mirror of https://github.com/abinit/abinit.git
12 lines
811 B
Plaintext
12 lines
811 B
Plaintext
Hartwigsen-Goedecker-Hutter psp for Nb, from PRB58, 3641 (1998)
|
|
41 5 010605 zatom,zion,pspdat
|
|
3 1 2 0 2001 0 pspcod,pspxc,lmax,lloc,mmax,r2well
|
|
0.724000 4.021058 0.000000 0.000000 0.000000 rloc, c1, c2, c3, c4
|
|
0.699708 1.532651 1.428264 0.000000 rs, h11s, h22s, h33s
|
|
0.846672 0.609675 0.596788 0.000000 rp, h11p, h22p, h33p
|
|
-0.080816 0.125243 0.000000 k11p, k22p, k33p
|
|
0.516072 -2.696830 -1.694967 0.000000 rd, h11d, h22d, h33d
|
|
0.025653 -0.031541 0.000000 k11d, k22d, k33d
|
|
0.000000 0.000000 0.000000 0.000000 rf, h11f, h22f, h33f
|
|
0.000000 0.000000 0.000000 k11f, k22f, k33f
|