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12 lines
811 B
Plaintext
12 lines
811 B
Plaintext
Hartwigsen-Goedecker-Hutter psp for Nd, from PRB58, 3641 (1998)
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60 14 010605 zatom,zion,pspdat
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3 1 3 0 2001 0 pspcod,pspxc,lmax,lloc,mmax,r2well
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0.529167 17.815030 -0.594798 0.000000 0.000000 rloc, c1, c2, c3, c4
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0.503000 1.529110 -2.153732 0.000000 rs, h11s, h22s, h33s
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0.467013 0.721553 -1.647499 0.000000 rp, h11p, h22p, h33p
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-0.214396 1.100446 -0.832670 k11p, k22p, k33p
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0.325290 -0.543240 0.000000 0.000000 rd, h11d, h22d, h33d
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0.611413 0.000000 0.000000 k11d, k22d, k33d
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0.294743 -18.520228 0.000000 0.000000 rf, h11f, h22f, h33f
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0.009598 0.000000 0.000000 k11f, k22f, k33f
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