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12 lines
811 B
Plaintext
12 lines
811 B
Plaintext
Hartwigsen-Goedecker-Hutter psp for Cs, from PRB58, 3641 (1998)
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55 9 010605 zatom,zion,pspdat
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3 1 3 0 2001 0 pspcod,pspxc,lmax,lloc,mmax,r2well
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0.540000 35.234438 -3.318070 0.000000 0.000000 rloc, c1, c2, c3, c4
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0.456821 -0.282378 -2.780956 0.000000 rs, h11s, h22s, h33s
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0.362467 -2.696733 -2.290940 0.000000 rp, h11p, h22p, h33p
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-2.748528 1.815069 1.204825 k11p, k22p, k33p
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0.761462 0.183754 0.000000 0.000000 rd, h11d, h22d, h33d
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0.010841 0.000000 0.000000 k11d, k22d, k33d
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0.333507 -17.948259 0.000000 0.000000 rf, h11f, h22f, h33f
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0.004760 0.000000 0.000000 k11f, k22f, k33f
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