you can just edit by hand the dyn1 file and remove the dielectric
constants and effective charges, then rerun q2r
regards
On 11/4/19 9:29 AM, Dr. K. C. Bhamu wrote:
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 experiencethen you can save my computational time.
regards
Bhamu
On Mon, Nov 4, 2019 at 1:46 PM Lorenzo Paulatto <[email protected]
<mailto:[email protected]>> 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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--
Lorenzo Paulatto - Paris
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