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