TURBOMOLE Users Forum
TURBOMOLE Modules => Define => Topic started by: Morbert on June 16, 2010, 01:31:16 PM
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Hi,
Just wondering if it's possible to set up a ROHF calculation with define, as opposed to directly manipulating the control file.
Thanks
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Of cause. That's the usual way to go. You can specify all required options in the MO menu.
Regards,
Christof