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12 lines
811 B
Plaintext
12 lines
811 B
Plaintext
Hartwigsen-Goedecker-Hutter psp for Er, from PRB58, 3641 (1998)
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68 22 010605 zatom,zion,pspdat
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3 1 3 0 2001 0 pspcod,pspxc,lmax,lloc,mmax,r2well
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0.505833 17.105293 -1.430953 0.000000 0.000000 rloc, c1, c2, c3, c4
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0.419948 2.144503 -3.984203 0.000000 rs, h11s, h22s, h33s
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0.414455 0.054087 -2.294477 0.000000 rp, h11p, h22p, h33p
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1.255135 -0.891960 0.749717 k11p, k22p, k33p
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0.418385 -0.999006 0.000000 0.000000 rd, h11d, h22d, h33d
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0.091862 0.000000 0.000000 k11d, k22d, k33d
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0.249126 -26.696809 0.000000 0.000000 rf, h11f, h22f, h33f
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0.021783 0.000000 0.000000 k11f, k22f, k33f
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