Reference Konfiguration:
TITEL =C:
LULTRA = T use ultrasoft PP ?
ICORE = 2 local potential
RWIGS = 1.640 wigner-seitz radius
Description
l E TYP RCUT TYP RCUT
0 .000 7 1.300 23 1.900
0 -.700 7 1.300 23 1.900
1 .000 7 1.200 23 1.900
1 -.700 7 1.200 23 1.900
2 -.300 7 1.900 23 1.900
RWIGS is the Wigner Seitz radius if empty spheres of
the same size are included for diamond. This radius gives
good projection operators for the partial local DOS.
NC d-PP is the local potential, s and p are US.
This is a very soft PP requiring only 270 eV cutoff, it
works well for bulk phases and surfaces.
The accuracy can be improved making the cutoffs smaller.
We have also used 1.4 instead of 1.9, but results are only
marginally effected.