mirror of https://github.com/abinit/abinit.git
12 lines
811 B
Plaintext
12 lines
811 B
Plaintext
Hartwigsen-Goedecker-Hutter psp for Zn, from PRB58, 3641 (1998)
|
|
30 12 010605 zatom,zion,pspdat
|
|
3 1 2 0 2001 0 pspcod,pspxc,lmax,lloc,mmax,r2well
|
|
0.510000 0.000000 0.000000 0.000000 0.000000 rloc, c1, c2, c3, c4
|
|
0.400866 4.278710 3.627342 2.849567 rs, h11s, h22s, h33s
|
|
0.539618 2.023884 0.431742 0.000000 rp, h11p, h22p, h33p
|
|
-0.025759 0.090915 0.000000 k11p, k22p, k33p
|
|
0.252151 -14.338368 0.000000 0.000000 rd, h11d, h22d, h33d
|
|
0.012767 0.000000 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
|