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12 lines
811 B
Plaintext
12 lines
811 B
Plaintext
Hartwigsen-Goedecker-Hutter psp for At, from PRB58, 3641 (1998)
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85 7 010605 zatom,zion,pspdat
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3 1 2 0 2001 0 pspcod,pspxc,lmax,lloc,mmax,r2well
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0.580000 13.520411 0.000000 0.000000 0.000000 rloc, c1, c2, c3, c4
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0.627827 0.945557 -0.965903 -0.190429 rs, h11s, h22s, h33s
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0.709823 0.527078 -0.318821 0.000000 rp, h11p, h22p, h33p
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0.480774 -0.034954 0.000000 k11p, k22p, k33p
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0.838365 0.468948 0.000000 0.000000 rd, h11d, h22d, h33d
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0.037544 0.000000 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
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