ROHF calculation with define

Started by Morbert, June 16, 2010, 01:31:16 PM

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Morbert

Hi,

Just wondering if it's possible to set up a ROHF calculation with define, as opposed to directly manipulating the control file.

Thanks

christof.haettig

Of cause. That's the usual way to go. You can specify all required options in the MO menu.

Regards,
Christof