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12 lines
811 B
Plaintext
12 lines
811 B
Plaintext
Hartwigsen-Goedecker-Hutter psp for Tc, from PRB58, 3641 (1998)
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43 7 010605 zatom,zion,pspdat
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3 1 2 0 2001 0 pspcod,pspxc,lmax,lloc,mmax,r2well
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0.673000 13.315381 0.000000 0.000000 0.000000 rloc, c1, c2, c3, c4
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0.677612 0.819218 0.348460 0.000000 rs, h11s, h22s, h33s
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0.784275 0.028673 0.658363 0.000000 rp, h11p, h22p, h33p
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-0.080760 0.140668 0.000000 k11p, k22p, k33p
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0.519890 -5.984224 0.721822 0.000000 rd, h11d, h22d, h33d
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0.026025 -0.041776 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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