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9 lines
508 B
Plaintext
9 lines
508 B
Plaintext
Hartwigsen-Goedecker-Hutter psp for O, from PRB58, 3641 (1998)
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8 6 010605 zatom,zion,pspdat
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3 1 1 0 2001 0 pspcod,pspxc,lmax,lloc,mmax,r2well
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0.247621 -16.580318 2.395701 0.000000 0.000000 rloc, c1, c2, c3, c4
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0.221786 18.266917 0.000000 0.000000 rs, h11s, h22s, h33s
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0.256829 0.000000 0.000000 0.000000 rp, h11p, h22p, h33p
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0.004476 0.000000 0.000000 k11p, k22p, k33p
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1.2155757 0.2217860 0.4815544
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