EPW Forum

Dear sponce, I use qe-6.4.0 package and the corresponding program EPW v.5.1.0 to start my work for calculating mobility. After Having done unfolding part, I set int_mob = .true. and carrier = .true. in the epw.in file to get the mobility. However, I find when the value of the parameter ncarrier is l...

Dear all, I encountered a problem when I was running the EPW code by using USPP: If only ecutwfc was defined or ecutwfc and ecutrho were both defined (ecutrho is small) in SCF and NSCF, and then the EPW ran well; however, the EPW would always keep at follow status and couldnt run to next step if ecu...

maybe you could change the frozwindow or nbnd to get better spread

Dear Dr. Samuel Ponc Thanks for your reply. According to your suggestion, we recalculated the EPW-interpolated phonon dispersion by QE-6.2.1 and EPW-4.3.1 with asr_typ = crystal, however, there is no difference between crystal and simple , and the phonon frequencies are still negative as well as no ...