mirror of https://github.com/abinit/abinit.git
12 lines
810 B
Plaintext
12 lines
810 B
Plaintext
Hartwigsen-Goedecker-Hutter psp for Y, from PRB58, 3641 (1998)
|
|
39 11 010605 zatom,zion,pspdat
|
|
3 1 2 0 2001 0 pspcod,pspxc,lmax,lloc,mmax,r2well
|
|
0.475000 13.217914 1.353178 0.000000 0.000000 rloc, c1, c2, c3, c4
|
|
0.414360 2.522621 -4.363769 0.000000 rs, h11s, h22s, h33s
|
|
0.406442 -0.569552 -3.020044 0.000000 rp, h11p, h22p, h33p
|
|
0.251526 -0.077005 0.000000 k11p, k22p, k33p
|
|
0.513304 -1.571003 0.627616 0.000000 rd, h11d, h22d, h33d
|
|
0.012450 -0.007507 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
|