Dear Paolo, Thanks for your reply. I found this archive before I sent a mail to the pw_forum.
http://www.democritos.it/pipermail/pw_forum/2005-August/002816.html However, I can not find PP/dost.f90 in the ESPRSSO-3.2 code. I understand that I should make a subroutine to do projected phonon DOS according to your attachment. Is that right? Can you give me some more hints on how to make this subroutine? Thanks! NiuLi --------------------------------- ??????-3.5G???20M?? -------------- next part -------------- An HTML attachment was scrubbed... URL: /pipermail/attachments/20070127/bd2a52fd/attachment.htm