Moreover, I've noticed that, even though I've set epsil = .false. for
the phonon calculation for a metal, the ph.x code seems to calculate a
(wrong) dielectric tensor if ldisp = .true.
Yes, quite annoying but I have gotten around to fix it. You can do a
dispersion calculation with start_q=2
On Tue, Sep 22, 2020 at 9:30 AM Jakob Kraus <
jakob.kr...@physik.tu-freiberg.de> wrote:
>
> judging from the matdyn.f90 source file, it seems possible to include
> LO-TO splitting in the calculation of the phonon DOS.
>
> However, I have not figured out the correct way to enter the direction
> of
On Tue, Sep 22, 2020 at 9:30 AM Jakob Kraus <
jakob.kr...@physik.tu-freiberg.de> wrote:
Moreover, I've noticed that, even though I've set epsil = .false. for
> the phonon calculation for a metal, the ph.x code seems to calculate a
> (wrong) dielectric tensor if ldisp = .true.
>
> Does ldisp
Hi everyone,
judging from the matdyn.f90 source file, it seems possible to include
LO-TO splitting in the calculation of the phonon DOS.
However, I have not figured out the correct way to enter the direction
of the q vector in the matdyn input file.
Could you provide with an example of a
