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Viewing changes to tests/Psps_for_tests/HGH/78pt.18.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

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tests/Psps_for_tests/HGH/78pt.18.hgh
 
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Hartwigsen-Goedecker-Hutter psp for Pt,  from PRB58, 3641 (1998) 
 
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   78  18  010605 zatom,zion,pspdat
 
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 3 1   2 0 2001 0  pspcod,pspxc,lmax,lloc,mmax,r2well 
 
4
  0.500000    5.445832    1.156382    0.000000   0.000000 rloc, c1, c2, c3, c4
 
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  0.409942    2.994366   -7.448772    4.243095          rs, h11s, h22s, h33s
 
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  0.398652   -0.225181   -3.776974    0.000000          rp, h11p, h22p, h33p
 
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              1.017060   -0.348213   -0.331919                          k11p, k22p, k33p
 
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  0.367964    0.632067   -5.755431    0.000000          rd, h11d, h22d, h33d
 
9
              0.226472   -0.114346    0.000000                          k11d, k22d, k33d
 
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  0.000000    0.000000    0.000000    0.000000          rf, h11f, h22f, h33f
 
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              0.000000    0.000000    0.000000                          k11f, k22f, k33f