Dear sir I have a simple question regarding kpoints.will you please explain how to choose kpoints in Band structure calculations( after scf calculation) for different crystal structures.i know the crystal symmetry directions but i am not getting proper band structure.
with regards S.Appalkondaiah Research Schlor University of Hyderabad Hyderabad India -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20110222/8592ebda/attachment.htm
