From owner-chemistry %-% at %-% ccl.net Mon Sep 21 13:58:01 2015 From: "sina rastegar snrstgr535 _ gmail.com" To: CCL Subject: CCL: A DFT calculation for Cd and sulfur nanoparticle Message-Id: <-51756-150921133538-12882-EDGcmBdDGcxuOgjYbhqXxw~!~server.ccl.net> X-Original-From: "sina rastegar" Date: Mon, 21 Sep 2015 13:35:37 -0400 Sent to CCL by: "sina rastegar" [snrstgr535[-]gmail.com] Hi All, My system has 600 atoms including cadmium and sulfor, I am interested to do DFT calculation (electronic structure study) for the system. What kind of software is more affordable and what level of theory is the best? Thanks in advance, Sina