TURBOMOLE Users Forum

TURBOMOLE Modules => Ricc2 => Topic started by: Addiw7 on April 03, 2013, 03:48:46 PM

Title: Mulliken population analyses.
Post by: Addiw7 on April 03, 2013, 03:48:46 PM

I just want to make sure that I calculate properly mulliken charges. I have optimized excited state geometry and this is my starting geometry. Now I use define, I choose prop in last menu, and than pop. In this submenu I choose mul and I do not change anything, so *. Is that okay to calculate Mulliken charges in S1 state? And which module should I use to calculate it in ricc2? Simply ricc2?