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9 lines
511 B
Plaintext
9 lines
511 B
Plaintext
Hartwigsen-Goedecker-Hutter psp for C, from PRB58, 3641 (1998)
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6 4 010605 zatom,zion,pspdat
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3 1 1 0 2001 0 pspcod,pspxc,lmax,lloc,mmax,r2well
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0.348830 -8.513771 1.228432 0.000000 0.000000 rloc, c1, c2, c3, c4
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0.304553 9.522842 0.000000 0.000000 rs, h11s, h22s, h33s
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0.232677 0.000000 0.000000 0.000000 rp, h11p, h22p, h33p
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0.004104 0.000000 0.000000 k11p, k22p, k33p
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1.5843663 0.2326770 0.5710369
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