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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

Please note that NBANDS divided by NPAR must be an integer when you parallelize over bands. By default NPAR = # number of cores (provided you only use 1 mpi-rank/core). So I guess you are using four or eight cores.

Cheers,
/Dan


<span class='smallblacktext'>[ Edited Sun Oct 03 2010, 09:09PM ]</span>

[quote author= # number of cores (provided you only use 1 mpi-rank/core). So I guess you are using four or eight cores.

Cheers,
/Dan


[/quote]

Yes, you are right. I used 4 core.

Thanks a lot！