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12 lines
811 B
Plaintext
12 lines
811 B
Plaintext
Hartwigsen-Goedecker-Hutter psp for Sc, from PRB58, 3641 (1998)
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21 3 010605 zatom,zion,pspdat
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3 1 2 0 2001 0 pspcod,pspxc,lmax,lloc,mmax,r2well
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0.750000 0.000000 0.000000 0.000000 0.000000 rloc, c1, c2, c3, c4
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0.597079 1.835768 1.734309 1.418483 rs, h11s, h22s, h33s
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0.847994 0.784127 0.246733 0.000000 rp, h11p, h22p, h33p
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-0.008463 0.020913 0.000000 k11p, k22p, k33p
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0.454653 -3.859241 0.000000 0.000000 rd, h11d, h22d, h33d
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0.001430 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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