Thank you Feng. Could you elaborate on that please. I am doing tutorials to learn band structure calculation. Thanks alot,
On 9 May 2014 16:10, Feng, Zimin <Feng.Zimin at ireq.ca> wrote: > use a k-mesh > > ------------------------------ > *De :* pw_forum-bounces at pwscf.org [mailto:pw_forum-bounces at pwscf.org] > *De > la part de* Caroline > *Envoy? :* 9 mai 2014 16:01 > *? :* 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 > > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://pwscf.org/mailman/listinfo/pw_forum > -------------- next part -------------- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20140509/1802ba67/attachment.html
