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plot only phonon bandstructure

Posted: Sun Nov 27, 2016 3:33 pm
by huebener
Dear All,

A very simple question: I would like to use EPW to plot only the phonon bandstructure, without going through the e-ph coupling calculations etc. Is that possible?

Background: I have done a series of quite heavy calculations of e-ph couplings, that require

Code: Select all

etf_mem = .false.
so I cannot restart it with a simple

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band_plot= .true.
Instead, I would like to start a new EPW run that reads the same phonons etc. from ph.x (which were also costly), but then jumps immediately to the band-interpolation routine.

Thank you very much for your help and my apologies in case I have overlooked the documentation for this.

Cheers,
Hannes

Re: plot only phonon bandstructure

Posted: Mon Nov 28, 2016 9:35 am
by carla.verdi
Technically you can't skip the interpolation of the e-ph matrix elements, but there is a way to get the phonon band structure fast: just use band_plot=.true. (no self-energy etc calculation), nkf1=nkf2=nkf3=1 (you don't care about many k-points) and filqf=your BZ path for the phonons. In this way it should be very fast!

Cheers
Carla