CCL:G: Gaussian09
- From: "Elham Abdolhamidi"
<flight.66.ab_+_gmail.com>
- Subject: CCL:G: Gaussian09
- Date: Sat, 20 Apr 2013 07:59:49 -0400
Sent to CCL by: "Elham Abdolhamidi" [flight.66.ab- -gmail.com]
Dear members;
I want to calculate energy levels of a polymer(with about 65 carbon and
hydrogen atoms in it's unit cell)using Gaussian09. I also want to apply the
solvent effect. obviously It's not possible to apply PBC and Solvation,
simultaneously. So I use 15 unit cells and do the calculation on that with
DFT/B3LYP.But unfortunately , the program does not start calculation(it does
not respond). I do not have any idea about the reason.
I'll be so thankful for your help.
Best Regards