Dear All, I have a quick question:
When doing phonon calculation for a unit cell, we need to set up a qpoints mesh. This mesh is built also based on M-K scheme, so the resulting coordinates and weight should be exactly the same as those for k points if the input grid is the same? say 5*5*5 for a cubic cell. Is my understanding correct? If so, why do we need to have such an additional setting of q points rather than just using k points mesh for both? Thanks. Caloma Ditrica PhD student from Penn State University -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20120108/0c0ae6a8/attachment.htm