EPW Forum

Hello Hari Sir, I have changed npade to 20 and wscut to a little lower value. Now the code is running fine. Thank you for the help. But I wanted to clear one little thing with you. Is it okay to reduce the npade tag to a lower value say 20, 30, or even less than 10. How much reducing this value can ...

Hi sahildani, Can you please make sure you have W2F2.dvscf_paw_qXX files in your save directory? If not, you should have W2F2.dvscf_qXX files there and try to rename them in the format (W2F2.dvscf_paw_qXX). Let me know if this helps. Just one thing, the EPW calculations with PAW potential are not ...

Hello Sir, Thank you for all the explanation and suggestions. I took npade = 40 and wscut ~ more than the 10 times of the maximum phonon frequency (which was 12.856799 THz) = 0.5317142056018 eV in the input that I have shared. I will try to change these parameters to achieve N~300 and get back to ...

Dear Sir,
Thank you for the reply.
Please find the attached prefix.a2f file Regards
Sahil

Dear experts, I am trying to find superconducting critical temperature of a 2D material. When I try to do epw.x calculations, I met the following error: %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% Error in routine mix_broyden (1): factorization ...

Hello experts, I am trying to study the superconductivity in a 2D material using EPW v.5.4.1 I am facing an error when reading dvscf file: %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% Error in routine readint3paw (99): error opening ../Phonon/save/W2F2.dvscf_paw_q1 ...

Hi hlee Sir, We had already posted our query on Quantum Espresso User Forum, and I was under this impression that both EPW and QE deals with the electron phonon coupling, so it might help to post it here. I was in hopes that someone also faced this error in their superconductivity calculations and ...

I am facing an issue while doing EPC calculation (lambda.x) in Quantum Espresso (v6.4.1). The calculations were working fine in my PC, but on HPC I am getting this error while doing lambda.x and my lambda.out is completely empty. I am reproducing the electron-phonon coefficient of metallic fcc Pb ...

Dear all, Thank you for the suggestions. I had used Origin to plot lambda and alpha2F(w) together and getting results now. Please find the attachment. a2f1.jpg I wanted to ask few more things. The lambda must be the higher value (2.12) that I am getting from this plot? But this value is different ...

Dear all, I am using Quantum Espresso version 6.4.1 and trying to find superconducting parameters of CoO2 by following Example of Pb (Tutorial Tue.5). I am able to generate all the files but I am not getting how to plot Eliashberg function alpha2F(w) and EPC strength (lambda) together in one single ...