The vibrational mode-resolved phonon dispersion and PhDOS.

Running EPW
1

Is there anyone who calculated the vibrational mode-resolved phonon dispersion and PhDOS.Please help to understand to extract the data from matdyn.modes for projected phonon dispertion and PHDos.

2

Hi Abir,

Do you mean mode resolved phDOS from EPW calculations?

From EPW calculations, you can get mode-resolved PhDOS by using eliashberg=.true.


Regards,
Shashi

3

Dear sir,
I want to get the Phnon dispertion and PhDos .Where the Phdos and Phnon dispertion is shown with atom contribution in xy and Z direction.WHich could be read from ph.x and matdyn.x run where we get the matdyn.modes from which we can plot Phnon dispertion and PHdos with aomic contribution in xy and Z plane.

4

Hi Abir,

For xy and Z contributions, you can use the Quantum ESPRESSO matdyn. modes file.

From EPW, you can get interpolated phonon dispersion by setting

band_plot=.true.
filqf=‘qpath file’

For phonon DOS in EPW, use

eliashberg =.true.

Hope it helps.

Regards,
Shashi