[Pw_forum] Error in routine bands
Feng, Zimin
Feng.Zimin at ireq.ca
Fri May 9 22:10:39 CEST 2014
use a k-mesh
________________________________
De : pw_forum-bounces at pwscf.org [mailto:pw_forum-bounces at pwscf.org] De la part de Caroline
Envoyé : 9 mai 2014 16:01
À : pw_forum at pwscf.org
Objet : [Pw_forum] Error in routine bands
Dear all,
I am doing Pwscf simple tutorials for Silicon. I am collecting band results for plotting:
bands.in
&bands
prefix = 'silicon'
outdir= '/tmp/espresso'
filband = 'bands.dat'
then run bands.x < bands.in
and get the error below
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
Error in routine bands (1):
gamma_only case not implemented
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
Could you please help?
Thanks
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