Ali Kazempour Physics department, Isfahan University of Technology 84156 Isfahan, Iran. Tel-1: +98 311 391 3733 Fax: +98 311 391 2376 Tel-2: +98 311 391 2375
----- Forwarded Message ---- From: ali kazempour <[email protected]> To: pw <pw_forum at pwscf.org> Sent: Wednesday, September 23, 2009 2:03:36 PM Subject: isolated atom Hi I want to get binding energy of O2 mulecule .For this I need the correct value for isolated atom energy. But when I change(reduce) the smearing ,the value of energy increase. So I DONT know which smearing should I use? the larger or the smaller? thanks Ali Kazempour Physics department, Isfahan University of Technology 84156 Isfahan, Iran. Tel-1: +98 311 391 3733 Fax: +98 311 391 2376 Tel-2: +98 311 391 2375 -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20090923/71a833e8/attachment.htm
