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12 lines
811 B
Plaintext
12 lines
811 B
Plaintext
Hartwigsen-Goedecker-Hutter psp for Lu, from PRB58, 3641 (1998)
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71 25 010605 zatom,zion,pspdat
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3 1 3 0 2001 0 pspcod,pspxc,lmax,lloc,mmax,r2well
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0.497000 17.037053 -1.661610 0.000000 0.000000 rloc, c1, c2, c3, c4
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0.391206 2.184678 -5.432346 0.000000 rs, h11s, h22s, h33s
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0.393896 -0.719819 -2.723799 0.000000 rp, h11p, h22p, h33p
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0.152450 1.395416 -1.238744 k11p, k22p, k33p
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0.436518 -1.173245 0.000000 0.000000 rd, h11d, h22d, h33d
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0.072130 0.000000 0.000000 k11d, k22d, k33d
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0.232629 -31.852262 0.000000 0.000000 rf, h11f, h22f, h33f
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0.028006 0.000000 0.000000 k11f, k22f, k33f
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