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Error in QMD with AM05
Posted: Tue Nov 09, 2010 3:07 pm
by Minakovd
Hello! Has anybody tried to use AM05? I perform QMD for Al but constantly get errors of ZHEEV/ZHEEVX/DSYEV/DSYEVX and warnings about 'wavefunction orthogonal band'. I have changed encut, prec, iwavpre etc.., have commented calling of zhegv subroutine of lapack. But it doesn't solve the problem.
Re: Error in QMD with AM05
Posted: Tue Sep 10, 2024 2:00 pm
by support_vasp
Hi,
We're sorry that we didn’t answer your question. This does not live up to the quality of support that we aim to provide. The team has since expanded. If we can still help with your problem, please ask again in a new post, linking to this one, and we will answer as quickly as possible.
Best wishes,
VASP