mirror of https://github.com/abinit/abinit.git
12 lines
811 B
Plaintext
12 lines
811 B
Plaintext
Hartwigsen-Goedecker-Hutter psp for Pr, from PRB58, 3641 (1998)
|
|
59 13 010605 zatom,zion,pspdat
|
|
3 1 3 0 2001 0 pspcod,pspxc,lmax,lloc,mmax,r2well
|
|
0.532083 18.424739 -0.657669 0.000000 0.000000 rloc, c1, c2, c3, c4
|
|
0.526850 1.012621 -1.717982 0.000000 rs, h11s, h22s, h33s
|
|
0.458897 1.117060 -1.852109 0.000000 rp, h11p, h22p, h33p
|
|
0.314280 0.350982 -0.165254 k11p, k22p, k33p
|
|
0.747610 0.017571 0.000000 0.000000 rd, h11d, h22d, h33d
|
|
0.010905 0.000000 0.000000 k11d, k22d, k33d
|
|
0.300773 -17.897119 0.000000 0.000000 rf, h11f, h22f, h33f
|
|
0.008547 0.000000 0.000000 k11f, k22f, k33f
|