EPW Forum

Dear Developers I was trying to get the scattering rates and the resistivity for my system using EPW v.5.1.0 (QE 6.4.1) and had to repeat it with the new version EPW v.5.3.1 (QE6.7). I am not sure why the resistivity results are almost doubled when using EPW v.5.3.1. The input files are the same ...

Dear developers I need to find the group velocity of phonons due to e-p interactions. 1. Can we use the frequency data in linewidth.phself to evaluate the phonon group velocity using the relation d(omega)/dq? 2. Also can someone please let me know how to calculate the distances among q points and k ...

Dear Dr. Sponce and experts I need to calculate the electron scattering rate for my system. I have finished the linewidth.elself successfully and trying to understand the content of the file. In my system there are 27 wannier bands and I have successfully wanniearized them. As a first step I have ...

Dear epw community I have a question regarding k- and q-meshes used in epw examples. In all of your test examples distributed with the package, have different ways of defining these: for example, GaN , Diamond and MgB2 has following and filkf and filqf have used different kind of meshes. I do not ...

I appreciate if anyone can answer this question.

Thank you

With regards
Inoka

Dear Dr. Samuel I have a question regarding the k-mesh and q-mesh in the fig5 in your recent EPW paper. EPW: Electron-phonon coupling, transport and superconducting properties using maximally localized Wannier functions by S. Ponc, E. R. Margine, C. Verdi, and F. Giustino. In that figure you have ...

Dear developers I have few questions ( truly a confusion) regarding the electron bandstructure, phonon dispersion curve, k-mesh and the q-mesh details in the epw calculation. 1. We input the path for the bandstructure from wannier functions in epw.in using wdata(i). However we are not specifying the ...

Dear developers I completed resistivity calculation of Aluminum using new epw version 5. I have used q grid 5x5x5, k-grid =10x10x10, nkf=10x10x10, nqf=10x10x10. But the resistivity is too high than the expected values. My wannierization is very good. So if I am correct, I believe ( as I have went ...

Dear Dr. Sponce Yes, I mean the "error opening wfc file" Is this then definitely a compilation error of epw? Can you please send me the instructions to compile epw in QE6.3? I wanted to install it in my system and try before I ask Supercomputer to re do it. I downloaded it from github link you have ...

Dear Dr. Samuel I downloaded it from https://gitlab.com/QEF/q-e/tags/qe-6.3 . And I have tried that example removing q and k parameters since I remembered they should be not there. The previous post is for that trial. As your instructions I downloaded it from github and tried again with QE6.3 in our ...