GUGA - known bug?


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Posted by pawel wielgus on December 21, 2005 at 12:19:43:

Dear MOLCAS Users,

a few posts ago (GUGA Errors) I reported some problems with GUGA/MRCI calculations. There is a post from 2000 which looks very similar:
/molcas/wwwboard/messages/messages.1/51.html

In my case GUGA crashes also only for bigger active space. There is an answer by R.Lindh, but when I went through the code I was not sure what to do.

Can I ask you for some more details? How to solve this problem?

Best regards,

Pawel Wielgus
Chemistry Department, Wroclaw University of Technology
POLAND


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