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12 lines
811 B
Plaintext
12 lines
811 B
Plaintext
Hartwigsen-Goedecker-Hutter psp for Tb, from PRB58, 3641 (1998)
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65 19 010605 zatom,zion,pspdat
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3 1 3 0 2001 0 pspcod,pspxc,lmax,lloc,mmax,r2well
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0.514583 17.603616 -0.828080 0.000000 0.000000 rloc, c1, c2, c3, c4
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0.448694 1.718481 -3.435239 0.000000 rs, h11s, h22s, h33s
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0.424220 0.562400 -2.781827 0.000000 rp, h11p, h22p, h33p
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-0.008725 1.144007 -0.860425 k11p, k22p, k33p
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0.482809 -0.625802 0.000000 0.000000 rd, h11d, h22d, h33d
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0.051754 0.000000 0.000000 k11d, k22d, k33d
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0.268260 -22.911697 0.000000 0.000000 rf, h11f, h22f, h33f
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0.016197 0.000000 0.000000 k11f, k22f, k33f
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