TURBOMOLE Users Forum

TURBOMOLE Modules => Escf and Egrad => Topic started by: rubcaspac60 on February 03, 2015, 11:03:59 AM

Title: Obtaining the MO integrals (four-index transformation data)
Post by: rubcaspac60 on February 03, 2015, 11:03:59 AM

Good day,

I am a newbi in this program and I am looking to obtian the integrals of selected MO.
Specifically, I am looking for the KS-orbital integrals, is there a module which can give them to me?, and how are the indexed?

Thank you very much.

Title: Re: Obtaining the MO integrals (four-index transformation data)
Post by: christof.haettig on October 01, 2015, 10:54:00 AM

For this information you need a developer license.