EPW Forum

Hi, You can obtain average relaxation time as explained in PHYSICAL REVIEW APPLIED 9, 024019 (2018) by Eqn. A10 for any given band. Otherwise, one should incorporate the information of tau_{n,k} at each point of band structure corresponding to E_{n,k}. In case, you are trying to incorporate this inf...

Hi everyone, I am using QE-6.4 which supports EPW calculation with USPPs. I am facing a problem in wannierization step in the EPW calculations with USPPs. Basically, code is running in the background. It is stuck at the following in EPW.out file:: - Number of bands is ( 26) - Number of total bands i...

Thank you, Sir.

I don't know anything about meshes you are using whether they will improve things or not. However, you please paste a few lines of main output of linewidth.elself file. Actually, for 2D system, Sigma_el-ph is inversely proportional to V_BZ or directly proportional to real space Volume which is quite...

Dear Sir,

I have one more question related to output written in the linewidth.phself file i.e. Why there is no information related to electronic band index in the output? I checked to change the iverbosity flag, but the output is printed in the same format without any electronic information.

Dear Sir, Do the number I am getting are very small. I am pasting a small portion of linewidth.phself output file (with degaussw =0.15 eV and nkf1=nkf2=50,nkf3=1). I have 8 atoms (24 modes) in the system. Can you help me to know where things are going wrong? # Phonon frequency and phonon lifetime in...

Dear all, I am dealing with the monolayer of a system for which I am interested in computing phonon self-energy for ZA phonon branch only. I am trying to calculate phonon self-energy using EPW. I am getting linewidth of the order of 10^-13 to 10-^8 meV depending on degaussw used. I want to know what...