[molpro-user] Problem in LMP2 calculations

Moilanen Jani jani.o.moilanen at jyu.fi
Thu Jan 24 08:58:40 GMT 2013


Dear Molpro users,

I am performing LMP2 calculations and encountered a problem.  If I use the REGION directive and density fitting approximation together, calculations crash during the LMP2 step without error message. If I carry out calculations without the REGION directive, they run perfectly fine. Please, can anyone advise me with this problem?

Best regards,

Jani Moilanen

P.S. I am using the Molpro version 2010.1.25.


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