Re: Stuck CASPT2 Calculation

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Posted by Valera Veryazov on June 19, 2013 at 15:24:36:

In Reply to: Re: Stuck CASPT2 Calculation posted by Oscar on June 19, 2013 at 12:48:01:

Hi,
this is a very bad idea to set up MOLCASMMEM larger than 75% of physical RAM. It can dramatically degradate performance.



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if B is 1s22s22p1, what is Li?

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