Dear Somayeh:
http://www.democritos.it/pipermail/pw_forum/2010-March/016343.html In many cases, goolging brings you to the answers, OK? Chan-Woo ------- Chan-Woo Lee, Ph.D. Postdoctoral Research Associate Department of Chemistry University of Pennsylvania 231 South 34th Street Philadelphia, PA 19104-6323 Phone: 1-215-898-3564 (Office) From: pw_forum-bounces at pwscf.org [mailto:[email protected]] On Behalf Of somayeh fotohi Sent: Tuesday, February 28, 2012 2:19 PM To: pw_forum at pwscf.org Subject: [Pw_forum] scf calculation Dear All I run .scf file. I get the following errors after 23 iterations in output file and running of .scf is stopped. from c_bands : error # 1 too many bands are not converged I really appreciate if anyone can help me. Thanks -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20120228/ad1c8bb0/attachment.htm
