TURBOMOLE Users Forum

TURBOMOLE Modules => Define => Topic started by: Morbert on June 16, 2010, 01:31:16 PM

Title: ROHF calculation with define
Post by: Morbert on June 16, 2010, 01:31:16 PM

Hi,

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

Thanks

Title: Re: ROHF calculation with define
Post by: christof.haettig on July 20, 2010, 05:52:41 PM

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

Regards,
Christof