Dear Ehsan, I had the same issue. You just go to espresso-5.0.2/PP/src/bands.f90.There you swap the lines:
IF (gamma_only) CALL errore('bands','gamma_only case not implemented',1) And CALL read_file() Then, do configuration and compilation again. It worked for me. Thanks & Regards, Ajit On Tue, Feb 4, 2014 at 2:20 AM, ehsan targholi <targholi at gmail.com> wrote: > hi > i want to obtain band structure. i use of this method: > scf->nscf->bands > is right my method? > when i do this way the bands calculation give this error: > > > > %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% > Error in routine bands (1): > gamma_only case not implemented > > > %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% > > stopping ... > please help me to solve this problem. > > best regard > ehsan > graduate student of iust > > > _______________________________________________ > 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/20140204/daca0f16/attachment.html