Nodeless pseudopotentials

Posted by Young-Kyu Han on June 09, 2000 at 08:43:14:

I hope to calculate a molecule using the CASPT2 with
energy-adjusted nodeless RECP. Is it possible with the
present MOLCAS program? The manual comments on the
AIMP only.

If it is possible, please let me know the way to make
input breifly.

Thanks in advance.

Follow Ups:

• Re: Nodeless pseudopotentials R. Lindh 17:04:17 6/14/00 (0) 130.235.28.62

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: I hope to calculate a molecule using the CASPT2 with : energy-adjusted nodeless RECP. Is it possible with the : present MOLCAS program? The manual comments on the : AIMP only. : If it is possible, please let me know the way to make : input breifly. : Thanks in advance.