mirror of https://github.com/abinit/abinit.git
9 lines
511 B
Plaintext
9 lines
511 B
Plaintext
Hartwigsen-Goedecker-Hutter psp for Si, from PRB58, 3641 (1998)
|
|
14 4 010605 zatom,zion,pspdat
|
|
3 1 1 0 2001 0 pspcod,pspxc,lmax,lloc,mmax,r2well
|
|
0.440000 -7.336103 0.000000 0.000000 0.000000 rloc, c1, c2, c3, c4
|
|
0.422738 5.906928 3.258196 0.000000 rs, h11s, h22s, h33s
|
|
0.484278 2.727013 0.000000 0.000000 rp, h11p, h22p, h33p
|
|
0.000373 0.014437 0.000000 k11p, k22p, k33p
|
|
1.8060253 0.4227380 0.7264170
|