PCM calculations


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Posted by Lluís Blancafort on October 06, 2006 at 12:02:33:

I have tried to run the PCM utility in RASSCF with Molcas5.4, but it has been removed.

Does PCM work with Molcas5.2, both in RASSCF and CASPT2?

What is the improvement of PCM in Molcas6.x with respect to 5.2 and 5.4?

Thanks!


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