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12 lines
811 B
Plaintext
12 lines
811 B
Plaintext
Hartwigsen-Goedecker-Hutter psp for Co, from PRB58, 3641 (1998)
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27 17 010605 zatom,zion,pspdat
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3 1 2 0 2001 0 pspcod,pspxc,lmax,lloc,mmax,r2well
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0.355000 3.418391 0.482078 0.000000 0.000000 rloc, c1, c2, c3, c4
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0.259140 11.195226 -7.845825 0.000000 rs, h11s, h22s, h33s
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0.251425 -0.551464 -4.639237 0.000000 rp, h11p, h22p, h33p
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0.207915 -0.108249 0.000000 k11p, k22p, k33p
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0.221665 -12.075354 0.000000 0.000000 rd, h11d, h22d, h33d
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0.011475 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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