[Pw_forum] info Raman spectrum

xirainbow nkxirainbow at gmail.com
Fri Aug 22 16:19:02 CEST 2014


> - which kind of pseudopotential  should i use? ultrasoft or norm conserving?;
          Only norm conserving.

>   •relaxed the structure (pw.x);
>   •scf of the structure with the new positions (pw.x);
>   • ph.x with <lraman> turn on;
>   • used dynmat.x for obtaining the frequencies mode.
               yes.




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