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9 lines
538 B
Plaintext
9 lines
538 B
Plaintext
Hartwigsen-Goedecker-Hutter psp for B, from PRB58, 3641 (1998)
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5 3 010605 zatom,zion,pspdat
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3 1 1 0 2001 0 pspcod,pspxc,lmax,lloc,mmax,r2well
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0.433930 -5.578642 0.804251 0.000000 0.000000 rloc, c1, c2, c3, c4
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0.373843 6.233928 0.000000 0.000000 rs, h11s, h22s, h33s
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0.360393 0.000000 0.000000 0.000000 rp, h11p, h22p, h33p
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0.000878 0.000000 0.000000 k11p, k22p, k33p
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1.5 0.4339 0.5607645 rcutoff, rloc
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