NBANDS-tag doesn't work.
Posted: Sun Oct 03, 2010 6:16 pm
When I set the NBANDS-tag in the INCAR file, it doesn't work.
Without setting NBADNS-tag, the default value for following INCAR file is NBANDS=8. But after I set it to 6, the actual value is still 8 in the OUTCAR file.
Anyone know why this NBANDS-tag doesn't work.
Thanks a lot.
Following is the INCAR file:
general:
System = fcc Si
#ICHARG=11 #charge read file
ENCUT = 240
ISMEAR = -5 #tetrahedron
NBANDS = 6
KPOINTS:
K-Points
0
Monkhorst Pack
21 21 21
0 0 0
POSCAR:
fcc Si:
3.9
0.5 0.5 0.0
0.0 0.5 0.5
0.5 0.0 0.5
1
cartesian
0 0 0
Without setting NBADNS-tag, the default value for following INCAR file is NBANDS=8. But after I set it to 6, the actual value is still 8 in the OUTCAR file.
Anyone know why this NBANDS-tag doesn't work.
Thanks a lot.
Following is the INCAR file:
general:
System = fcc Si
#ICHARG=11 #charge read file
ENCUT = 240
ISMEAR = -5 #tetrahedron
NBANDS = 6
KPOINTS:
K-Points
0
Monkhorst Pack
21 21 21
0 0 0
POSCAR:
fcc Si:
3.9
0.5 0.5 0.0
0.0 0.5 0.5
0.5 0.0 0.5
1
cartesian
0 0 0