Dear pw_forum, I have a question.
Will "asr=simple", will work for Gamma point only. i.e at 0 0 0 dynamical matrices. If i use the asr.in file to execute case.dyn2 or case.dyn3 nothing was writing in asr.out file. If i use it for case.dyn1 which was related to (0 0 0) dynamical matrix, than only asr.out file consisting with modes and there frequencies. My system have 4 atoms which will get 12 modes. If it is like this I am getting mode frequencies like this below. mode cm-1 THz 1 0.00 0.00 2 0.00 0.00 3 0.00 0.00 4 161.75 4.8492 5 161.75 4.8492 6 161.75 4.8492 7 209.56 6.2826 8 209.56 6.2826 9 209.56 6.2826 10 342.04 10.2542 11 342.04 10.2542 12 342.04 10.2542 In this each three modes are having same frequencies. How can i get mode frequencies for another dynamical matrices. -------------- next part -------------- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20131003/90796304/attachment.html
