[Pw_forum] scf calculation

[Chan-Woo Lee]

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: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.  

Thanks

 

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