TURBOMOLE Users Forum

TURBOMOLE Modules => Escf and Egrad => Topic started by: Punix on June 09, 2017, 09:34:59 am

Title: Temperature of Raman scatt. cross sections
Post by: Punix on June 09, 2017, 09:34:59 am
Dear TM users,

Is there a way to manipulate the vibrational temperature of your Raman scatt. cross sections in the intense program. It automatically prints them out at 298.15 K and of course I can recalculate them for a different T myself but I was just wondering if there might be a command or addition of something to the program that would already do that.

Thanks,
Punix