Dear all, 1) It is a question about convergence study of phonon frequencies. Suppose that one performs a convergence study for just one q-point (say Gamma for example), is it reasonable to expect that results will be reliable for other q-points ?
2) this is a comment about the input card "dos" in the matdyn.f90 file: ! dos if .true. calculate phonon Density of States (DOS) ! using tetrahedra and a uniform q-point grid (see below) ! NB: may not work properly in noncubic materials Does the last line mean : (a) Do not use it with non cubic symmetries. (b) One may use it, but results should be carrefuly checked for eventual problems. In this case, wath kind of problems one may expect. thank you for comments and suggestions. regards. -- Hichem Bouderba d?partement de physique Universit? de Batna Alg?rie -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20120109/fcfc9a9e/attachment.htm
