620
12225
37 -50.84149 0.4203 0.4925 -0.0018
12226
38 -50.84149 -0.4203 -0.4924 0.0018
12227
39 -50.80217 0.0769 -0.0009 -0.0883
12228
40 -50.80215 -0.0760 0.0017 0.0884
12229
41 -50.78402 -0.3862 -0.5119 0.0133
12230
42 -50.78391 0.3785 0.5117 -0.0177
12231
43 -50.78355 0.3934 0.5158 -0.0118
12232
44 -50.78344 -0.3858 -0.5277 0.0229
12233
45 -50.78294 -0.0223 -0.0923 -0.3121
12234
46 -50.78293 0.0205 0.1027 0.3049
12235
47 -50.77953 -0.1172 -0.2478 0.1031
12236
48 -50.77946 0.1190 0.2555 -0.1026
12237
49 -50.76952 0.5000 0.0197 -0.0573
12238
50 -50.76939 -0.5126 -0.0386 0.0548
12239
51 -50.76471 -0.1191 0.1306 0.2182
12240
52 -50.76465 0.1272 -0.1228 -0.2160
12241
53 -50.75069 -0.3837 -0.0604 0.0175
12242
54 -50.75056 0.3796 0.0516 -0.0149
12243
55 -50.74878 0.0180 -0.0132 -0.4768
12244
56 -50.74876 -0.0105 0.0088 0.4815
12245
57 -50.74856 0.0670 -0.0108 0.0869
12246
58 -50.74850 -0.0765 0.0258 -0.0914
12247
59 -50.74818 0.1032 -0.0016 -0.0253
12248
60 -50.74813 -0.0902 0.0069 0.0230
12249
61 -50.73809 -0.0613 -0.0988 0.1390
12250
62 -50.73807 0.0599 0.0973 -0.1387
12251
63 -50.73671 -0.1832 -0.2050 0.0709
12252
64 -50.73668 0.1829 0.2055 -0.0719
12253
65 -50.71702 -0.2066 0.0251 -0.2744
12254
66 -50.71699 0.2057 -0.0282 0.2766
12255
67 -50.71107 0.4252 0.1575 0.0859
12256
68 -50.71102 -0.4224 -0.1531 -0.0872
12257
69 -50.70752 0.0673 0.0572 -0.1322
12258
70 -50.70748 -0.0694 -0.0590 0.1321
12259
71 -50.69744 -0.0617 -0.0891 0.2322
12260
72 -50.69739 0.0654 0.0929 -0.2332
12261
73 -50.69360 0.0833 0.0802 -0.0986
12262
74 -50.69353 -0.0872 -0.0838 0.0982
12263
75 -50.69156 -0.4690 -0.3051 -0.1264
12264
76 -50.69154 0.4674 0.3031 0.1273
12265
77 -50.67065 -0.0643 -0.0699 0.1454
12266
78 -50.67063 0.0650 0.0705 -0.1453
12267
79 -50.37978 -0.4462 -0.4399 0.0061
12268
80 -50.37967 0.4476 0.4417 -0.0061
12269
81 -50.36794 0.0964 0.1002 0.0171
12270
82 -50.36780 -0.0907 -0.0965 -0.0175
12271
83 -50.36314 0.4759 0.5134 -0.0250
12272
84 -50.36304 -0.4774 -0.5156 0.0254
12273
85 -50.34545 -0.1506 0.0450 -0.0184
12274
86 -50.34532 0.1446 -0.0498 0.0176
12275
87 -50.34024 0.1337 0.1977 0.0470
12276
88 -50.34013 -0.1407 -0.2032 -0.0467
12277
89 -50.32249 -0.1757 -0.1377 0.0607
12278
90 -50.32236 0.1831 0.1446 -0.0602
12279
91 -29.08020 0.0013 0.0010 -0.0836
12280
92 -29.08020 -0.0013 -0.0010 0.0836
12281
93 -29.07569 -0.0021 -0.0015 0.0426
12282
94 -29.07569 0.0007 0.0004 -0.0426
12283
95 -29.07495 0.0021 0.0015 -0.0070
12284
96 -29.07495 -0.0006 -0.0003 0.0070
12285
97 -29.06417 -0.0011 -0.0006 0.1573
12286
98 -29.06417 0.0010 0.0005 -0.1573
12287
99 -29.05159 -0.3079 -0.2613 0.0001
12288
100 -29.05159 0.3080 0.2614 -0.0001
12289
101 -29.04910 0.3077 0.2596 0.0000
12290
102 -29.04909 -0.3077 -0.2597 -0.0000
12291
103 -29.04705 0.3042 0.2621 0.0007
12292
104 -29.04705 -0.3042 -0.2621 -0.0007
12293
105 -29.03333 -0.3047 -0.2591 -0.0002
12294
106 -29.03333 0.3047 0.2591 0.0002
12295
107 -29.02457 0.0053 0.0043 -0.1046
12296
108 -29.02457 0.0016 0.0015 0.1046
12297
109 -29.02455 -0.0049 -0.0040 0.1049
12298
110 -29.02455 -0.0020 -0.0018 -0.1049
12299
111 -29.00455 -0.3010 -0.2568 -0.0001
12300
112 -29.00454 0.3010 0.2568 0.0001
12301
113 -29.00425 0.3095 0.2639 0.0001
12302
114 -29.00423 -0.3095 -0.2639 -0.0001
12303
115 -26.15001 0.0806 0.0759 -0.0052
12304
116 -26.15001 -0.0807 -0.0760 0.0052
12305
117 -26.13654 0.0973 0.0554 0.0764
12306
118 -26.13654 -0.0968 -0.0550 -0.0764
12307
119 -26.13444 -0.0908 -0.0608 -0.0389
12308
120 -26.13444 0.0902 0.0604 0.0389
12309
121 -26.10100 0.0079 -0.0454 -0.0141
12310
122 -26.10100 -0.0075 0.0457 0.0141
12311
123 -26.08895 -0.0057 -0.0253 -0.1508
12312
124 -26.08895 0.0053 0.0250 0.1508
12313
125 -26.08453 -0.0153 -0.0106 0.2119
12314
126 -26.08453 0.0147 0.0102 -0.2119
12315
127 -26.08420 0.0269 0.0161 -0.3879
12316
128 -26.08420 -0.0251 -0.0147 0.3880
12317
129 -26.08232 -0.1406 0.1285 0.0679
12318
130 -26.08232 0.1393 -0.1295 -0.0680
12319
131 -26.07528 0.3151 0.2843 0.0048
12320
132 -26.07528 -0.3155 -0.2846 -0.0048
12321
133 -26.07090 -0.2969 -0.2822 -0.0080
12322
134 -26.07089 0.2975 0.2826 0.0080
12323
135 -26.06390 0.1080 0.0922 -0.0577
12324
136 -26.06388 -0.1089 -0.0923 0.0572
12325
137 -26.06365 -0.0930 -0.0865 0.1390
12326
138 -26.06363 0.0924 0.0850 -0.1409
12327
139 -26.06319 -0.0598 -0.0391 0.0150
12328
140 -26.06319 0.0616 0.0408 -0.0126
12329
141 -26.04947 0.4220 0.3724 -0.0001
12330
142 -26.04947 -0.4220 -0.3724 0.0001
12331
143 -26.03387 0.0172 0.0068 -0.2171
12332
144 -26.03387 -0.0137 -0.0041 0.2171
12333
145 -26.03372 -0.0152 -0.0057 0.2125
12334
146 -26.03372 0.0116 0.0029 -0.2126
12335
147 -26.02148 -0.3772 -0.3443 0.0011
12336
148 -26.02148 0.3773 0.3443 -0.0011
12337
149 -26.02090 0.4106 0.3709 -0.0009
12338
150 -26.02090 -0.4106 -0.3709 0.0009
12339
151 -18.92799 -0.7628 -0.6450 0.0446
12340
152 -18.92799 0.7628 0.6450 -0.0446
12341
153 -18.85206 -0.7660 -0.6429 0.0025
12342
154 -18.85206 0.7660 0.6429 -0.0025
12343
155 -18.83205 0.7661 0.6427 -0.0005
12344
156 -18.83205 -0.7661 -0.6427 0.0005
12345
157 -18.27504 -0.7658 -0.6430 -0.0002
12346
158 -18.27504 0.7658 0.6430 0.0002
12347
159 -18.05890 -0.7659 -0.6428 0.0000
12348
160 -18.05890 0.7659 0.6428 -0.0000
12349
161 -17.86099 -0.7661 -0.6426 0.0004
12350
162 -17.86099 0.7661 0.6426 -0.0004
12351
163 -17.44162 -0.7659 -0.6427 0.0001
12352
164 -17.44162 0.7659 0.6427 -0.0001
12353
165 -17.19000 -0.7660 -0.6425 0.0003
12354
166 -17.19000 0.7660 0.6425 -0.0003
12355
167 -17.07076 -0.7657 -0.6429 0.0004
12356
168 -17.07076 0.7657 0.6429 -0.0004
12357
169 -14.82705 -0.7655 -0.6433 -0.0003
12358
170 -14.82705 0.7655 0.6433 0.0003
12359
171 -14.58359 0.7644 0.6446 0.0001
12360
172 -14.58359 -0.7644 -0.6446 -0.0001
12361
173 -14.39232 0.7658 0.6428 0.0002
12362
174 -14.39232 -0.7658 -0.6428 -0.0002
12363
175 -13.40698 -0.7680 -0.6404 -0.0008
12364
176 -13.40698 0.7680 0.6404 0.0008
12365
177 -13.20775 0.7674 0.6411 0.0026
12366
178 -13.20775 -0.7674 -0.6411 -0.0026
12367
179 -13.09397 0.7659 0.6430 0.0009
12368
180 -13.09397 -0.7659 -0.6430 -0.0009
12369
181 -7.66516 -0.7672 -0.4347 0.0547
12370
182 -7.66516 0.7672 0.4347 -0.0547
12371
183 -7.45082 -0.6445 -0.5087 -0.0052
12372
184 -7.45082 0.6445 0.5087 0.0052
12373
185 -7.25768 -0.4703 -0.3947 0.0010
12374
186 -7.25767 0.4703 0.3947 -0.0010
12375
187 -6.88535 -0.3773 -0.3435 0.0020
12376
188 -6.88535 0.3773 0.3435 -0.0020
12377
189 -6.84311 -0.1410 -0.1241 -0.0000
12378
190 -6.84311 0.1410 0.1241 0.0000
12379
191 -6.62528 0.3212 0.2706 -0.0022
12380
192 -6.62524 -0.3212 -0.2706 0.0022
12381
193 -6.59185 -0.2577 -0.2174 0.0052
12382
194 -6.59182 0.2577 0.2174 -0.0052
12383
195 -6.45858 0.2788 0.1787 -0.0798
12384
196 -6.45857 -0.2679 -0.2054 0.1149
12385
197 -6.45454 -0.0141 -0.0424 0.1980
12386
198 -6.45453 0.0163 0.0442 -0.1991
12387
199 -6.39877 0.0024 0.0005 -0.0057
12388
200 -6.39877 0.0020 0.0032 0.0056
12389
201 -6.39546 -0.0051 -0.0125 -0.0142
12390
202 -6.39546 0.0056 0.0128 0.0144
12391
203 -6.27942 0.2397 0.2027 -0.0112
12392
204 -6.27942 -0.2442 -0.2061 0.0110
12393
205 -6.23465 -0.2268 -0.1936 -0.0156
12394
206 -6.23465 0.2212 0.1892 0.0156
12395
207 -6.06767 -0.2654 -0.2135 -0.0049
12396
208 -6.06766 0.2686 0.2163 0.0049
12397
209 -5.98900 0.2407 0.1949 -0.0508
12398
210 -5.98900 -0.2384 -0.1930 0.0508
12399
211 -5.95365 0.0129 -0.0110 0.5415
12400
212 -5.95365 -0.0116 0.0120 -0.5415
12401
213 -5.89538 0.0020 -0.0008 -0.0065
12402
214 -5.89538 -0.0025 0.0003 0.0065
12403
215 -5.78436 0.1272 0.1086 -0.0067
12404
216 -5.78436 -0.1272 -0.1087 0.0067
12405
217 -5.68804 -0.0652 -0.0531 0.0021
12406
218 -5.68804 0.0647 0.0525 -0.0022
12407
219 -5.42698 0.6344 0.5354 0.0166
12408
220 -5.42694 -0.6145 -0.5187 -0.0158
12409
221 -5.40427 -0.0856 -0.0738 -0.0563
12410
222 -5.40424 0.0688 0.0594 0.0554
12411
223 -5.36655 -0.3349 -0.2527 -0.0923
12412
224 -5.36654 0.3303 0.2488 0.0923
12413
225 -5.34623 -0.0737 -0.0502 0.1532
12414
226 -5.34622 0.0747 0.0511 -0.1530
12415
227 -5.28000 -0.0009 -0.0031 -0.3236
12416
228 -5.28000 0.0013 0.0034 0.3236
12417
229 -5.25000 0.0010 0.0014 0.1596
12418
230 -5.25000 -0.0012 -0.0016 -0.1596
12419
231 -5.01421 -0.5261 -0.4048 0.0045
12420
232 -5.01420 0.5267 0.4052 -0.0045
12421
233 -4.82866 -0.4500 -0.3810 -0.0001
12422
234 -4.82865 0.4354 0.3687 0.0001
12423
235 -4.77471 0.4567 0.3788 -0.0001
12424
236 -4.77470 -0.4406 -0.3653 0.0002
12425
237 -4.38161 0.5237 0.4375 0.0004
12426
238 -4.38160 -0.5214 -0.4356 -0.0004
12427
239 -4.24213 0.3564 0.2979 0.0004
12428
240 -4.24213 -0.3550 -0.2965 -0.0004
12429
241 -3.99106 -0.2378 -0.2003 0.0004
12430
242 -3.99106 0.2393 0.2016 -0.0004
12431
243 -3.84188 -0.2183 -0.1865 0.0023
12432
244 -3.84188 0.2201 0.1883 -0.0023
12433
245 -3.75712 0.2151 0.1808 -0.0015
12434
246 -3.75712 -0.2117 -0.1776 0.0015
12435
247 -2.98053 0.3618 0.3025 0.0009
12436
248 -2.98053 -0.3647 -0.3050 -0.0009
12437
249 -2.79739 0.3574 0.3075 -0.0003
12438
250 -2.79739 -0.3593 -0.3093 0.0003
12439
251 -2.59645 0.3869 0.3222 0.0004
12440
252 -2.59644 -0.3880 -0.3234 -0.0005
12441
253 -2.17608 0.0009 0.0021 0.2564
12442
254 -2.17608 0.0003 -0.0011 -0.2564
12443
255 -2.03659 0.0009 -0.0007 -0.1762
12444
256 -2.03659 0.0007 0.0020 0.1762
12445
257 -1.92635 0.0010 0.0005 -0.3205
12446
258 -1.92635 0.0007 0.0010 0.3205
12447
259 -1.32853 0.4710 0.3483 0.0172
12448
260 -1.32853 -0.4732 -0.3502 -0.0172
12449
261 -1.16533 -0.4439 -0.3616 -0.0148
12450
262 -1.16533 0.4424 0.3603 0.0148
12451
263 -1.07996 0.0077 0.0062 0.8863
12452
264 -1.07996 -0.0080 -0.0065 -0.8864
12453
265 -1.00856 -0.4540 -0.3611 -0.0209
12454
266 -1.00856 0.4525 0.3597 0.0209
12455
267 -0.96021 -0.0083 -0.0189 -0.3784
12456
268 -0.96021 0.0078 0.0184 0.3784
12457
269 -0.89542 0.0034 -0.0028 0.6118
12458
270 -0.89542 -0.0032 0.0030 -0.6118
12459
271 5.79077 -0.8408 -0.7051 -0.0004
12460
272 5.79077 0.8414 0.7056 0.0004
12461
273 6.10218 -0.8117 -0.6819 -0.0004
12462
274 6.10218 0.8125 0.6825 0.0004
12463
275 6.29161 -0.8820 -0.7437 0.0054
12464
276 6.29161 0.8829 0.7443 -0.0054
12465
277 6.93488 -1.1184 -0.9380 -0.0099
12466
278 6.93488 1.1167 0.9366 0.0099
12467
279 7.01688 -1.1779 -0.9843 -0.0068
12468
280 7.01688 1.1762 0.9829 0.0068
12469
281 7.22958 -0.9806 -0.8241 0.0010
12470
282 7.22958 0.9805 0.8240 -0.0010
12471
283 7.49591 0.9614 0.8040 0.0084
12472
284 7.49591 -0.9598 -0.8028 -0.0084
12473
285 7.62586 1.0156 0.8540 0.0092
12474
286 7.62586 -1.0142 -0.8529 -0.0092
12475
287 8.17015 -1.2864 -1.0791 0.0104
12476
288 8.17016 1.2854 1.0783 -0.0104
12477
289 9.13982 -1.0560 -0.8882 -0.0525
12478
290 9.13984 1.0532 0.8859 0.0525
12479
291 9.39341 0.0992 0.0828 0.0799
12480
292 9.39343 -0.0983 -0.0821 -0.0797
12481
293 9.53547 0.0301 0.0086 -1.1073
12482
294 9.53547 -0.0301 -0.0086 1.1071
12483
295 9.68208 -1.0480 -0.8771 -0.1613
12484
296 9.68209 1.0446 0.8741 0.1613
12485
297 9.82357 0.0134 0.0113 -0.0733
12486
298 9.82357 -0.0119 -0.0101 0.0733
12487
299 10.01970 -0.0082 0.0014 1.0884
12488
300 10.01971 0.0084 -0.0013 -1.0882
12489
301 10.37759 0.7564 0.6348 0.0082
12490
302 10.37762 -0.7595 -0.6374 -0.0082
12491
303 10.51269 0.4750 0.4022 -0.2448
12492
304 10.51271 -0.4746 -0.4019 0.2443
12493
305 10.64111 -0.8598 -0.7227 0.2087
12494
306 10.64113 0.8589 0.7219 -0.2082
12495
307 11.53331 0.8930 0.7491 -0.0427
12496
308 11.53333 -0.8900 -0.7468 0.0426
12497
309 11.81245 0.4541 0.3808 -0.0933
12498
310 11.81245 -0.4551 -0.3815 0.0932
12499
311 12.14118 -0.6474 -0.5430 0.0569
12500
312 12.14122 0.6459 0.5417 -0.0567
12501
313 12.89874 0.0384 0.0335 -0.0199
12502
314 12.89875 -0.0312 -0.0277 0.0196
12503
315 13.11163 0.0034 0.0532 0.8855
12504
316 13.11163 -0.0062 -0.0555 -0.8853
12505
317 13.46324 0.0156 0.0133 0.0023
12506
318 13.46324 -0.0149 -0.0130 -0.0023
12507
319 14.20759 0.0257 0.0164 -0.0358
12508
320 14.20759 -0.0255 -0.0162 0.0359
12509
321 14.71849 -0.0106 -0.0106 -0.2134
12510
322 14.71849 0.0116 0.0115 0.2134
12511
323 14.81628 -0.0884 -0.0755 0.0146
12512
324 14.81632 0.0870 0.0743 -0.0145
12513
325 14.96787 0.1435 0.1247 0.0630
12514
326 14.96792 -0.1421 -0.1236 -0.0632
12515
327 15.05360 -0.4383 -0.3859 -0.0651
12516
328 15.05363 0.4418 0.3888 0.0650
12517
329 15.19597 -0.2332 -0.2446 0.5472
12518
330 15.19601 0.2233 0.2370 -0.5468
12519
331 15.19863 0.0015 0.0050 -0.5611
12520
332 15.19867 0.0095 0.0035 0.5609
12521
333 15.31947 0.0186 0.0155 0.0619
12522
334 15.31947 -0.0194 -0.0162 -0.0619
12523
335 15.82480 -0.0033 0.0011 0.1774
12524
336 15.82480 0.0034 -0.0011 -0.1774
12525
337 16.24874 0.7535 0.6371 -0.0008
12526
338 16.24875 -0.7569 -0.6401 0.0008
12527
339 16.62884 0.5122 0.4289 -0.0079
12528
340 16.62884 -0.5155 -0.4319 0.0079
12529
341 17.18374 -0.2614 -0.2173 0.0103
12530
342 17.18375 0.2626 0.2185 -0.0103
12531
343 17.55407 0.0062 -0.0059 -0.5489
12532
344 17.55407 -0.0033 0.0084 0.5488
12533
345 17.75057 -0.9347 -0.7354 -0.0311
12534
346 17.75057 0.9312 0.7323 0.0312
12535
347 18.23479 -0.1586 -0.1343 0.0838
12536
348 18.23479 0.1585 0.1344 -0.0838
12537
349 18.53850 0.0035 0.0033 -0.6474
12538
350 18.53850 -0.0026 -0.0025 0.6473
12539
351 18.76554 -0.0018 0.0033 0.9045
12540
352 18.76555 0.0019 -0.0032 -0.9043
12541
353 19.21119 -0.0138 -0.0095 0.4568
12542
354 19.21119 -0.0121 -0.0123 -0.4567
12543
355 19.24866 -0.0191 -0.0205 -0.1529
12544
356 19.24866 0.0467 0.0438 0.1526
12545
357 19.44127 0.0164 0.0166 0.0652
12546
358 19.44127 -0.0165 -0.0166 -0.0653
12547
359 19.75416 0.0013 0.0015 -1.2905
12548
360 19.75416 -0.0018 -0.0019 1.2905
12549
361 20.20255 0.0002 -0.0001 0.6084
12550
362 20.20255 -0.0006 -0.0003 -0.6084
12551
363 20.51024 0.0161 0.0157 0.1582
12552
364 20.51024 -0.0166 -0.0159 -0.1582
12553
365 21.07648 0.0102 0.0022 -0.8336
12554
366 21.07648 -0.0105 -0.0024 0.8336
12555
367 21.26308 -0.6014 -0.4972 0.0200
12556
368 21.26309 0.6006 0.4965 -0.0200
12557
369 21.33945 0.5694 0.4768 -0.0105
12558
370 21.33946 -0.5683 -0.4760 0.0104
12559
371 21.78861 0.6033 0.5055 -0.0002
12560
372 21.78861 -0.6030 -0.5053 0.0002
12561
373 25.90995 -0.9405 -0.7886 -0.0062
12562
374 25.90995 0.9403 0.7884 0.0062
12563
375 27.95818 0.8930 0.7436 0.0007
12564
376 27.95818 -0.8927 -0.7434 -0.0007
12565
377 31.13796 -0.8885 -0.7462 0.0011
12566
378 31.13796 0.8889 0.7465 -0.0011
12567
379 39.40581 0.5349 0.4487 0.0001
12568
380 39.40581 -0.5347 -0.4484 -0.0001
12569
381 42.22538 -0.6511 -0.5425 -0.0046
12570
382 42.22538 0.6512 0.5426 0.0046
12571
383 46.54510 0.6899 0.5785 -0.0010
12572
384 46.54510 -0.6900 -0.5786 0.0010
12573
385 50.27645 -0.6674 -0.5599 0.0063
12574
386 50.27645 0.6674 0.5599 -0.0063
12575
387 52.16722 -0.6242 -0.5227 0.0042
12576
388 52.16722 0.6242 0.5227 -0.0042
12577
389 53.96639 -0.5985 -0.5022 0.0233
12578
390 53.96639 0.5985 0.5022 -0.0233
12579
12580
k-point 33 ( 0.003693 -0.003099 0.000000 ) (Bohr^-1)
12581
ie e(eV) Sx Sy Sz
12582
1 -51.72596 -0.2346 -0.3850 -0.0054
12583
2 -51.72595 0.2345 0.3849 0.0054
12584
3 -51.67055 0.2912 0.3327 0.0068
12585
4 -51.67053 -0.2912 -0.3338 -0.0069
12586
5 -51.66991 -0.2821 -0.3387 0.0024
12587
6 -51.66986 0.2823 0.3392 -0.0024
12588
7 -51.66899 -0.1239 0.2490 0.0896
12589
8 -51.66896 0.1261 -0.2521 -0.0938
12590
9 -51.66711 0.0123 -0.0044 0.0718
12591
10 -51.66703 -0.0139 0.0092 -0.0678
12592
11 -51.66347 0.2377 0.3071 0.0016
12593
12 -51.66336 -0.2374 -0.3069 -0.0013
12594
13 -51.65083 0.0310 0.0232 0.1447
12595
14 -51.65081 -0.0332 -0.0258 -0.1445
12596
15 -51.62123 -0.0143 -0.0021 -0.1656
12597
16 -51.62122 0.0155 0.0036 0.1655
12598
17 -51.61745 0.2839 0.4447 -0.0167
12599
18 -51.61732 -0.2862 -0.4485 0.0161
12600
19 -51.61429 0.1382 0.0634 0.0204
12601
20 -51.61414 -0.1391 -0.0629 -0.0196
12602
21 -51.61141 -0.1613 -0.3682 -0.0229
12603
22 -51.61138 0.1584 0.3655 0.0232
12604
23 -51.60396 -0.0037 0.0032 -0.0442
12605
24 -51.60393 0.0070 -0.0000 0.0438
12606
25 -51.60082 -0.0079 0.0018 -0.0898
12607
26 -51.60079 0.0115 0.0022 0.0896
12608
27 -51.58233 0.0222 0.0133 0.0326
12609
28 -51.58232 -0.0232 -0.0144 -0.0326
12610
29 -51.26110 0.3520 0.1965 -0.0299
12611
30 -51.26106 -0.3589 -0.2036 0.0310
12612
31 -51.25335 -0.0598 -0.0534 -0.1180
12613
32 -51.25328 0.0666 0.0604 0.1169
12614
33 -51.25217 -0.2947 -0.3327 0.0069
12615
34 -51.25209 0.2971 0.3354 -0.0070
12616
35 -51.22184 0.0148 0.0020 0.1505
12617
36 -51.22182 -0.0170 -0.0046 -0.1505
12618
37 -50.84149 0.3765 0.5353 -0.0008
12619
38 -50.84149 -0.3765 -0.5353 0.0008
12620
39 -50.80217 0.0493 0.0172 -0.0449
12621
40 -50.80215 -0.0485 -0.0162 0.0450
12622
41 -50.78403 -0.3563 -0.5398 0.0065
12623
42 -50.78391 0.3513 0.5378 -0.0087
12624
43 -50.78355 0.3628 0.5467 -0.0058
12625
44 -50.78344 -0.3609 -0.5561 0.0113
12626
45 -50.78294 -0.0588 -0.1499 -0.2621
12627
46 -50.78293 0.0603 0.1594 0.2585
12628
47 -50.77952 -0.1507 -0.2868 0.0591
12629
48 -50.77947 0.1536 0.2943 -0.0589
12630
49 -50.76951 0.3575 0.1487 -0.0318
12631
50 -50.76939 -0.3701 -0.1689 0.0305
12632
51 -50.76470 -0.0813 0.1535 0.1892
12633
52 -50.76466 0.0883 -0.1445 -0.1881
12634
53 -50.75068 -0.2885 -0.1599 0.0097
12635
54 -50.75057 0.2838 0.1510 -0.0084
12636
55 -50.74877 0.0149 -0.0136 -0.4742
12637
56 -50.74877 -0.0111 0.0113 0.4766
12638
57 -50.74856 0.0417 0.0053 0.0448
12639
58 -50.74850 -0.0444 0.0062 -0.0471
12640
59 -50.74818 0.0653 0.0220 -0.0130
12641
60 -50.74813 -0.0556 -0.0142 0.0118
12642
61 -50.73809 -0.0615 -0.1029 0.0697
12643
62 -50.73807 0.0602 0.1011 -0.0696
12644
63 -50.73671 -0.1766 -0.2451 0.0382
12645
64 -50.73668 0.1764 0.2455 -0.0388
12646
65 -50.71702 -0.1683 -0.0331 -0.1851
12647
66 -50.71699 0.1670 0.0301 0.1862
12648
67 -50.71107 0.3306 0.2592 0.0465
12649
68 -50.71102 -0.3277 -0.2545 -0.0471
12650
69 -50.70752 0.0571 0.0685 -0.0663
12651
70 -50.70748 -0.0588 -0.0706 0.0663
12652
71 -50.69744 -0.0591 -0.0937 0.1147
12653
72 -50.69739 0.0624 0.0979 -0.1152
12654
73 -50.69360 0.0715 0.0917 -0.0488
12655
74 -50.69352 -0.0749 -0.0959 0.0486
12656
75 -50.69156 -0.4046 -0.4215 -0.0697
12657
76 -50.69154 0.4031 0.4193 0.0702
12658
77 -50.67065 -0.0567 -0.0775 0.0716
12659
78 -50.67063 0.0573 0.0783 -0.0716
12660
79 -50.37978 -0.3928 -0.5100 0.0031
12661
80 -50.37967 0.3942 0.5120 -0.0031
12662
81 -50.36794 0.0831 0.1110 0.0088
12663
82 -50.36780 -0.0787 -0.1063 -0.0090
12664
83 -50.36314 0.4385 0.5971 -0.0131
12665
84 -50.36305 -0.4400 -0.5994 0.0133
12666
85 -50.34545 -0.0873 0.0060 -0.0094
12667
86 -50.34532 0.0823 -0.0118 0.0090
12668
87 -50.34024 0.1317 0.2110 0.0238
12669
88 -50.34013 -0.1375 -0.2176 -0.0236
12670
89 -50.32249 -0.1482 -0.1703 0.0310
12671
90 -50.32237 0.1545 0.1783 -0.0308
12672
91 -29.08020 0.0011 0.0013 -0.0437
12673
92 -29.08020 -0.0011 -0.0012 0.0437
12674
93 -29.07569 -0.0017 -0.0019 0.0219
12675
94 -29.07569 0.0006 0.0006 -0.0219
12676
95 -29.07495 0.0017 0.0019 -0.0031
12677
96 -29.07495 -0.0005 -0.0005 0.0031
12678
97 -29.06417 -0.0007 -0.0008 0.1313
12679
98 -29.06417 0.0006 0.0007 -0.1313
12680
99 -29.05159 -0.2585 -0.3105 0.0000
12681
100 -29.05159 0.2586 0.3106 -0.0000
12682
101 -29.04910 0.2585 0.3090 -0.0000
12683
102 -29.04909 -0.2586 -0.3090 0.0000
12684
103 -29.04705 0.2565 0.3092 0.0003
12685
104 -29.04705 -0.2565 -0.3092 -0.0003
12686
105 -29.03333 -0.2562 -0.3074 -0.0002
12687
106 -29.03333 0.2562 0.3074 0.0002
12688
107 -29.02457 0.0044 0.0051 -0.0563
12689
108 -29.02457 0.0014 0.0018 0.0563
12690
109 -29.02455 -0.0041 -0.0048 0.0567
12691
110 -29.02455 -0.0017 -0.0022 -0.0567
12692
111 -29.00455 -0.2532 -0.3045 -0.0000
12693
112 -29.00454 0.2532 0.3045 0.0000
12694
113 -29.00425 0.2604 0.3129 0.0001
12695
114 -29.00423 -0.2603 -0.3129 -0.0001
12696
115 -26.15001 0.0686 0.0868 -0.0016
12697
116 -26.15001 -0.0686 -0.0868 0.0016
12698
117 -26.13654 0.0802 0.0778 0.0446
12699
118 -26.13654 -0.0798 -0.0773 -0.0446
12700
119 -26.13444 -0.0747 -0.0791 -0.0222
12701
120 -26.13444 0.0743 0.0786 0.0222
12702
121 -26.10100 -0.0071 -0.0445 -0.0376
12703
122 -26.10100 0.0073 0.0448 0.0376
12704
123 -26.08895 -0.0093 -0.0244 -0.0702
12705
124 -26.08895 0.0090 0.0240 0.0702
12706
125 -26.08453 -0.0121 -0.0132 0.1059
12707
126 -26.08453 0.0116 0.0126 -0.1059
12708
127 -26.08420 0.0248 0.0247 -0.2303
12709
128 -26.08420 -0.0234 -0.0231 0.2303
12710
129 -26.08232 -0.1157 0.1679 0.0670
12711
130 -26.08232 0.1146 -0.1691 -0.0670
12712
131 -26.07528 0.2686 0.3329 0.0025
12713
132 -26.07528 -0.2688 -0.3332 -0.0025
12714
133 -26.07090 -0.2541 -0.3235 -0.0041
12715
134 -26.07089 0.2546 0.3240 0.0041
12716
135 -26.06390 0.0900 0.1081 -0.0293
12717
136 -26.06388 -0.0906 -0.1083 0.0290
12718
137 -26.06365 -0.0795 -0.0999 0.0749
12719
138 -26.06363 0.0787 0.0983 -0.0759
12720
139 -26.06319 -0.0478 -0.0491 0.0139
12721
140 -26.06319 0.0493 0.0511 -0.0126
12722
141 -26.04947 0.3575 0.4382 0.0000
12723
142 -26.04947 -0.3576 -0.4382 -0.0000
12724
143 -26.03387 0.0132 0.0109 -0.1148
12725
144 -26.03387 -0.0104 -0.0077 0.1148
12726
145 -26.03372 -0.0117 -0.0095 0.1110
12727
146 -26.03372 0.0087 0.0061 -0.1111
12728
147 -26.02149 -0.3214 -0.4006 0.0006
12729
148 -26.02148 0.3215 0.4006 -0.0006
12730
149 -26.02090 0.3491 0.4327 -0.0005
12731
150 -26.02090 -0.3491 -0.4326 0.0005
12732
151 -18.92799 -0.6408 -0.7673 0.0244
12733
152 -18.92799 0.6408 0.7673 -0.0244
12734
153 -18.85206 -0.6427 -0.7661 0.0013
12735
154 -18.85206 0.6427 0.7661 -0.0013
12736
155 -18.83205 0.6428 0.7660 -0.0004
12737
156 -18.83205 -0.6428 -0.7660 0.0004
12738
157 -18.27504 -0.6426 -0.7661 -0.0001
12739
158 -18.27504 0.6426 0.7661 0.0001
12740
159 -18.05890 -0.6427 -0.7660 -0.0000
12741
160 -18.05890 0.6427 0.7660 0.0000
12742
161 -17.86099 -0.6428 -0.7659 0.0002
12743
162 -17.86099 0.6428 0.7659 -0.0002
12744
163 -17.44162 -0.6427 -0.7659 0.0000
12745
164 -17.44162 0.6427 0.7659 -0.0000
12746
165 -17.19000 -0.6427 -0.7658 0.0002
12747
166 -17.19000 0.6427 0.7658 -0.0002
12748
167 -17.07076 -0.6425 -0.7660 0.0002
12749
168 -17.07076 0.6425 0.7660 -0.0002
12750
169 -14.82705 -0.6423 -0.7663 -0.0002
12751
170 -14.82705 0.6423 0.7663 0.0002
12752
171 -14.58359 0.6422 0.7664 0.0002
12753
172 -14.58359 -0.6422 -0.7664 -0.0002
12754
173 -14.39232 0.6426 0.7660 0.0001
12755
174 -14.39232 -0.6426 -0.7660 -0.0001
12756
175 -13.40698 -0.6442 -0.7648 -0.0004
12757
176 -13.40698 0.6442 0.7648 0.0004
12758
177 -13.20775 0.6436 0.7653 0.0019
12759
178 -13.20775 -0.6436 -0.7653 -0.0019
12760
179 -13.09397 0.6427 0.7661 0.0005
12761
180 -13.09397 -0.6427 -0.7661 -0.0005
12762
181 -7.66516 -0.6350 -0.6140 0.0296
12763
182 -7.66516 0.6350 0.6140 -0.0296
12764
183 -7.45082 -0.5378 -0.6204 -0.0035
12765
184 -7.45082 0.5378 0.6204 0.0035
12766
185 -7.25768 -0.3946 -0.4704 0.0006
12767
186 -7.25767 0.3946 0.4704 -0.0006
12768
187 -6.88535 -0.3195 -0.3979 0.0011
12769
188 -6.88535 0.3195 0.3979 -0.0011
12770
189 -6.84311 -0.1190 -0.1455 0.0000
12771
190 -6.84311 0.1190 0.1455 -0.0000
12772
191 -6.62528 0.2697 0.3221 -0.0013
12773
192 -6.62525 -0.2697 -0.3221 0.0013
12774
193 -6.59184 -0.2165 -0.2587 0.0030
12775
194 -6.59181 0.2165 0.2587 -0.0030
12776
195 -6.45858 0.2304 0.2021 -0.0503
12777
196 -6.45857 -0.2363 -0.2572 0.0722
12778
197 -6.45454 -0.0294 -0.0788 0.1394
12779
198 -6.45453 0.0312 0.0809 -0.1401
12780
199 -6.39881 0.0039 0.0026 -0.0063
12781
200 -6.39880 -0.0002 0.0018 0.0063
12782
201 -6.39543 -0.0090 -0.0266 -0.0127
12783
202 -6.39543 0.0094 0.0271 0.0128
12784
203 -6.27942 0.2017 0.2411 -0.0063
12785
204 -6.27942 -0.2056 -0.2452 0.0062
12786
205 -6.23465 -0.1913 -0.2301 -0.0088
12787
206 -6.23465 0.1866 0.2248 0.0088
12788
207 -6.06767 -0.2220 -0.2586 -0.0029
12789
208 -6.06766 0.2246 0.2620 0.0029
12790
209 -5.98900 0.2056 0.2404 -0.0284
12791
210 -5.98900 -0.2037 -0.2381 0.0284
12792
211 -5.95365 0.0060 -0.0208 0.4785
12793
212 -5.95365 -0.0050 0.0221 -0.4785
12794
213 -5.89538 0.0011 -0.0010 -0.0390
12795
214 -5.89538 -0.0015 0.0005 0.0390
12796
215 -5.78436 0.1070 0.1286 -0.0035
12797
216 -5.78436 -0.1070 -0.1288 0.0035
12798
217 -5.68804 -0.0546 -0.0642 0.0013
12799
218 -5.68804 0.0542 0.0634 -0.0013
12800
219 -5.42699 0.5327 0.6367 0.0096
12801
220 -5.42694 -0.5160 -0.6168 -0.0091
12802
221 -5.40426 -0.0723 -0.0875 -0.0324
12803
222 -5.40423 0.0583 0.0705 0.0319
12804
223 -5.36655 -0.2795 -0.3147 -0.0541
12805
224 -5.36654 0.2756 0.3100 0.0540
12806
225 -5.34623 -0.0614 -0.0638 0.0941
12807
226 -5.34623 0.0622 0.0648 -0.0940
12808
227 -5.28000 -0.0013 -0.0032 -0.1740
12809
228 -5.28000 0.0017 0.0035 0.1740
12810
229 -5.25000 0.0007 0.0014 0.0813
12811
230 -5.25000 -0.0009 -0.0016 -0.0813
12812
231 -5.01421 -0.4382 -0.4985 0.0023
12813
232 -5.01420 0.4387 0.4990 -0.0023
12814
233 -4.82866 -0.3779 -0.4526 -0.0000
12815
234 -4.82865 0.3656 0.4379 0.0000
12816
235 -4.77471 0.3828 0.4533 -0.0000
12817
236 -4.77470 -0.3693 -0.4372 0.0001
12818
237 -4.38161 0.4392 0.5222 0.0003
12819
238 -4.38160 -0.4373 -0.5200 -0.0003
12820
239 -4.24213 0.2989 0.3556 0.0003
12821
240 -4.24213 -0.2978 -0.3539 -0.0003
12822
241 -3.99106 -0.1996 -0.2383 0.0003
12823
242 -3.99106 0.2009 0.2399 -0.0002
12824
243 -3.84188 -0.1835 -0.2207 0.0012
12825
244 -3.84188 0.1851 0.2229 -0.0012
12826
245 -3.75712 0.1805 0.2154 -0.0007
12827
246 -3.75712 -0.1776 -0.2116 0.0007
12828
247 -2.98053 0.3035 0.3609 0.0005
12829
248 -2.98053 -0.3059 -0.3639 -0.0005
12830
249 -2.79739 0.3007 0.3631 -0.0001
12831
250 -2.79739 -0.3023 -0.3652 0.0001
12832
251 -2.59645 0.3244 0.3850 0.0002
12833
252 -2.59644 -0.3254 -0.3865 -0.0002
12834
253 -2.17608 0.0011 0.0023 0.1303
12835
254 -2.17608 -0.0001 -0.0010 -0.1303
12836
255 -2.03659 0.0004 -0.0005 -0.0940
12837
256 -2.03659 0.0010 0.0021 0.0940
12838
257 -1.92635 0.0007 0.0004 -0.2952
12839
258 -1.92635 0.0007 0.0013 0.2952
12840
259 -1.32853 0.3909 0.4374 0.0100
12841
260 -1.32853 -0.3928 -0.4397 -0.0100
12842
261 -1.16533 -0.3715 -0.4359 -0.0085
12843
262 -1.16533 0.3702 0.4343 0.0085
12844
263 -1.07996 0.0072 0.0083 0.5821
12845
264 -1.07996 -0.0075 -0.0086 -0.5821
12846
265 -1.00856 -0.3790 -0.4393 -0.0121
12847
266 -1.00856 0.3778 0.4377 0.0121
12848
267 -0.96021 -0.0095 -0.0183 -0.2065
12849
268 -0.96021 0.0090 0.0177 0.2065
12850
269 -0.89542 0.0015 -0.0043 0.4429
12851
270 -0.89542 -0.0014 0.0045 -0.4429
12852
271 5.79077 -0.7055 -0.8405 -0.0002
12853
272 5.79077 0.7060 0.8411 0.0002
12854
273 6.10218 -0.6812 -0.8123 -0.0002
12855
274 6.10218 0.6818 0.8130 0.0002
12856
275 6.29161 -0.7404 -0.8848 0.0028
12857
276 6.29161 0.7411 0.8856 -0.0028
12858
277 6.93488 -0.9384 -1.1180 -0.0057
12859
278 6.93488 0.9370 1.1164 0.0057
12860
279 7.01688 -0.9881 -1.1747 -0.0040
12861
280 7.01688 0.9867 1.1730 0.0040
12862
281 7.22958 -0.8229 -0.9816 0.0006
12863
282 7.22958 0.8229 0.9815 -0.0006
12864
283 7.49591 0.8064 0.9594 0.0046
12865
284 7.49591 -0.8051 -0.9579 -0.0046
12866
285 7.62586 0.8523 1.0170 0.0054
12867
286 7.62586 -0.8512 -1.0156 -0.0054
12868
287 8.17015 -1.0794 -1.2862 0.0060
12869
288 8.17016 1.0785 1.2852 -0.0060
12870
289 9.13982 -0.8867 -1.0582 -0.0304
12871
290 9.13983 0.8843 1.0554 0.0304
12872
291 9.39342 0.0830 0.0979 0.0463
12873
292 9.39344 -0.0823 -0.0971 -0.0461
12874
293 9.53547 0.0316 0.0043 -1.0797
12875
294 9.53547 -0.0316 -0.0043 1.0796
12876
295 9.68208 -0.8835 -1.0509 -0.0927
12877
296 9.68208 0.8806 1.0474 0.0927
12878
297 9.82357 0.0112 0.0131 -0.0433
12879
298 9.82357 -0.0100 -0.0117 0.0432
12880
299 10.01970 -0.0061 0.0090 1.0531
12881
300 10.01970 0.0062 -0.0088 -1.0530
12882
301 10.37764 0.6348 0.7558 0.0043
12883
302 10.37766 -0.6374 -0.7589 -0.0043
12884
303 10.51261 0.4049 0.4884 -0.1419
12885
304 10.51263 -0.4045 -0.4880 0.1415
12886
305 10.64114 -0.7301 -0.8694 0.1212
12887
306 10.64116 0.7292 0.8685 -0.1208
12888
307 11.53331 0.7496 0.8931 -0.0246
12889
308 11.53333 -0.7471 -0.8903 0.0246
12890
309 11.81247 0.3820 0.4551 -0.0551
12891
310 11.81248 -0.3828 -0.4560 0.0550
12892
311 12.14115 -0.5434 -0.6474 0.0334
12893
312 12.14120 0.5422 0.6459 -0.0332
12894
313 12.89874 0.0334 0.0421 -0.0111
12895
314 12.89875 -0.0273 -0.0352 0.0109
12896
315 13.11163 0.0212 0.0794 0.5626
12897
316 13.11163 -0.0235 -0.0821 -0.5625
12898
317 13.46324 0.0131 0.0157 -0.0000
12899
318 13.46324 -0.0125 -0.0153 0.0000
12900
319 14.20759 0.0220 0.0212 -0.0080
12901
320 14.20759 -0.0218 -0.0210 0.0080
12902
321 14.71849 -0.0091 -0.0128 -0.0919
12903
322 14.71850 0.0100 0.0139 0.0919
12904
323 14.81628 -0.0745 -0.0896 0.0084
12905
324 14.81632 0.0733 0.0882 -0.0083
12906
325 14.96788 0.1211 0.1471 0.0363
12907
326 14.96793 -0.1200 -0.1457 -0.0364
12908
327 15.05361 -0.3737 -0.4573 -0.0379
12909
328 15.05363 0.3766 0.4607 0.0379
12910
329 15.19595 -0.2018 -0.2777 0.3080
12911
330 15.19600 0.1937 0.2686 -0.3078
12912
331 15.19864 0.0041 0.0075 -0.3125
12913
332 15.19868 0.0050 0.0027 0.3124
12914
333 15.31947 0.0156 0.0185 0.0360
12915
334 15.31947 -0.0163 -0.0193 -0.0360
12916
335 15.82480 -0.0014 0.0033 0.1871
12917
336 15.82480 0.0015 -0.0033 -0.1871
12918
337 16.24874 0.6328 0.7571 -0.0003
12919
338 16.24875 -0.6356 -0.7606 0.0003
12920
339 16.62884 0.4297 0.5115 -0.0043
12921
340 16.62884 -0.4325 -0.5152 0.0043
12922
341 17.18374 -0.2194 -0.2599 0.0052
12923
342 17.18375 0.2204 0.2613 -0.0052
12924
343 17.55407 0.0022 -0.0100 -0.2007
12925
344 17.55407 0.0002 0.0129 0.2007
12926
345 17.75057 -0.7814 -0.8974 -0.0163
12927
346 17.75057 0.7784 0.8937 0.0163
12928
347 18.23479 -0.1343 -0.1608 0.0422
12929
348 18.23479 0.1342 0.1609 -0.0422
12930
349 18.53850 0.0045 0.0078 -0.4029
12931
350 18.53850 -0.0038 -0.0069 0.4028
12932
351 18.76554 -0.0000 0.0067 0.7551
12933
352 18.76554 0.0001 -0.0066 -0.7549
12934
353 19.21119 -0.0108 -0.0118 0.4068
12935
354 19.21119 -0.0109 -0.0141 -0.4068
12936
355 19.24866 -0.0167 -0.0222 -0.0851
12937
356 19.24866 0.0399 0.0499 0.0850
12938
357 19.44127 0.0145 0.0193 0.0397
12939
358 19.44127 -0.0146 -0.0193 -0.0398
12940
359 19.75416 0.0027 0.0045 -1.1843
12941
360 19.75416 -0.0031 -0.0050 1.1843
12942
361 20.20255 0.0002 -0.0004 0.6083
12943
362 20.20255 -0.0005 -0.0000 -0.6083
12944
363 20.51024 0.0140 0.0180 0.0645
12945
364 20.51024 -0.0143 -0.0183 -0.0645
12946
365 21.07648 0.0110 -0.0022 -0.8432
12947
366 21.07648 -0.0112 0.0020 0.8432
12948
367 21.26308 -0.5041 -0.5958 0.0116
12949
368 21.26309 0.5034 0.5950 -0.0116
12950
369 21.33945 0.4777 0.5687 -0.0060
12951
370 21.33946 -0.4768 -0.5677 0.0060
12952
371 21.78861 0.5061 0.6027 -0.0001
12953
372 21.78861 -0.5059 -0.6025 0.0001
12954
373 25.90995 -0.7891 -0.9400 -0.0033
12955
374 25.90995 0.7890 0.9398 0.0033
12956
375 27.95818 0.7488 0.8887 0.0006
12957
376 27.95818 -0.7485 -0.8884 -0.0006
12958
377 31.13796 -0.7456 -0.8890 0.0006
12959
378 31.13796 0.7459 0.8894 -0.0006
12960
379 39.40581 0.4489 0.5348 0.0000
12961
380 39.40581 -0.4486 -0.5345 -0.0000
12962
381 42.22538 -0.5460 -0.6482 -0.0023
12963
382 42.22538 0.5460 0.6483 0.0023
12964
383 46.54510 0.5788 0.6896 -0.0006
12965
384 46.54510 -0.5789 -0.6897 0.0006
12966
385 50.27645 -0.5600 -0.6673 0.0036
12967
386 50.27645 0.5600 0.6673 -0.0036
12968
387 52.16722 -0.5237 -0.6234 0.0024
12969
388 52.16722 0.5237 0.6234 -0.0024
12970
389 53.96639 -0.5023 -0.5986 0.0135
12971
390 53.96639 0.5023 0.5987 -0.0135
12972
12973
k-point 34 ( 0.004175 -0.002411 0.000000 ) (Bohr^-1)
12974
ie e(eV) Sx Sy Sz
12975
1 -51.72596 -0.2256 -0.3907 0.0000
12976
2 -51.72595 0.2255 0.3907 -0.0000
12977
3 -51.67055 0.2231 0.3864 -0.0000
12978
4 -51.67053 -0.2235 -0.3872 0.0000
12979
5 -51.66991 -0.2212 -0.3832 -0.0000
12980
6 -51.66986 0.2215 0.3836 0.0000
12981
7 -51.66898 0.2289 0.3965 -0.0000
12982
8 -51.66897 -0.2297 -0.3979 0.0000
12983
9 -51.66711 0.0012 0.0020 0.0000
12984
10 -51.66703 0.0005 0.0009 -0.0000
12985
11 -51.66347 0.1950 0.3377 -0.0000
12986
12 -51.66336 -0.1948 -0.3374 0.0000
12987
13 -51.65083 0.0188 0.0325 -0.0000
12988
14 -51.65081 -0.0205 -0.0355 0.0000
12989
15 -51.62123 -0.0049 -0.0085 -0.0000
12990
16 -51.62122 0.0059 0.0102 0.0000
12991
17 -51.61745 0.2686 0.4652 -0.0000
12992
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13023
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13025
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13027
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13028
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13030
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13031
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13032
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13033
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13035
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13036
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13037
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13038
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13039
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13040
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13041
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13042
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13043
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13044
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13045
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13046
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13047
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13048
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13049
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13050
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13051
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13052
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13053
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13054
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13055
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13056
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13057
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13058
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13059
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13060
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13061
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13062
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13063
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13064
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13065
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13066
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13071
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13074
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13075
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13076
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13078
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13079
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13080
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13081
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13082
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13083
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13085
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13086
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13087
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13088
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13089
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13090
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13091
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13092
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13093
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13094
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13095
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13096
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13097
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13098
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13099
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13100
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13101
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13102
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13103
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13104
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13105
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13107
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13108
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13111
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13123
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13126
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13141
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13143
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13144
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13145
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13147
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13155
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13167
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13191
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13193
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13198
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13199
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13200
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13201
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13202
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13203
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13205
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13206
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13207
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13208
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13209
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13210
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13211
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13212
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13213
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13214
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13215
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13216
242 -3.99106 0.1565 0.2710 -0.0000
13217
243 -3.84188 -0.1437 -0.2485 0.0001
13218
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13219
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13220
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13221
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13222
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13223
249 -2.79739 0.2358 0.4083 0.0000
13224
250 -2.79739 -0.2370 -0.4106 -0.0000
13225
251 -2.59645 0.2518 0.4360 -0.0000
13226
252 -2.59644 -0.2525 -0.4376 0.0000
13227
253 -2.17608 0.0013 0.0023 -0.0065
13228
254 -2.17608 -0.0005 -0.0008 0.0065
13229
255 -2.03659 -0.0001 -0.0003 0.0041
13230
256 -2.03659 0.0012 0.0021 -0.0041
13231
257 -1.92635 0.0001 0.0005 -0.0333
13232
258 -1.92635 0.0010 0.0014 0.0333
13233
259 -1.32854 0.2916 0.5095 0.0007
13234
260 -1.32853 -0.2930 -0.5120 -0.0007
13235
261 -1.16533 -0.2863 -0.4961 -0.0000
13236
262 -1.16533 0.2853 0.4943 0.0000
13237
263 -1.07996 0.0058 0.0102 0.0066
13238
264 -1.07996 -0.0061 -0.0106 -0.0066
13239
265 -1.00856 -0.2898 -0.5027 -0.0000
13240
266 -1.00856 0.2889 0.5009 0.0000
13241
267 -0.96021 -0.0104 -0.0177 -0.0033
13242
268 -0.96021 0.0100 0.0170 0.0033
13243
269 -0.89542 -0.0023 -0.0040 0.0578
13244
270 -0.89542 0.0024 0.0042 -0.0578
13245
271 5.79077 -0.5487 -0.9503 0.0001
13246
272 5.79077 0.5491 0.9510 -0.0001
13247
273 6.10218 -0.5301 -0.9181 0.0001
13248
274 6.10218 0.5306 0.9189 -0.0001
13249
275 6.29161 -0.5766 -0.9992 -0.0002
13250
276 6.29161 0.5772 1.0001 0.0002
13251
277 6.93488 -0.7298 -1.2641 -0.0000
13252
278 6.93488 0.7288 1.2622 0.0000
13253
279 7.01688 -0.7678 -1.3292 -0.0003
13254
280 7.01688 0.7667 1.3273 0.0003
13255
281 7.22958 -0.6404 -1.1094 0.0000
13256
282 7.22958 0.6403 1.1092 -0.0000
13257
283 7.49591 0.6267 1.0854 -0.0003
13258
284 7.49591 -0.6257 -1.0837 0.0003
13259
285 7.62586 0.6634 1.1492 -0.0000
13260
286 7.62586 -0.6625 -1.1477 0.0000
13261
287 8.17015 -0.8395 -1.4541 -0.0000
13262
288 8.17016 0.8389 1.4530 0.0000
13263
289 9.13982 -0.6904 -1.1959 -0.0004
13264
290 9.13983 0.6886 1.1927 0.0004
13265
291 9.39342 0.0639 0.1107 0.0001
13266
292 9.39344 -0.0634 -0.1099 -0.0001
13267
293 9.53547 0.0208 0.0359 -0.0032
13268
294 9.53547 -0.0208 -0.0359 0.0032
13269
295 9.68208 -0.6881 -1.1916 0.0011
13270
296 9.68208 0.6858 1.1877 -0.0011
13271
297 9.82357 0.0085 0.0148 -0.0024
13272
298 9.82357 -0.0076 -0.0132 0.0024
13273
299 10.01970 0.0145 0.0252 -0.0113
13274
300 10.01970 -0.0144 -0.0250 0.0113
13275
301 10.37766 0.4934 0.8546 -0.0011
13276
302 10.37769 -0.4955 -0.8581 0.0011
13277
303 10.51257 0.3203 0.5546 0.0029
13278
304 10.51259 -0.3200 -0.5541 -0.0029
13279
305 10.64116 -0.5709 -0.9884 -0.0014
13280
306 10.64118 0.5703 0.9873 0.0014
13281
307 11.53331 0.5831 1.0099 0.0000
13282
308 11.53333 -0.5812 -1.0067 -0.0000
13283
309 11.81248 0.2976 0.5152 -0.0021
13284
310 11.81249 -0.2982 -0.5162 0.0020
13285
311 12.14114 -0.4225 -0.7322 0.0009
13286
312 12.14119 0.4215 0.7305 -0.0009
13287
313 12.89874 0.0277 0.0477 0.0005
13288
314 12.89876 -0.0230 -0.0398 -0.0005
13289
315 13.11163 0.0467 0.0852 -0.0379
13290
316 13.11163 -0.0485 -0.0883 0.0378
13291
317 13.46324 0.0103 0.0177 -0.0014
13292
318 13.46324 -0.0098 -0.0172 0.0014
13293
319 14.20759 0.0154 0.0264 0.0162
13294
320 14.20759 -0.0153 -0.0262 -0.0162
13295
321 14.71850 -0.0079 -0.0138 0.0363
13296
322 14.71850 0.0087 0.0151 -0.0363
13297
323 14.81628 -0.0584 -0.1010 -0.0000
13298
324 14.81632 0.0575 0.0993 0.0000
13299
325 14.96788 0.0953 0.1652 -0.0001
13300
326 14.96793 -0.0944 -0.1636 0.0000
13301
327 15.05361 -0.2975 -0.5139 -0.0005
13302
328 15.05363 0.2998 0.5178 0.0004
13303
329 15.19595 -0.1729 -0.2993 -0.0000
13304
330 15.19599 0.1669 0.2888 0.0000
13305
331 15.19864 0.0052 0.0091 0.0004
13306
332 15.19868 0.0015 0.0027 -0.0004
13307
333 15.31947 0.0121 0.0209 -0.0023
13308
334 15.31947 -0.0126 -0.0219 0.0023
13309
335 15.82480 0.0022 0.0031 0.2060
13310
336 15.82480 -0.0022 -0.0031 -0.2060
13311
337 16.24874 0.4934 0.8545 0.0001
13312
338 16.24875 -0.4956 -0.8585 -0.0001
13313
339 16.62884 0.3340 0.5786 0.0004
13314
340 16.62884 -0.3362 -0.5827 -0.0004
13315
341 17.18374 -0.1704 -0.2944 -0.0009
13316
342 17.18375 0.1711 0.2960 0.0009
13317
343 17.55407 -0.0041 -0.0090 0.2155
13318
344 17.55407 0.0060 0.0122 -0.2155
13319
345 17.75057 -0.5981 -1.0290 0.0018
13320
346 17.75057 0.5958 1.0248 -0.0018
13321
347 18.23479 -0.1049 -0.1819 -0.0065
13322
348 18.23479 0.1049 0.1821 0.0065
13323
349 18.53850 0.0058 0.0100 0.0667
13324
350 18.53850 -0.0053 -0.0089 -0.0667
13325
351 18.76554 0.0052 0.0086 -0.2917
13326
352 18.76554 -0.0052 -0.0084 0.2917
13327
353 19.21119 -0.0075 -0.0137 0.1967
13328
354 19.21119 -0.0094 -0.0156 -0.1967
13329
355 19.24866 -0.0142 -0.0238 -0.0039
13330
356 19.24866 0.0322 0.0551 0.0039
13331
357 19.44127 0.0122 0.0212 0.0063
13332
358 19.44127 -0.0123 -0.0213 -0.0063
13333
359 19.75416 0.0062 0.0072 -0.8391
13334
360 19.75416 -0.0065 -0.0078 0.8391
13335
361 20.20255 -0.0011 -0.0016 0.3189
13336
362 20.20255 0.0008 0.0011 -0.3189
13337
363 20.51024 0.0114 0.0199 0.0097
13338
364 20.51024 -0.0117 -0.0202 -0.0097
13339
365 21.07648 -0.0008 -0.0040 -0.5026
13340
366 21.07648 0.0006 0.0038 0.5026
13341
367 21.26308 -0.3904 -0.6758 -0.0001
13342
368 21.26309 0.3898 0.6749 0.0001
13343
369 21.33945 0.3713 0.6433 0.0000
13344
370 21.33946 -0.3706 -0.6421 -0.0000
13345
371 21.78861 0.3935 0.6816 -0.0000
13346
372 21.78861 -0.3934 -0.6813 0.0000
13347
373 25.90995 -0.6137 -1.0629 0.0002
13348
374 25.90995 0.6136 1.0627 -0.0002
13349
375 27.95818 0.5811 1.0064 0.0002
13350
376 27.95818 -0.5809 -1.0060 -0.0002
13351
377 31.13796 -0.5801 -1.0049 -0.0001
13352
378 31.13796 0.5803 1.0053 0.0001
13353
379 39.40581 0.3491 0.6046 0.0000
13354
380 39.40581 -0.3490 -0.6043 -0.0000
13355
381 42.22538 -0.4238 -0.7340 0.0004
13356
382 42.22538 0.4238 0.7340 -0.0004
13357
383 46.54510 0.4502 0.7797 0.0001
13358
384 46.54510 -0.4502 -0.7798 -0.0001
13359
385 50.27645 -0.4356 -0.7544 -0.0000
13360
386 50.27645 0.4356 0.7545 0.0000
13361
387 52.16722 -0.4071 -0.7050 0.0000
13362
388 52.16722 0.4071 0.7051 -0.0000
13363
389 53.96639 -0.3908 -0.6769 -0.0001
13364
390 53.96639 0.3908 0.6769 0.0001
13365
13366
k-point 35 ( 0.004530 -0.001649 0.000000 ) (Bohr^-1)
13367
ie e(eV) Sx Sy Sz
13368
1 -51.72596 -0.2161 -0.3957 0.0054
13369
2 -51.72595 0.2161 0.3956 -0.0054
13370
3 -51.67055 0.1425 0.4186 -0.0068
13371
4 -51.67053 -0.1435 -0.4191 0.0069
13372
5 -51.66991 -0.1523 -0.4137 -0.0024
13373
6 -51.66986 0.1526 0.4141 0.0024
13374
7 -51.66899 0.2776 0.0172 -0.0896
13375
8 -51.66896 -0.2814 -0.0169 0.0939
13376
9 -51.66711 -0.0100 0.0084 -0.0718
13377
10 -51.66703 0.0149 -0.0074 0.0678
13378
11 -51.66347 0.1471 0.3594 -0.0016
13379
12 -51.66336 -0.1471 -0.3590 0.0013
13380
13 -51.65083 0.0046 0.0385 -0.1447
13381
14 -51.65081 -0.0057 -0.0417 0.1446
13382
15 -51.62123 0.0053 -0.0135 0.1655
13383
16 -51.62122 -0.0047 0.0152 -0.1654
13384
17 -51.61745 0.2431 0.4682 0.0167
13385
18 -51.61732 -0.2453 -0.4721 -0.0161
13386
19 -51.61429 -0.0142 0.1514 -0.0204
13387
20 -51.61414 0.0151 -0.1519 0.0196
13388
21 -51.61141 -0.2382 -0.3238 0.0229
13389
22 -51.61138 0.2373 0.3200 -0.0232
13390
23 -51.60396 0.0046 -0.0016 0.0442
13391
24 -51.60393 -0.0035 0.0061 -0.0438
13392
25 -51.60082 0.0055 -0.0060 0.0898
13393
26 -51.60079 -0.0039 0.0111 -0.0896
13394
27 -51.58233 0.0004 0.0259 -0.0326
13395
28 -51.58232 -0.0009 -0.0273 0.0326
13396
29 -51.26110 -0.0059 0.4031 0.0298
13397
30 -51.26106 0.0031 -0.4127 -0.0309
13398
31 -51.25335 -0.0163 -0.0785 0.1179
13399
32 -51.25328 0.0190 0.0879 -0.1168
13400
33 -51.25217 -0.1407 -0.4216 -0.0069
13401
34 -51.25209 0.1419 0.4250 0.0070
13402
35 -51.22184 -0.0057 0.0138 -0.1505
13403
36 -51.22182 0.0045 -0.0171 0.1505
13404
37 -50.84149 0.2753 0.5937 0.0008
13405
38 -50.84149 -0.2753 -0.5937 -0.0008
13406
39 -50.80217 -0.0098 0.0513 0.0449
13407
40 -50.80215 0.0102 -0.0502 -0.0450
13408
41 -50.78403 -0.2894 -0.5784 -0.0065
13409
42 -50.78391 0.2901 0.5731 0.0087
13410
43 -50.78355 0.2921 0.5875 0.0058
13411
44 -50.78344 -0.3011 -0.5905 -0.0113
13412
45 -50.78294 -0.1005 -0.1260 0.2619
13413
46 -50.78293 0.1079 0.1320 -0.2583
13414
47 -50.77952 -0.1731 -0.2739 -0.0591
13415
48 -50.77947 0.1780 0.2802 0.0589
13416
49 -50.76951 -0.0500 0.3839 0.0318
13417
50 -50.76939 0.0387 -0.4049 -0.0305
13418
51 -50.76470 0.1736 0.0064 -0.1891
13419
52 -50.76466 -0.1693 0.0042 0.1880
13420
53 -50.75068 0.0058 -0.3298 -0.0097
13421
54 -50.75057 -0.0112 0.3213 0.0084
13422
55 -50.74877 -0.0192 0.0061 0.4742
13423
56 -50.74877 0.0153 -0.0040 -0.4766
13424
57 -50.74856 -0.0163 0.0387 -0.0448
13425
58 -50.74850 0.0276 -0.0354 0.0471
13426
59 -50.74818 -0.0136 0.0676 0.0131
13427
60 -50.74813 0.0155 -0.0553 -0.0119
13428
61 -50.73809 -0.0583 -0.1047 -0.0697
13429
62 -50.73807 0.0574 0.1027 0.0696
13430
63 -50.73671 -0.1240 -0.2755 -0.0382
13431
64 -50.73668 0.1244 0.2755 0.0387
13432
65 -50.71702 0.0556 -0.1623 0.1853
13433
66 -50.71699 -0.0575 0.1597 -0.1864
13434
67 -50.71107 0.0592 0.4159 -0.0465
13435
68 -50.71102 -0.0566 -0.4110 0.0472
13436
69 -50.70752 0.0308 0.0836 0.0664
13437
70 -50.70748 -0.0318 -0.0863 -0.0663
13438
71 -50.69744 -0.0515 -0.0980 -0.1147
13439
72 -50.69739 0.0536 0.1030 0.1152
13440
73 -50.69360 0.0436 0.1078 0.0488
13441
74 -50.69352 -0.0456 -0.1128 -0.0486
13442
75 -50.69156 -0.1627 -0.5611 0.0697
13443
76 -50.69154 0.1616 0.5587 -0.0702
13444
77 -50.67065 -0.0388 -0.0879 -0.0716
13445
78 -50.67063 0.0391 0.0888 0.0715
13446
79 -50.37978 -0.2453 -0.5952 -0.0031
13447
80 -50.37967 0.2463 0.5974 0.0031
13448
81 -50.36794 0.0546 0.1275 -0.0088
13449
82 -50.36780 -0.0527 -0.1213 0.0090
13450
83 -50.36314 0.2978 0.6783 0.0131
13451
84 -50.36305 -0.2991 -0.6807 -0.0133
13452
85 -50.34545 0.0488 -0.0726 0.0094
13453
86 -50.34532 -0.0513 0.0654 -0.0090
13454
87 -50.34024 0.1169 0.2195 -0.0238
13455
88 -50.34013 -0.1197 -0.2279 0.0236
13456
89 -50.32249 -0.0734 -0.2135 -0.0310
13457
90 -50.32237 0.0772 0.2230 0.0308
13458
91 -29.08020 0.0006 0.0016 0.0210
13459
92 -29.08020 -0.0006 -0.0015 -0.0210
13460
93 -29.07569 -0.0008 -0.0025 -0.0212
13461
94 -29.07569 0.0002 0.0008 0.0212
13462
95 -29.07495 0.0008 0.0025 0.0048
13463
96 -29.07495 -0.0002 -0.0007 -0.0048
13464
97 -29.06417 0.0002 -0.0009 0.0804
13465
98 -29.06417 -0.0003 0.0007 -0.0804
13466
99 -29.05159 -0.1385 -0.3796 -0.0001
13467
100 -29.05159 0.1385 0.3797 0.0001
13468
101 -29.04910 0.1384 0.3783 0.0000
13469
102 -29.04909 -0.1385 -0.3784 -0.0000
13470
103 -29.04705 0.1411 0.3761 -0.0009
13471
104 -29.04705 -0.1412 -0.3762 0.0009
13472
105 -29.03333 -0.1383 -0.3755 0.0000
13473
106 -29.03333 0.1383 0.3755 -0.0000
13474
107 -29.02457 0.0022 0.0064 0.0564
13475
108 -29.02457 0.0008 0.0021 -0.0564
13476
109 -29.02455 -0.0021 -0.0059 -0.0559
13477
110 -29.02455 -0.0010 -0.0026 0.0559
13478
111 -29.00455 -0.1371 -0.3715 0.0000
13479
112 -29.00454 0.1371 0.3716 -0.0000
13480
113 -29.00425 0.1408 0.3819 -0.0001
13481
114 -29.00423 -0.1408 -0.3819 0.0001
13482
115 -26.15001 0.0411 0.1027 0.0070
13483
116 -26.15001 -0.0411 -0.1027 -0.0070
13484
117 -26.13654 0.0275 0.1083 -0.0456
13485
118 -26.13654 -0.0273 -0.1077 0.0456
13486
119 -26.13444 -0.0310 -0.1043 0.0225
13487
120 -26.13444 0.0307 0.1037 -0.0225
13488
121 -26.10100 -0.0370 -0.0257 -0.0831
13489
122 -26.10100 0.0372 0.0261 0.0831
13490
123 -26.08895 -0.0155 -0.0209 0.0905
13491
124 -26.08895 0.0153 0.0204 -0.0905
13492
125 -26.08453 -0.0049 -0.0173 -0.1084
13493
126 -26.08453 0.0047 0.0166 0.1084
13494
127 -26.08420 0.0093 0.0337 0.2291
13495
128 -26.08420 -0.0086 -0.0317 -0.2292
13496
129 -26.08232 0.2052 -0.0132 -0.0669
13497
130 -26.08232 -0.2057 0.0117 0.0669
13498
131 -26.07528 0.1535 0.3992 -0.0024
13499
132 -26.07528 -0.1537 -0.3996 0.0024
13500
133 -26.07090 -0.1532 -0.3818 0.0037
13501
134 -26.07089 0.1534 0.3825 -0.0037
13502
135 -26.06390 0.0486 0.1319 0.0293
13503
136 -26.06388 -0.0486 -0.1326 -0.0290
13504
137 -26.06365 -0.0469 -0.1187 -0.0740
13505
138 -26.06363 0.0460 0.1172 0.0750
13506
139 -26.06319 -0.0182 -0.0661 -0.0179
13507
140 -26.06319 0.0192 0.0684 0.0165
13508
141 -26.04947 0.1996 0.5291 0.0003
13509
142 -26.04947 -0.1996 -0.5292 -0.0003
13510
143 -26.03387 0.0029 0.0169 0.1132
13511
144 -26.03387 -0.0015 -0.0128 -0.1132
13512
145 -26.03372 -0.0023 -0.0149 -0.1125
13513
146 -26.03372 0.0009 0.0106 0.1125
13514
147 -26.02149 -0.1862 -0.4786 -0.0006
13515
148 -26.02148 0.1862 0.4787 0.0006
13516
149 -26.02090 0.2002 0.5186 0.0005
13517
150 -26.02090 -0.2002 -0.5186 -0.0005
13518
151 -18.92799 -0.3431 -0.9391 -0.0191
13519
152 -18.92799 0.3431 0.9391 0.0191
13520
153 -18.85206 -0.3420 -0.9397 -0.0016
13521
154 -18.85206 0.3420 0.9397 0.0016
13522
155 -18.83205 0.3420 0.9397 0.0002
13523
156 -18.83205 -0.3420 -0.9397 -0.0002
13524
157 -18.27504 -0.3421 -0.9396 0.0001
13525
158 -18.27504 0.3421 0.9396 -0.0001
13526
159 -18.05890 -0.3420 -0.9396 -0.0000
13527
160 -18.05890 0.3420 0.9396 0.0000
13528
161 -17.86099 -0.3419 -0.9396 -0.0002
13529
162 -17.86099 0.3419 0.9396 0.0002
13530
163 -17.44162 -0.3420 -0.9395 -0.0000
13531
164 -17.44162 0.3420 0.9395 0.0000
13532
165 -17.19000 -0.3419 -0.9395 -0.0001
13533
166 -17.19000 0.3419 0.9395 0.0001
13534
167 -17.07076 -0.3421 -0.9395 -0.0001
13535
168 -17.07076 0.3421 0.9395 0.0001
13536
169 -14.82705 -0.3422 -0.9395 -0.0000
13537
170 -14.82705 0.3422 0.9395 0.0000
13538
171 -14.58359 0.3446 0.9386 0.0003
13539
172 -14.58359 -0.3446 -0.9386 -0.0003
13540
173 -14.39232 0.3421 0.9395 -0.0002
13541
174 -14.39232 -0.3421 -0.9395 0.0002
13542
175 -13.40698 -0.3409 -0.9401 0.0009
13543
176 -13.40698 0.3409 0.9401 -0.0009
13544
177 -13.20775 0.3409 0.9401 -0.0000
13545
178 -13.20775 -0.3409 -0.9401 0.0000
13546
179 -13.09397 0.3422 0.9396 -0.0004
13547
180 -13.09397 -0.3422 -0.9396 0.0004
13548
181 -7.66516 -0.2171 -0.8563 -0.0294
13549
182 -7.66516 0.2171 0.8563 0.0294
13550
183 -7.45082 -0.2685 -0.7760 0.0026
13551
184 -7.45082 0.2685 0.7760 -0.0026
13552
185 -7.25768 -0.2100 -0.5770 -0.0006
13553
186 -7.25767 0.2100 0.5770 0.0006
13554
187 -6.88535 -0.1844 -0.4758 -0.0011
13555
188 -6.88535 0.1844 0.4758 0.0011
13556
189 -6.84311 -0.0664 -0.1759 -0.0001
13557
190 -6.84311 0.0664 0.1759 0.0001
13558
191 -6.62528 0.1441 0.3946 0.0013
13559
192 -6.62525 -0.1441 -0.3946 -0.0013
13560
193 -6.59184 -0.1158 -0.3168 -0.0030
13561
194 -6.59181 0.1158 0.3169 0.0030
13562
195 -6.45858 0.0600 0.3005 0.0502
13563
196 -6.45857 -0.1046 -0.3332 -0.0722
13564
197 -6.45454 -0.0535 -0.0650 -0.1393
13565
198 -6.45453 0.0544 0.0676 0.1400
13566
199 -6.39881 0.0003 0.0047 0.0059
13567
200 -6.39880 0.0017 0.0007 -0.0059
13568
201 -6.39543 -0.0186 -0.0210 0.0127
13569
202 -6.39543 0.0188 0.0216 -0.0129
13570
203 -6.27942 0.1078 0.2954 0.0063
13571
204 -6.27942 -0.1098 -0.3005 -0.0063
13572
205 -6.23465 -0.1036 -0.2806 0.0089
13573
206 -6.23465 0.1011 0.2742 -0.0089
13574
207 -6.06767 -0.1132 -0.3214 0.0029
13575
208 -6.06766 0.1146 0.3255 -0.0029
13576
209 -5.98900 0.1056 0.2981 0.0287
13577
210 -5.98900 -0.1046 -0.2954 -0.0287
13578
211 -5.95365 -0.0209 -0.0050 -0.4798
13579
212 -5.95365 0.0215 0.0065 0.4798
13580
213 -5.89538 -0.0013 0.0003 0.0275
13581
214 -5.89538 0.0011 -0.0010 -0.0275
13582
215 -5.78436 0.0580 0.1569 0.0039
13583
216 -5.78436 -0.0580 -0.1571 -0.0039
13584
217 -5.68804 -0.0282 -0.0795 -0.0011
13585
218 -5.68804 0.0279 0.0786 0.0011
13586
219 -5.42699 0.2850 0.7796 -0.0095
13587
220 -5.42694 -0.2762 -0.7554 0.0091
13588
221 -5.40426 -0.0395 -0.1063 0.0324
13589
222 -5.40423 0.0321 0.0857 -0.0319
13590
223 -5.36655 -0.1327 -0.3994 0.0543
13591
224 -5.36654 0.1307 0.3937 -0.0542
13592
225 -5.34623 -0.0245 -0.0851 -0.0938
13593
226 -5.34623 0.0250 0.0863 0.0937
13594
227 -5.28000 -0.0020 -0.0028 0.1737
13595
228 -5.28000 0.0022 0.0032 -0.1737
13596
229 -5.25000 0.0007 0.0014 -0.1110
13597
230 -5.25000 -0.0008 -0.0016 0.1110
13598
231 -5.01421 -0.2129 -0.6287 -0.0024
13599
232 -5.01420 0.2132 0.6293 0.0024
13600
233 -4.82866 -0.2029 -0.5537 0.0001
13601
234 -4.82865 0.1964 0.5356 -0.0000
13602
235 -4.77471 0.2012 0.5581 0.0000
13603
236 -4.77470 -0.1940 -0.5384 -0.0001
13604
237 -4.38161 0.2327 0.6415 -0.0002
13605
238 -4.38160 -0.2317 -0.6387 0.0002
13606
239 -4.24213 0.1584 0.4368 -0.0003
13607
240 -4.24213 -0.1578 -0.4348 0.0003
13608
241 -3.99106 -0.1067 -0.2920 -0.0002
13609
242 -3.99106 0.1074 0.2939 0.0002
13610
243 -3.84188 -0.0996 -0.2692 -0.0010
13611
244 -3.84188 0.1005 0.2718 0.0010
13612
245 -3.75712 0.0961 0.2642 0.0009
13613
246 -3.75712 -0.0946 -0.2595 -0.0009
13614
247 -2.98053 0.1610 0.4432 -0.0005
13615
248 -2.98053 -0.1623 -0.4469 0.0005
13616
249 -2.79739 0.1642 0.4419 0.0001
13617
250 -2.79739 -0.1651 -0.4445 -0.0001
13618
251 -2.59645 0.1713 0.4734 -0.0003
13619
252 -2.59644 -0.1718 -0.4752 0.0003
13620
253 -2.17608 0.0014 0.0021 -0.1423
13621
254 -2.17608 -0.0009 -0.0006 0.1423
13622
255 -2.03659 -0.0006 0.0000 0.1020
13623
256 -2.03659 0.0013 0.0020 -0.1021
13624
257 -1.92635 0.0000 0.0010 0.1811
13625
258 -1.92635 0.0007 0.0011 -0.1811
13626
259 -1.32853 0.1795 0.5586 -0.0086
13627
260 -1.32853 -0.1805 -0.5614 0.0086
13628
261 -1.16533 -0.1916 -0.5397 0.0085
13629
262 -1.16533 0.1910 0.5378 -0.0085
13630
263 -1.07996 0.0035 0.0105 -0.5733
13631
264 -1.07996 -0.0036 -0.0109 0.5733
13632
265 -1.00856 -0.1903 -0.5482 0.0120
13633
266 -1.00856 0.1897 0.5461 -0.0120
13634
267 -0.96021 -0.0113 -0.0172 0.2002
13635
268 -0.96021 0.0111 0.0164 -0.2002
13636
269 -0.89542 -0.0046 -0.0009 -0.3542
13637
270 -0.89542 0.0046 0.0011 0.3542
13638
271 5.79077 -0.3752 -1.0312 0.0003
13639
272 5.79077 0.3755 1.0319 -0.0003
13640
273 6.10218 -0.3629 -0.9961 0.0004
13641
274 6.10218 0.3633 0.9970 -0.0004
13642
275 6.29161 -0.3957 -1.0837 -0.0031
13643
276 6.29161 0.3961 1.0847 0.0031
13644
277 6.93488 -0.4990 -1.3717 0.0057
13645
278 6.93488 0.4983 1.3697 -0.0057
13646
279 7.01688 -0.5239 -1.4428 0.0035
13647
280 7.01688 0.5232 1.4408 -0.0035
13648
281 7.22958 -0.4385 -1.2036 -0.0005
13649
282 7.22958 0.4384 1.2034 0.0005
13650
283 7.49591 0.4277 1.1780 -0.0052
13651
284 7.49591 -0.4270 -1.1762 0.0052
13652
285 7.62586 0.4544 1.2467 -0.0055
13653
286 7.62586 -0.4537 -1.2451 0.0055
13654
287 8.17015 -0.5742 -1.5778 -0.0060
13655
288 8.17016 0.5737 1.5766 0.0060
13656
289 9.13982 -0.4730 -1.2970 0.0297
13657
290 9.13983 0.4717 1.2935 -0.0297
13658
291 9.39342 0.0432 0.1208 -0.0461
13659
292 9.39344 -0.0428 -0.1199 0.0460
13660
293 9.53547 -0.0121 0.0295 1.0797
13661
294 9.53547 0.0121 -0.0295 -1.0796
13662
295 9.68208 -0.4684 -1.2904 0.0949
13663
296 9.68208 0.4669 1.2861 -0.0949
13664
297 9.82357 0.0058 0.0162 0.0386
13665
298 9.82357 -0.0051 -0.0145 -0.0385
13666
299 10.01970 0.0108 -0.0007 -1.0534
13667
300 10.01970 -0.0107 0.0009 1.0533
13668
301 10.37764 0.3372 0.9277 -0.0064
13669
302 10.37766 -0.3386 -0.9315 0.0064
13670
303 10.51261 0.2205 0.5944 0.1474
13671
304 10.51263 -0.2203 -0.5939 -0.1471
13672
305 10.64114 -0.3883 -1.0666 -0.1238
13673
306 10.64116 0.3878 1.0654 0.1235
13674
307 11.53331 0.3987 1.0956 0.0247
13675
308 11.53333 -0.3974 -1.0922 -0.0247
13676
309 11.81247 0.2034 0.5583 0.0510
13677
310 11.81248 -0.2038 -0.5594 -0.0510
13678
311 12.14115 -0.2886 -0.7945 -0.0316
13679
312 12.14120 0.2880 0.7927 0.0315
13680
313 12.89874 0.0201 0.0499 0.0122
13681
314 12.89875 -0.0169 -0.0413 -0.0120
13682
315 13.11163 0.0533 0.0586 -0.6122
13683
316 13.11163 -0.0545 -0.0620 0.6120
13684
317 13.46324 0.0071 0.0192 -0.0028
13685
318 13.46324 -0.0068 -0.0187 0.0028
13686
319 14.20759 0.0076 0.0295 0.0384
13687
320 14.20759 -0.0075 -0.0293 -0.0385
13688
321 14.71849 -0.0064 -0.0142 0.1642
13689
322 14.71850 0.0069 0.0156 -0.1642
13690
323 14.81628 -0.0405 -0.1092 -0.0084
13691
324 14.81632 0.0399 0.1075 0.0084
13692
325 14.96788 0.0668 0.1784 -0.0364
13693
326 14.96793 -0.0662 -0.1767 0.0365
13694
327 15.05361 -0.2104 -0.5518 0.0371
13695
328 15.05363 0.2119 0.5560 -0.0370
13696
329 15.19595 -0.1398 -0.3137 -0.3080
13697
330 15.19600 0.1360 0.3021 0.3078
13698
331 15.19864 0.0045 0.0073 0.3134
13699
332 15.19868 -0.0002 0.0056 -0.3132
13700
333 15.31947 0.0082 0.0227 -0.0404
13701
334 15.31947 -0.0086 -0.0238 0.0404
13702
335 15.82480 0.0039 -0.0001 0.1635
13703
336 15.82480 -0.0039 0.0001 -0.1635
13704
337 16.24874 0.3393 0.9265 0.0004
13705
338 16.24875 -0.3408 -0.9309 -0.0004
13706
339 16.62884 0.2281 0.6279 0.0051
13707
340 16.62884 -0.2296 -0.6323 -0.0051
13708
341 17.18374 -0.1159 -0.3197 -0.0070
13709
342 17.18375 0.1164 0.3214 0.0070
13710
343 17.55407 -0.0072 -0.0034 0.5316
13711
344 17.55407 0.0085 0.0069 -0.5316
13712
345 17.75057 -0.3927 -1.1233 0.0197
13713
346 17.75057 0.3911 1.1187 -0.0198
13714
347 18.23479 -0.0719 -0.1963 -0.0548
13715
348 18.23479 0.0718 0.1965 0.0548
13716
349 18.53850 0.0044 0.0074 0.4949
13717
350 18.53850 -0.0040 -0.0062 -0.4948
13718
351 18.76554 0.0045 0.0023 -0.8470
13719
352 18.76554 -0.0044 -0.0022 0.8469
13720
353 19.21119 -0.0041 -0.0155 -0.0901
13721
354 19.21119 -0.0075 -0.0163 0.0900
13722
355 19.24866 -0.0116 -0.0253 0.0778
13723
356 19.24866 0.0239 0.0593 -0.0777
13724
357 19.44127 0.0095 0.0222 -0.0274
13725
358 19.44127 -0.0095 -0.0223 0.0275
13726
359 19.75416 0.0097 0.0071 0.1978
13727
360 19.75416 -0.0099 -0.0077 -0.1978
13728
361 20.20255 -0.0005 0.0000 -0.6013
13729
362 20.20255 0.0003 -0.0005 0.6013
13730
363 20.51024 0.0085 0.0212 -0.0454
13731
364 20.51024 -0.0087 -0.0216 0.0454
13732
365 21.07648 -0.0077 0.0086 0.7467
13733
366 21.07648 0.0076 -0.0088 -0.7467
13734
367 21.26308 -0.2642 -0.7343 -0.0117
13735
368 21.26309 0.2638 0.7333 0.0117
13736
369 21.33945 0.2535 0.6981 0.0060
13737
370 21.33946 -0.2530 -0.6969 -0.0060
13738
371 21.78861 0.2690 0.7396 0.0001
13739
372 21.78861 -0.2689 -0.7393 -0.0001
13740
373 25.90995 -0.4196 -1.1534 0.0037
13741
374 25.90995 0.4195 1.1531 -0.0037
13742
375 27.95818 0.3954 1.0928 -0.0001
13743
376 27.95818 -0.3952 -1.0924 0.0001
13744
377 31.13796 -0.3970 -1.0903 -0.0008
13745
378 31.13796 0.3971 1.0907 0.0008
13746
379 39.40581 0.2388 0.6561 0.0000
13747
380 39.40581 -0.2387 -0.6557 -0.0000
13748
381 42.22538 -0.2884 -0.7969 0.0031
13749
382 42.22538 0.2885 0.7970 -0.0031
13750
383 46.54510 0.3078 0.8461 0.0007
13751
384 46.54510 -0.3078 -0.8462 -0.0007
13752
385 50.27645 -0.2979 -0.8186 -0.0037
13753
386 50.27645 0.2979 0.8187 0.0037
13754
387 52.16722 -0.2781 -0.7652 -0.0024
13755
388 52.16722 0.2781 0.7652 0.0024
13756
389 53.96639 -0.2673 -0.7343 -0.0136
13757
390 53.96639 0.2673 0.7344 0.0136
13758
13759
k-point 36 ( 0.004748 -0.000837 0.000000 ) (Bohr^-1)
13760
ie e(eV) Sx Sy Sz
13761
1 -51.72595 -0.2056 -0.4000 0.0110
13762
2 -51.72595 0.2056 0.3999 -0.0110
13763
3 -51.67055 0.0583 0.4276 -0.0129
13764
4 -51.67053 -0.0597 -0.4277 0.0133
13765
5 -51.66991 -0.0788 -0.4290 -0.0046
13766
6 -51.66986 0.0791 0.4294 0.0046
13767
7 -51.66901 0.2475 -0.0539 -0.0916
13768
8 -51.66894 -0.2541 0.0559 0.0999
13769
9 -51.66712 -0.0196 0.0138 -0.1344
13770
10 -51.66703 0.0277 -0.0148 0.1266
13771
11 -51.66347 0.0949 0.3716 -0.0031
13772
12 -51.66336 -0.0950 -0.3712 0.0025
13773
13 -51.65083 -0.0086 0.0405 -0.2598
13774
14 -51.65081 0.0081 -0.0439 0.2595
13775
15 -51.62123 0.0133 -0.0160 0.2786
13776
16 -51.62122 -0.0130 0.0179 -0.2785
13777
17 -51.61745 0.2091 0.4538 0.0325
13778
18 -51.61732 -0.2112 -0.4576 -0.0314
13779
19 -51.61429 -0.0901 0.1870 -0.0397
13780
20 -51.61414 0.0917 -0.1880 0.0382
13781
21 -51.61141 -0.2661 -0.2861 0.0449
13782
22 -51.61138 0.2662 0.2819 -0.0456
13783
23 -51.60396 0.0087 -0.0041 0.0889
13784
24 -51.60393 -0.0088 0.0089 -0.0883
13785
25 -51.60082 0.0118 -0.0093 0.1699
13786
26 -51.60079 -0.0113 0.0147 -0.1695
13787
27 -51.58233 -0.0108 0.0306 -0.0622
13788
28 -51.58232 0.0106 -0.0321 0.0622
13789
29 -51.26111 -0.1143 0.2967 0.0355
13790
30 -51.26105 0.1138 -0.3070 -0.0376
13791
31 -51.25335 0.0064 -0.0831 0.2204
13792
32 -51.25328 -0.0059 0.0933 -0.2182
13793
33 -51.25217 -0.0537 -0.4287 -0.0130
13794
34 -51.25209 0.0543 0.4323 0.0132
13795
35 -51.22184 -0.0143 0.0169 -0.2621
13796
36 -51.22182 0.0138 -0.0204 0.2620
13797
37 -50.84149 0.2163 0.6103 0.0017
13798
38 -50.84149 -0.2163 -0.6103 -0.0017
13799
39 -50.80217 -0.0392 0.0661 0.0883
13800
40 -50.80215 0.0395 -0.0650 -0.0884
13801
41 -50.78402 -0.2503 -0.5904 -0.0133
13802
42 -50.78391 0.2539 0.5837 0.0177
13803
43 -50.78355 0.2500 0.5986 0.0119
13804
44 -50.78344 -0.2641 -0.5980 -0.0229
13805
45 -50.78294 -0.0688 -0.0655 0.3120
13806
46 -50.78293 0.0787 0.0691 -0.3048
13807
47 -50.77953 -0.1560 -0.2254 -0.1031
13808
48 -50.77946 0.1617 0.2308 0.1026
13809
49 -50.76952 -0.2329 0.4428 0.0573
13810
50 -50.76939 0.2229 -0.4632 -0.0548
13811
51 -50.76471 0.1726 -0.0379 -0.2182
13812
52 -50.76465 -0.1699 0.0487 0.2159
13813
53 -50.75069 0.1396 -0.3625 -0.0175
13814
54 -50.75056 -0.1451 0.3546 0.0149
13815
55 -50.74878 -0.0204 0.0090 0.4768
13816
56 -50.74876 0.0128 -0.0047 -0.4815
13817
57 -50.74856 -0.0429 0.0526 -0.0869
13818
58 -50.74850 0.0606 -0.0534 0.0914
13819
59 -50.74818 -0.0530 0.0886 0.0254
13820
60 -50.74813 0.0511 -0.0746 -0.0231
13821
61 -50.73809 -0.0549 -0.1025 -0.1390
13822
62 -50.73807 0.0543 0.1005 0.1387
13823
63 -50.73671 -0.0860 -0.2612 -0.0708
13824
64 -50.73668 0.0866 0.2611 0.0718
13825
65 -50.71702 0.1251 -0.1663 0.2745
13826
66 -50.71699 -0.1273 0.1640 -0.2767
13827
67 -50.71107 -0.0762 0.4470 -0.0859
13828
68 -50.71102 0.0786 -0.4423 0.0873
13829
69 -50.70752 0.0159 0.0869 0.1322
13830
70 -50.70748 -0.0164 -0.0896 -0.1321
13831
71 -50.69744 -0.0463 -0.0980 -0.2322
13832
72 -50.69739 0.0477 0.1030 0.2332
13833
73 -50.69360 0.0278 0.1123 0.0986
13834
74 -50.69353 -0.0289 -0.1174 -0.0982
13835
75 -50.69156 -0.0297 -0.5587 0.1264
13836
76 -50.69154 0.0288 0.5563 -0.1273
13837
77 -50.67065 -0.0283 -0.0907 -0.1453
13838
78 -50.67063 0.0286 0.0915 0.1453
13839
79 -50.37978 -0.1578 -0.6063 -0.0061
13840
80 -50.37967 0.1587 0.6085 0.0061
13841
81 -50.36794 0.0386 0.1336 -0.0171
13842
82 -50.36780 -0.0382 -0.1268 0.0175
13843
83 -50.36314 0.2066 0.6689 0.0250
13844
84 -50.36304 -0.2078 -0.6712 -0.0254
13845
85 -50.34545 0.1143 -0.1079 0.0184
13846
86 -50.34532 -0.1154 0.1003 -0.0176
13847
87 -50.34024 0.1044 0.2147 -0.0470
13848
88 -50.34013 -0.1056 -0.2235 0.0467
13849
89 -50.32249 -0.0314 -0.2210 -0.0607
13850
90 -50.32236 0.0337 0.2308 0.0602
13851
91 -29.08020 0.0002 0.0016 0.0615
13852
92 -29.08020 -0.0002 -0.0016 -0.0615
13853
93 -29.07569 -0.0003 -0.0026 -0.0418
13854
94 -29.07569 -0.0000 0.0008 0.0418
13855
95 -29.07495 0.0003 0.0026 0.0087
13856
96 -29.07495 0.0000 -0.0007 -0.0087
13857
97 -29.06417 0.0007 -0.0008 0.0641
13858
98 -29.06417 -0.0008 0.0006 -0.0641
13859
99 -29.05159 -0.0713 -0.3975 -0.0002
13860
100 -29.05159 0.0713 0.3976 0.0002
13861
101 -29.04910 0.0711 0.3963 -0.0000
13862
102 -29.04909 -0.0711 -0.3963 0.0000
13863
103 -29.04705 0.0762 0.3942 -0.0014
13864
104 -29.04705 -0.0762 -0.3942 0.0014
13865
105 -29.03333 -0.0722 -0.3934 0.0001
13866
106 -29.03333 0.0722 0.3934 -0.0001
13867
107 -29.02457 0.0011 0.0067 0.1047
13868
108 -29.02457 0.0005 0.0021 -0.1047
13869
109 -29.02455 -0.0010 -0.0063 -0.1042
13870
110 -29.02455 -0.0005 -0.0027 0.1042
13871
111 -29.00455 -0.0719 -0.3891 0.0001
13872
112 -29.00454 0.0719 0.3891 -0.0001
13873
113 -29.00425 0.0738 0.4000 -0.0001
13874
114 -29.00423 -0.0738 -0.4000 0.0001
13875
115 -26.15001 0.0256 0.1077 0.0105
13876
116 -26.15001 -0.0256 -0.1078 -0.0105
13877
117 -26.13654 -0.0005 0.1120 -0.0773
13878
118 -26.13654 0.0006 -0.1114 0.0773
13879
119 -26.13444 -0.0072 -0.1090 0.0391
13880
120 -26.13444 0.0070 0.1083 -0.0391
13881
121 -26.10100 -0.0441 -0.0133 -0.0862
13882
122 -26.10100 0.0442 0.0137 0.0862
13883
123 -26.08895 -0.0180 -0.0183 0.1683
13884
124 -26.08895 0.0179 0.0177 -0.1683
13885
125 -26.08453 -0.0011 -0.0188 -0.2128
13886
126 -26.08453 0.0010 0.0181 0.2129
13887
127 -26.08420 0.0007 0.0312 0.3882
13888
128 -26.08420 -0.0004 -0.0291 -0.3883
13889
129 -26.08232 0.1825 -0.0561 -0.0679
13890
130 -26.08232 -0.1827 0.0546 0.0680
13891
131 -26.07528 0.0882 0.4151 -0.0048
13892
132 -26.07528 -0.0883 -0.4155 0.0048
13893
133 -26.07090 -0.0960 -0.3983 0.0076
13894
134 -26.07089 0.0961 0.3990 -0.0076
13895
135 -26.06390 0.0259 0.1396 0.0577
13896
136 -26.06388 -0.0255 -0.1405 -0.0572
13897
137 -26.06365 -0.0286 -0.1238 -0.1383
13898
138 -26.06363 0.0276 0.1225 0.1401
13899
139 -26.06319 -0.0036 -0.0715 -0.0186
13900
140 -26.06319 0.0042 0.0738 0.0163
13901
141 -26.04947 0.1106 0.5518 0.0004
13902
142 -26.04947 -0.1106 -0.5519 -0.0004
13903
143 -26.03387 -0.0027 0.0183 0.2158
13904
144 -26.03387 0.0032 -0.0140 -0.2158
13905
145 -26.03372 0.0027 -0.0160 -0.2137
13906
146 -26.03372 -0.0033 0.0115 0.2137
13907
147 -26.02148 -0.1096 -0.4988 -0.0011
13908
148 -26.02148 0.1096 0.4989 0.0011
13909
149 -26.02090 0.1159 0.5410 0.0009
13910
150 -26.02090 -0.1159 -0.5410 -0.0009
13911
151 -18.92799 -0.1763 -0.9835 -0.0395
13912
152 -18.92799 0.1763 0.9835 0.0395
13913
153 -18.85206 -0.1737 -0.9848 -0.0028
13914
154 -18.85206 0.1737 0.9848 0.0028
13915
155 -18.83205 0.1736 0.9848 0.0004
13916
156 -18.83205 -0.1736 -0.9848 -0.0004
13917
157 -18.27504 -0.1739 -0.9847 0.0002
13918
158 -18.27504 0.1739 0.9847 -0.0002
13919
159 -18.05890 -0.1736 -0.9847 -0.0001
13920
160 -18.05890 0.1736 0.9847 0.0001
13921
161 -17.86099 -0.1735 -0.9848 -0.0004
13922
162 -17.86099 0.1735 0.9848 0.0004
13923
163 -17.44162 -0.1737 -0.9846 -0.0001
13924
164 -17.44162 0.1737 0.9846 0.0001
13925
165 -17.19000 -0.1735 -0.9846 -0.0003
13926
166 -17.19000 0.1735 0.9846 0.0003
13927
167 -17.07076 -0.1739 -0.9846 -0.0003
13928
168 -17.07076 0.1739 0.9846 0.0003
13929
169 -14.82705 -0.1741 -0.9846 0.0001
13930
170 -14.82705 0.1741 0.9846 -0.0001
13931
171 -14.58359 0.1777 0.9839 0.0004
13932
172 -14.58359 -0.1777 -0.9839 -0.0004
13933
173 -14.39232 0.1739 0.9846 -0.0003
13934
174 -14.39232 -0.1739 -0.9846 0.0003
13935
175 -13.40698 -0.1711 -0.9852 0.0012
13936
176 -13.40698 0.1711 0.9852 -0.0012
13937
177 -13.20775 0.1715 0.9852 -0.0008
13938
178 -13.20775 -0.1715 -0.9852 0.0008
13939
179 -13.09397 0.1739 0.9848 -0.0009
13940
180 -13.09397 -0.1739 -0.9848 0.0009
13941
181 -7.66516 0.0052 -0.8817 -0.0547
13942
182 -7.66516 -0.0052 0.8817 0.0547
13943
183 -7.45082 -0.1184 -0.8125 0.0044
13944
184 -7.45082 0.1184 0.8125 -0.0044
13945
185 -7.25768 -0.1067 -0.6047 -0.0010
13946
186 -7.25767 0.1067 0.6047 0.0010
13947
187 -6.88535 -0.1085 -0.4986 -0.0020
13948
188 -6.88535 0.1085 0.4986 0.0020
13949
189 -6.84311 -0.0369 -0.1842 -0.0000
13950
190 -6.84311 0.0369 0.1842 0.0000
13951
191 -6.62528 0.0737 0.4134 0.0022
13952
192 -6.62524 -0.0737 -0.4134 -0.0022
13953
193 -6.59185 -0.0594 -0.3319 -0.0052
13954
194 -6.59182 0.0594 0.3319 0.0052
13955
195 -6.45858 0.0154 0.3308 0.0798
13956
196 -6.45857 -0.0440 -0.3346 -0.1149
13957
197 -6.45454 -0.0297 -0.0334 -0.1979
13958
198 -6.45453 0.0301 0.0363 0.1991
13959
199 -6.39877 -0.0007 0.0023 0.0054
13960
200 -6.39877 0.0018 0.0033 -0.0053
13961
201 -6.39546 -0.0083 -0.0105 0.0142
13962
202 -6.39546 0.0083 0.0112 -0.0145
13963
203 -6.27942 0.0556 0.3091 0.0112
13964
204 -6.27942 -0.0566 -0.3144 -0.0111
13965
205 -6.23465 -0.0543 -0.2931 0.0156
13966
206 -6.23465 0.0531 0.2863 -0.0157
13967
207 -6.06767 -0.0524 -0.3365 0.0048
13968
208 -6.06766 0.0531 0.3408 -0.0049
13969
209 -5.98900 0.0486 0.3057 0.0511
13970
210 -5.98900 -0.0481 -0.3029 -0.0512
13971
211 -5.95365 -0.0158 0.0058 -0.5414
13972
212 -5.95365 0.0161 -0.0042 0.5415
13973
213 -5.89538 -0.0016 0.0013 -0.0046
13974
214 -5.89538 0.0015 -0.0019 0.0046
13975
215 -5.78436 0.0305 0.1644 0.0070
13976
216 -5.78436 -0.0305 -0.1646 -0.0070
13977
217 -5.68804 -0.0134 -0.0831 -0.0020
13978
218 -5.68804 0.0132 0.0822 0.0020
13979
219 -5.42698 0.1465 0.8170 -0.0165
13980
220 -5.42694 -0.1419 -0.7916 0.0158
13981
221 -5.40427 -0.0211 -0.1110 0.0563
13982
222 -5.40424 0.0172 0.0894 -0.0554
13983
223 -5.36655 -0.0514 -0.4164 0.0925
13984
224 -5.36654 0.0503 0.4104 -0.0925
13985
225 -5.34623 -0.0066 -0.0890 -0.1529
13986
226 -5.34622 0.0068 0.0902 0.1526
13987
227 -5.28000 -0.0022 -0.0023 0.3233
13988
228 -5.28000 0.0023 0.0028 -0.3233
13989
229 -5.25000 0.0006 0.0016 -0.1946
13990
230 -5.25000 -0.0006 -0.0019 0.1946
13991
231 -5.01421 -0.0877 -0.6580 -0.0046
13992
232 -5.01420 0.0878 0.6586 0.0046
13993
233 -4.82866 -0.1049 -0.5803 0.0001
13994
234 -4.82865 0.1015 0.5614 -0.0001
13995
235 -4.77471 0.0997 0.5848 0.0001
13996
236 -4.77470 -0.0960 -0.5642 -0.0001
13997
237 -4.38161 0.1171 0.6723 -0.0004
13998
238 -4.38160 -0.1166 -0.6693 0.0004
13999
239 -4.24213 0.0797 0.4577 -0.0004
14000
240 -4.24213 -0.0794 -0.4556 0.0004
14001
241 -3.99106 -0.0547 -0.3060 -0.0004
14002
242 -3.99106 0.0550 0.3080 0.0004
14003
243 -3.84188 -0.0526 -0.2821 -0.0021
14004
244 -3.84188 0.0530 0.2849 0.0021
14005
245 -3.75712 0.0488 0.2768 0.0016
14006
246 -3.75712 -0.0481 -0.2719 -0.0016
14007
247 -2.98053 0.0812 0.4645 -0.0009
14008
248 -2.98053 -0.0819 -0.4684 0.0009
14009
249 -2.79739 0.0877 0.4632 0.0003
14010
250 -2.79739 -0.0881 -0.4659 -0.0003
14011
251 -2.59645 0.0857 0.4961 -0.0005
14012
252 -2.59644 -0.0859 -0.4979 0.0005
14013
253 -2.17608 0.0014 0.0018 -0.2658
14014
254 -2.17608 -0.0011 -0.0002 0.2658
14015
255 -2.03659 -0.0010 0.0004 0.1837
14016
256 -2.03659 0.0014 0.0017 -0.1837
14017
257 -1.92635 -0.0000 0.0011 0.2376
14018
258 -1.92635 0.0004 0.0010 -0.2376
14019
259 -1.32853 0.0630 0.5826 -0.0158
14020
260 -1.32853 -0.0636 -0.5855 0.0158
14021
261 -1.16533 -0.0911 -0.5653 0.0148
14022
262 -1.16533 0.0908 0.5633 -0.0148
14023
263 -1.07996 0.0015 0.0098 -0.8822
14024
264 -1.07996 -0.0015 -0.0103 0.8822
14025
265 -1.00856 -0.0853 -0.5739 0.0209
14026
266 -1.00856 0.0849 0.5718 -0.0209
14027
267 -0.96021 -0.0125 -0.0165 0.3732
14028
268 -0.96021 0.0123 0.0157 -0.3732
14029
269 -0.89542 -0.0042 0.0015 -0.5513
14030
270 -0.89542 0.0043 -0.0012 0.5513
14031
271 5.79077 -0.1903 -1.0807 0.0005
14032
272 5.79077 0.1905 1.0815 -0.0005
14033
273 6.10218 -0.1847 -1.0439 0.0006
14034
274 6.10218 0.1849 1.0448 -0.0006
14035
275 6.29161 -0.2027 -1.1357 -0.0056
14036
276 6.29161 0.2029 1.1367 0.0056
14037
277 6.93488 -0.2531 -1.4375 0.0099
14038
278 6.93488 0.2528 1.4354 -0.0099
14039
279 7.01688 -0.2640 -1.5121 0.0063
14040
280 7.01688 0.2636 1.5100 -0.0063
14041
281 7.22958 -0.2232 -1.2613 -0.0009
14042
282 7.22958 0.2232 1.2612 0.0009
14043
283 7.49591 0.2157 1.2346 -0.0090
14044
284 7.49591 -0.2153 -1.2326 0.0090
14045
285 7.62586 0.2316 1.3065 -0.0093
14046
286 7.62586 -0.2313 -1.3048 0.0093
14047
287 8.17015 -0.2913 -1.6535 -0.0104
14048
288 8.17016 0.2911 1.6523 0.0104
14049
289 9.13982 -0.2412 -1.3586 0.0519
14050
290 9.13984 0.2405 1.3550 -0.0518
14051
291 9.39341 0.0221 0.1273 -0.0798
14052
292 9.39343 -0.0219 -0.1263 0.0796
14053
293 9.53547 -0.0076 0.0303 1.1074
14054
294 9.53547 0.0076 -0.0303 -1.1072
14055
295 9.68208 -0.2356 -1.3459 0.1634
14056
296 9.68209 0.2349 1.3414 -0.1633
14057
297 9.82357 0.0030 0.0172 0.0688
14058
298 9.82357 -0.0027 -0.0154 -0.0688
14059
299 10.01970 0.0054 -0.0064 -1.0883
14060
300 10.01971 -0.0053 0.0066 1.0881
14061
301 10.37759 0.1716 0.9724 -0.0102
14062
302 10.37762 -0.1723 -0.9764 0.0102
14063
303 10.51269 0.1107 0.6117 0.2498
14064
304 10.51271 -0.1106 -0.6112 -0.2493
14065
305 10.64111 -0.1962 -1.1056 -0.2112
14066
306 10.64113 0.1960 1.1043 0.2107
14067
307 11.53331 0.2023 1.1477 0.0427
14068
308 11.53333 -0.2016 -1.1441 -0.0427
14069
309 11.81245 0.1029 0.5836 0.0894
14070
310 11.81245 -0.1031 -0.5847 -0.0893
14071
311 12.14118 -0.1463 -0.8324 -0.0552
14072
312 12.14122 0.1459 0.8305 0.0550
14073
313 12.89874 0.0101 0.0499 0.0210
14074
314 12.89875 -0.0085 -0.0410 -0.0207
14075
315 13.11163 0.0403 0.0308 -0.9051
14076
316 13.11163 -0.0410 -0.0343 0.9049
14077
317 13.46324 0.0038 0.0201 -0.0050
14078
318 13.46324 -0.0037 -0.0196 0.0050
14079
319 14.20759 0.0015 0.0304 0.0624
14080
320 14.20759 -0.0015 -0.0302 -0.0625
14081
321 14.71849 -0.0038 -0.0143 0.2830
14082
322 14.71849 0.0040 0.0157 -0.2829
14083
323 14.81628 -0.0213 -0.1142 -0.0147
14084
324 14.81632 0.0210 0.1123 0.0146
14085
325 14.96787 0.0363 0.1866 -0.0632
14086
326 14.96792 -0.0360 -0.1849 0.0633
14087
327 15.05360 -0.1161 -0.5722 0.0644
14088
328 15.05363 0.1169 0.5767 -0.0643
14089
329 15.19597 -0.0954 -0.3245 -0.5471
14090
330 15.19601 0.0938 0.3122 0.5467
14091
331 15.19863 0.0036 0.0038 0.5618
14092
332 15.19867 -0.0017 0.0100 -0.5616
14093
333 15.31947 0.0041 0.0239 -0.0661
14094
334 15.31947 -0.0043 -0.0250 0.0661
14095
335 15.82480 0.0028 -0.0027 0.0983
14096
336 15.82480 -0.0028 0.0028 -0.0983
14097
337 16.24874 0.1750 0.9711 0.0009
14098
338 16.24875 -0.1758 -0.9756 -0.0009
14099
339 16.62884 0.1153 0.6579 0.0086
14100
340 16.62884 -0.1160 -0.6625 -0.0086
14101
341 17.18374 -0.0580 -0.3348 -0.0120
14102
342 17.18375 0.0582 0.3365 0.0120
14103
343 17.55407 -0.0059 0.0013 0.7154
14104
344 17.55407 0.0066 0.0025 -0.7154
14105
345 17.75057 -0.1747 -1.1765 0.0345
14106
346 17.75057 0.1739 1.1717 -0.0346
14107
347 18.23479 -0.0368 -0.2038 -0.0955
14108
348 18.23479 0.0368 0.2040 0.0955
14109
349 18.53850 0.0011 0.0044 0.6955
14110
350 18.53850 -0.0009 -0.0032 -0.6954
14111
351 18.76554 0.0032 -0.0000 -0.9190
14112
352 18.76555 -0.0031 0.0002 0.9188
14113
353 19.21119 -0.0007 -0.0170 -0.2184
14114
354 19.21119 -0.0052 -0.0163 0.2183
14115
355 19.24866 -0.0089 -0.0266 0.1468
14116
356 19.24866 0.0152 0.0623 -0.1466
14117
357 19.44127 0.0061 0.0225 -0.0535
14118
358 19.44127 -0.0062 -0.0226 0.0536
14119
359 19.75416 0.0032 0.0015 1.2231
14120
360 19.75416 -0.0033 -0.0021 -1.2232
14121
361 20.20255 -0.0001 0.0002 -0.6046
14122
362 20.20255 0.0001 -0.0007 0.6046
14123
363 20.51024 0.0054 0.0219 -0.1400
14124
364 20.51024 -0.0055 -0.0223 0.1400
14125
365 21.07648 -0.0033 0.0101 0.7854
14126
366 21.07648 0.0033 -0.0104 -0.7854
14127
367 21.26308 -0.1301 -0.7694 -0.0201
14128
368 21.26309 0.1299 0.7683 0.0201
14129
369 21.33945 0.1281 0.7315 0.0105
14130
370 21.33946 -0.1279 -0.7302 -0.0105
14131
371 21.78861 0.1362 0.7751 0.0001
14132
372 21.78861 -0.1361 -0.7748 -0.0001
14133
373 25.90995 -0.2127 -1.2088 0.0066
14134
374 25.90995 0.2126 1.2085 -0.0066
14135
375 27.95818 0.1976 1.1452 -0.0002
14136
376 27.95818 -0.1975 -1.1448 0.0002
14137
377 31.13796 -0.2018 -1.1426 -0.0013
14138
378 31.13796 0.2019 1.1430 0.0013
14139
379 39.40581 0.1212 0.6876 -0.0000
14140
380 39.40581 -0.1211 -0.6872 0.0000
14141
381 42.22538 -0.1443 -0.8351 0.0053
14142
382 42.22538 0.1444 0.8352 -0.0053
14143
383 46.54510 0.1561 0.8867 0.0011
14144
384 46.54510 -0.1561 -0.8868 -0.0011
14145
385 50.27645 -0.1512 -0.8579 -0.0063
14146
386 50.27645 0.1512 0.8580 0.0063
14147
387 52.16722 -0.1406 -0.8019 -0.0041
14148
388 52.16722 0.1406 0.8019 0.0041
14149
389 53.96639 -0.1356 -0.7694 -0.0234
14150
390 53.96639 0.1356 0.7694 0.0234
Loggerhead is a web-based interface for Breezy
Version: 2.0.1