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12 lines
811 B
Plaintext
12 lines
811 B
Plaintext
Hartwigsen-Goedecker-Hutter psp for La, from PRB58, 3641 (1998)
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57 11 010605 zatom,zion,pspdat
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3 1 3 0 2001 0 pspcod,pspxc,lmax,lloc,mmax,r2well
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0.535000 19.909308 -1.474830 0.000000 0.000000 rloc, c1, c2, c3, c4
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0.551775 1.293272 -1.121819 0.000000 rs, h11s, h22s, h33s
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0.476308 1.172527 -0.828810 0.029857 rp, h11p, h22p, h33p
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0.524623 -0.030901 0.142077 k11p, k22p, k33p
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0.626672 0.328377 0.000000 0.000000 rd, h11d, h22d, h33d
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0.020900 0.000000 0.000000 k11d, k22d, k33d
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0.299310 -18.269439 0.000000 0.000000 rf, h11f, h22f, h33f
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0.007193 0.000000 0.000000 k11f, k22f, k33f
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