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B3LYP error

Posted: Tue Nov 12, 2013 12:56 am
by ccccc
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

Re: B3LYP error

Posted: Thu Sep 12, 2024 8:29 am
by support_vasp

Hi,

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VASP