30 lines
373 B
Plaintext
30 lines
373 B
Plaintext
# atsym z nc nv iexc psfile
|
|
Ni 28 3 4 -001012 psp8
|
|
# n l f
|
|
1 0 2.0
|
|
2 0 2.0
|
|
2 1 6.0
|
|
3 0 2.0
|
|
3 1 6.0
|
|
3 2 8.0
|
|
4 0 2.0
|
|
# lmax
|
|
2
|
|
# l rc ep ncon nbas qcut
|
|
0 1.25 0.0 4 8 9.7
|
|
1 1.35 0.0 4 8 9.7
|
|
2 1.65 0.0 4 8 9.7
|
|
# lloc lpopt rc5 dvloc0
|
|
4 5 1.2 0.0
|
|
# l nproj debl
|
|
0 2 1.0
|
|
1 2 2.8
|
|
2 2 1.0
|
|
# icmod fcfact rcfact
|
|
3 3.0 1.7
|
|
# epsh1 epsh2 depsh
|
|
-12.0 12.0 0.02
|
|
# rlmax drl
|
|
6.0 0.01
|
|
0
|