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12 lines
811 B
Plaintext
12 lines
811 B
Plaintext
Hartwigsen-Goedecker-Hutter psp for Sm, from PRB58, 3641 (1998)
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62 16 010605 zatom,zion,pspdat
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3 1 3 0 2001 0 pspcod,pspxc,lmax,lloc,mmax,r2well
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0.523333 17.206792 -0.532803 0.000000 0.000000 rloc, c1, c2, c3, c4
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0.479677 1.723635 -2.659367 0.000000 rs, h11s, h22s, h33s
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0.490598 -0.082403 -1.111009 0.000000 rp, h11p, h22p, h33p
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-0.240300 1.200867 -1.054041 k11p, k22p, k33p
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0.470840 -0.410630 0.000000 0.000000 rd, h11d, h22d, h33d
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0.063352 0.000000 0.000000 k11d, k22d, k33d
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0.284040 -19.984292 0.000000 0.000000 rf, h11f, h22f, h33f
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0.011924 0.000000 0.000000 k11f, k22f, k33f
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