[QE-users] How to plot phonon band structure with LO-TO splitting

Dr. K. C. Bhamu kcbhamu85 at gmail.com
Mon Nov 4 09:29:11 CET 2019


Dear Lorenzo,

My motive  is to plot phonon band structure with and without LO-TO
splitting in a single plot and I would run (may be  wrong but giving it a
try)  two separate gamma calculation one with epsil=.false. and other with .
true. for this.

If you have any previous experience then you can save my computational time.

regards
Bhamu


On Mon, Nov 4, 2019 at 1:46 PM Lorenzo Paulatto <paulatz at gmail.com> wrote:

> > Could someone please guide me how to plot phonon band structure with the
> > LO-TO splitting?
>
> LO-TO splitting is automatically included if you do the phonon
> calculation for an insulator (i.e. no smearing in pw.x)
>
> kind regards
>
> --
> Lorenzo Paulatto - Paris
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