EPW Forum

In my work,I have to do structure relaxation using vc-relax .Before that i converge k-ponits and ecutwfc.But during vc-relax i use more denser k-point.But if i set the convergenge threshold like below, forc_conv_thr = 1.0d-6 etot_conv_thr = 1.0d-6 conv_thr = 1.0d-9 / &IONS ion_dynamics = 'bfgs ...

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 ...

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.