[Pw_forum] scf calculation
cwandtj at gmail.com
Tue Feb 28 20:33:58 CET 2012
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
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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