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
a question about the relax
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yello
a question about the relax
Last edited by yello on Mon Oct 09, 2006 5:27 am, edited 1 time in total.
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a question about the relax
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Last edited by admin on Thu Oct 19, 2006 10:45 am, edited 1 time in total.