Dear Paolo Giannozzi I reported a bug in the QHA DOS calculation a few weeks ago in hexagonal phases. The reason of this bug is that the ratio c/a in reciprocal lattice is a/c. I see that you corrected this bug in the hexagonal case but not in other cases, for example ibrav=6 (tetragonal). Thank you Uri Argaman Ben-Gurion University Israel -------------- next part -------------- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20140328/1d2e555c/attachment.html
