TURBOMOLE Users Forum

TURBOMOLE Modules => Ricc2 => Topic started by: uit on October 25, 2011, 01:25:08 PM

Title: linked runs
Post by: uit on October 25, 2011, 01:25:08 PM

Is it possible to run a scf calculation "linked" with the following rimpd/ricc2 calculation (i.e specified in the same control file) or do I have to run the scf calculation first? The manual comes out unclear on this point.

Regards

Espen

Title: Re: linked runs
Post by: uwe on October 31, 2011, 10:34:49 AM

Hi,

you can prepare the input first and then run all modules (dscf or ridft, ricc2, ...) in one job.

Regards,

Uwe