B3LYP error
Posted: Tue Nov 12, 2013 12:56 am
Hi
Does anybody know about this error;
ERROR ROTDIA: Call to routine ZHEEV failed! Error code was 95
This is a B3LYP calculation. The calculation starts with no problem but before completing the fırst ionic loop it stops with this error.
Mnay thanks
Does anybody know about this error;
ERROR ROTDIA: Call to routine ZHEEV failed! Error code was 95
This is a B3LYP calculation. The calculation starts with no problem but before completing the fırst ionic loop it stops with this error.
Mnay thanks