EPW Forum

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.

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

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.

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