Dear QE-users, I am interested in phonon lifetime calculations. Before posting this question, I have read the related posts and Debernardi' thesis.
There two questions. I would really appreciate if anyone can help with any of these questions. 1. Is it possible to instruct d3.x program to output the third-order force constants (in the real space)? 2. In the output file si.anh_G, it outputs "Derivative of the force constants". How is this defined? If it is the third-order force constant, it should not be assigned to any q points. If not, how can I understand this term? Thanks, Hua -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20111229/5a632056/attachment.htm
