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12 lines
811 B
Plaintext
12 lines
811 B
Plaintext
Hartwigsen-Goedecker-Hutter psp for Ce, from PRB58, 3641 (1998)
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58 12 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 18.847470 -0.765636 0.000000 0.000000 rloc, c1, c2, c3, c4
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0.521790 1.321616 -1.700444 0.000000 rs, h11s, h22s, h33s
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0.470324 0.972641 -1.451337 0.000000 rp, h11p, h22p, h33p
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0.463710 0.090257 0.012566 k11p, k22p, k33p
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0.703593 0.074241 0.000000 0.000000 rd, h11d, h22d, h33d
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0.013265 0.000000 0.000000 k11d, k22d, k33d
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0.306717 -17.214790 0.000000 0.000000 rf, h11f, h22f, h33f
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0.007568 0.000000 0.000000 k11f, k22f, k33f
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