BRMIX: very serious problems the old and the new charge density differ
Posted: Fri Apr 22, 2011 2:54 am
I have compiled VASP.5.2.2 successfully with openmpi, intel fortran 11 and GotoBlas2. When I use it for Boron, it works fine. But when I use it for metals, e.g. Cu, it print out the error
BRMIX: very serious problems the old and the new charge density differ
Is there some solution to this problem?
Thanks.
BRMIX: very serious problems the old and the new charge density differ
Is there some solution to this problem?
Thanks.