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 -------------- next part -------------- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20140509/86f451ee/attachment.html
