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12 lines
811 B
Plaintext
12 lines
811 B
Plaintext
Hartwigsen-Goedecker-Hutter psp for Os, from PRB58, 3641 (1998)
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76 16 010605 zatom,zion,pspdat
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3 1 2 0 2001 0 pspcod,pspxc,lmax,lloc,mmax,r2well
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0.520000 5.613073 0.921955 0.000000 0.000000 rloc, c1, c2, c3, c4
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0.410578 2.785758 -6.692130 2.247034 rs, h11s, h22s, h33s
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0.422395 -0.590006 -3.018323 0.000000 rp, h11p, h22p, h33p
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0.870817 -0.412886 -0.139506 k11p, k22p, k33p
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0.380252 0.880133 -5.732892 0.000000 rd, h11d, h22d, h33d
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0.216440 -0.103221 0.000000 k11d, k22d, k33d
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0.000000 0.000000 0.000000 0.000000 rf, h11f, h22f, h33f
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0.000000 0.000000 0.000000 k11f, k22f, k33f
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