CCL: Thermochemistry at GAMESS
- From: "Alexandre Carli Freitas"
<acf(a)quimica.ufpr.br>
- Subject: CCL: Thermochemistry at GAMESS
- Date: Tue, 23 Oct 2007 15:10:09 -0400
Sent to CCL by: "Alexandre Carli Freitas" [acf%x%quimica.ufpr.br]
Hello. I'm working whit vibrational analisys at GAMESS, and I'd like to get
thermochemical data at several temperatures in the same calculation. When I use
the keyword TEMP= in the $FORCE group, I get these data for one temperature
only. If I try to use the same keyword more than once, for more than one value,
the program prints back thermochemistry only for the last one. Have somebody
already successfully done this kind of calculation? Thank you