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12 lines
811 B
Plaintext
12 lines
811 B
Plaintext
Hartwigsen-Goedecker-Hutter psp for Gd, from PRB58, 3641 (1998)
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64 18 010605 zatom,zion,pspdat
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3 1 3 0 2001 0 pspcod,pspxc,lmax,lloc,mmax,r2well
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0.517500 17.512556 -0.719534 0.000000 0.000000 rloc, c1, c2, c3, c4
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0.462014 1.551856 -3.068703 0.000000 rs, h11s, h22s, h33s
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0.456953 -0.058347 -1.697711 0.000000 rp, h11p, h22p, h33p
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0.535540 0.022024 -0.054301 k11p, k22p, k33p
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0.482368 -0.562601 0.000000 0.000000 rd, h11d, h22d, h33d
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0.053128 0.000000 0.000000 k11d, k22d, k33d
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0.273390 -21.923490 0.000000 0.000000 rf, h11f, h22f, h33f
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0.014666 0.000000 0.000000 k11f, k22f, k33f
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