[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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