[Pw_forum] scf calculation

Chan-Woo Lee cwandtj at gmail.com
Tue Feb 28 20:33:58 CET 2012

Dear Somayeh:




In many cases, goolging brings you to the answers, OK?





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:pw_forum-bounces at pwscf.org] 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.  



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