Direct RASSCF

Posted by Eric Brown on November 21, 2001 at 21:33:06:

Dear MOLCAS Users,

Has anyone had any luck performing RASSCF calculations when DIRECT has been specified in seward? The manual alludes to this capabiility. A sample input file would be much welcomed.

Best regards,
Eric

MOLCAS version 5.0 patch level 521

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• Re: Direct RASSCF Roland Lindh 09:07:03 11/22/01 (0) 130.235.28.62

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: Dear MOLCAS Users, : Has anyone had any luck performing RASSCF calculations when DIRECT has been specified in seward? The manual alludes to this capabiility. A sample input file would be much welcomed. : Best regards, : Eric : MOLCAS version 5.0 patch level 521