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7 lines
360 B
Plaintext
7 lines
360 B
Plaintext
Hartwigsen-Goedecker-Hutter psp for H, from PRB58, 3641 (1998)
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1 1 010605 zatom,zion,pspdat
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3 1 0 0 2001 0 pspcod,pspxc,lmax,lloc,mmax,r2well
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0.200000 -4.180237 0.725075 0.000000 0.000000 rloc, c1, c2, c3, c4
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0.000000 0.000000 0.000000 0.000000 rs, h11s, h22s, h33s
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1.36 .2 0. rcutoff, rloc
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