← Back to branch summary

~ubuntu-branches/debian/stretch/abinit/stretch

« back to all changes in this revision

Viewing changes to tests/Psps_for_tests/HGH/55cs.9.hgh

  • Committer: Bazaar Package Importer
  • Author(s): Christophe Prud'homme
  • Date: 2007-09-14 13:05:00 UTC
  • Revision ID: james.westby@ubuntu.com-20070914130500-1kzh2mrgo6ir4b6i
Tags: upstream-5.3.4.dfsg
Import upstream version 5.3.4.dfsg

Show diffs side-by-side

added added

removed removed

Lines of Context:
tests/Psps_for_tests/HGH/55cs.9.hgh
 
1
Hartwigsen-Goedecker-Hutter psp for Cs,  from PRB58, 3641 (1998) 
 
2
   55   9  010605 zatom,zion,pspdat
 
3
 3 1   3 0 2001 0  pspcod,pspxc,lmax,lloc,mmax,r2well 
 
4
  0.540000   35.234438   -3.318070    0.000000   0.000000 rloc, c1, c2, c3, c4
 
5
  0.456821   -0.282378   -2.780956    0.000000          rs, h11s, h22s, h33s
 
6
  0.362467   -2.696733   -2.290940    0.000000          rp, h11p, h22p, h33p
 
7
             -2.748528    1.815069    1.204825                          k11p, k22p, k33p
 
8
  0.761462    0.183754    0.000000    0.000000          rd, h11d, h22d, h33d
 
9
              0.010841    0.000000    0.000000                          k11d, k22d, k33d
 
10
  0.333507  -17.948259    0.000000    0.000000          rf, h11f, h22f, h33f
 
11
              0.004760    0.000000    0.000000                          k11f, k22f, k33f