Firefly and PC GAMESS-related discussion club
Learn how to ask questions correctly
Getting the thermochemical properties printed for a desired temperature on RE-RUN...and once hessian has been already computed..
There is a mistake that happened when I ran hessian, followed by printing of thermochemcial properties at various temperatures.. There are some more temperature values for which I need the thermochemistry data.
Now according to the manual, they get printed after hessian calculation. But it would be really time consuming now to re-run for hessian.
Is there any way it could be done in an easier manner? I mean by using the ground state geometry.
Tue Jul 7 '15 2:32pm
This message read 393 times