From owner-chemistry@ccl.net Thu Sep 11 15:33:01 2014 From: "Mariusz Radon mariusz.radon!A!gmail.com" To: CCL Subject: CCL: scripts for DOS Message-Id: <-50489-140911153147-8533-OL5CrhTkGgDrnuzzuv7QQw^_^server.ccl.net> X-Original-From: Mariusz Radon Content-Transfer-Encoding: 7bit Content-Type: text/plain; charset=UTF-8 Date: Thu, 11 Sep 2014 21:31:35 +0200 MIME-Version: 1.0 Sent to CCL by: Mariusz Radon [mariusz.radon[]gmail.com] On 09/11/2014 08:30 PM, Jeya Vimalan jeyavimalan2k*|*gmail.com wrote: > dear collegues, > > does anyone have a handy script to calculate > density of states from the chk file/output produced > from G09 file to make a publication quality figure. > > Can any one help me with this. > vimal. > > > Have you tried GaussSum? http://gausssum.sourceforge.net/ScreenC_big.jpg Greetings, Mariusz Radon -- Dr Mariusz Radon, Ph.D. Coordination Chemistry Group Faculty of Chemistry Jagiellonian University ul. Ingardena 3, 30-060 Krakow, Poland http://www2.chemia.uj.edu.pl/~mradon