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# $Id: nwxc_pspw_1ne.nw 23503 2013-01-29 01:46:38Z d3y133 $
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# LDA exchange-correlation
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boundary_conditions aperiodic
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SC 20.0 #Not checking automatic unit cell generation
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lcao #added 3/26/10 because of changed default
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# GGA exchange-correlation
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boundary_conditions aperiodic
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SC 20.0 #Not checking automatic unit cell generation
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lcao #added 3/26/10 because of changed default
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boundary_conditions aperiodic
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SC 20.0 #Not checking automatic unit cell generation
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lcao #added 3/26/10 because of changed default
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boundary_conditions aperiodic
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SC 20.0 #Not checking automatic unit cell generation
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lcao #added 3/26/10 because of changed default
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# boundary_conditions aperiodic
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# SC 20.0 #Not checking automatic unit cell generation
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# lcao #added 3/26/10 because of changed default
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boundary_conditions aperiodic
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SC 20.0 #Not checking automatic unit cell generation
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lcao #added 3/26/10 because of changed default
90
boundary_conditions aperiodic
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SC 20.0 #Not checking automatic unit cell generation
94
lcao #added 3/26/10 because of changed default
101
boundary_conditions aperiodic
103
SC 20.0 #Not checking automatic unit cell generation
105
lcao #added 3/26/10 because of changed default
112
boundary_conditions aperiodic
114
SC 20.0 #Not checking automatic unit cell generation
116
lcao #added 3/26/10 because of changed default
123
boundary_conditions aperiodic
125
SC 20.0 #Not checking automatic unit cell generation
127
lcao #added 3/26/10 because of changed default
134
boundary_conditions aperiodic
136
SC 20.0 #Not checking automatic unit cell generation
138
lcao #added 3/26/10 because of changed default
145
boundary_conditions aperiodic
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SC 20.0 #Not checking automatic unit cell generation
149
lcao #added 3/26/10 because of changed default