[Pw_forum] Can we obtain spectra after running ph.x in QE?

[Florian Altvater]

QE can not draw your spectrum - which as xirainbow wrote you need to
write a script for - but it does calculate intensities at q=0 (and I
believe only for non-metals). To do that you need to specify epsil =
.true. in your ph.x input which calculates the effective charges and
then automatically prints the intensities along with the frequencies.

I ran into the same problem because I was searching for "intensities"
everywhere. It turned out that QE prefers physics lingo, and thus calls
it "cross section". Here is a tutorial for SiH4:
http://www.fisica.uniud.it/~giannozz/QE-Tutorial/tutorial_advph.html
Flo

Am 12.09.2014 um 10:10 schrieb xirainbow:
>> Is that possible to show or draw a (e.g.Raman or Infrared ) spectrum after  phonon calculations (ph.x).
>           QE can not do it directly. You must write code to do it.
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