[Pw_forum] IR_RAMAN Spectra
Mofrad, Amir Mehdi (MU-Student)
amzf5 at mail.missouri.edu
Thu Oct 22 18:46:00 CEST 2015
Dear all,
I would like to get the IR and Raman spectra of silicon using Quantum Espresso. So far I have realized that the prerequisites for such a purpose is to do scf calculation, phonon calculation, and diagonalization. However, I am not sure if I have followed the procedure properly. I would really appreciate it if someone would tell me a step by step instruction to reach that goal.
Best regards,
Amir M. Mofrad
University of Missouri
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20151022/b003d185/attachment.html>
More information about the users
mailing list