[Pw_forum] IR_RAMAN Spectra

k.manzoorolajdad kazem.manzoor at gmail.com
Sun Oct 25 10:09:03 CET 2015


hi Amir M. Mofrad

do you see this blog:

http://larrucea.eu/compute-ir-raman-spectra-qe/

On Thu, Oct 22, 2015 at 8:16 PM, Mofrad, Amir Mehdi (MU-Student) <
amzf5 at mail.missouri.edu> wrote:

> 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
>
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