a question about the relax
Posted: Mon Oct 09, 2006 5:27 am
when I use vasp to relax a supercell, at the end of the output,it write
ZBRENT: fatal internal in brackting
system-shutdown; contact gK immediately
I don't understand this .
I hope who can tell me why it happen
my INCAR:
ISTART=0
ICHARG=2
LWAVE=.FALSE.
LCHARG=.FALSE.
ISIF=2
IBRION=2
NSW=1000
EDIFFG=-0.01
ISMEAR=0
GGA=PE
thank you very much
ZBRENT: fatal internal in brackting
system-shutdown; contact gK immediately
I don't understand this .
I hope who can tell me why it happen
my INCAR:
ISTART=0
ICHARG=2
LWAVE=.FALSE.
LCHARG=.FALSE.
ISIF=2
IBRION=2
NSW=1000
EDIFFG=-0.01
ISMEAR=0
GGA=PE
thank you very much