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11 lines
699 B
Plaintext
11 lines
699 B
Plaintext
Hartwigsen-Goedecker-Hutter psp for Ga, from PRB58, 3641 (1998)
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31 3 010605 zatom,zion,pspdat
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3 1 2 0 2001 0 pspcod,pspxc,lmax,lloc,mmax,r2well
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0.560000 0.000000 0.000000 0.000000 0.000000 rloc, c1, c2, c3, c4
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0.610791 2.369325 -0.249015 -0.551796 rs, h11s, h22s, h33s
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0.704596 0.746305 -0.513132 0.000000 rp, h11p, h22p, h33p
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0.029607 -0.000873 0.000000 k11p, k22p, k33p
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0.982580 0.075437 0.000000 0.000000 rd, h11d, h22d, h33d
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0.001486 0.000000 0.000000 k11d, k22d, k33d
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1.7 0.56 1.02 rcutoff, rloc
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