From owner-chemistry@ccl.net Sat Apr 20 08:02:00 2013 From: "Elham Abdolhamidi flight.66.ab,gmail.com" To: CCL Subject: CCL:G: Gaussian09 Message-Id: <-48582-130420075949-30117-XdFOh4NsMK6iF+NswXXwKQ*server.ccl.net> X-Original-From: "Elham Abdolhamidi" 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