EPW Forum

Dear Zhi Yuan: In the phonon code of QE, lambda is calculated by using the "double-delta function approximation"; see the equations (2), (3), and (5) in the "A Appendix: Electron-phonon coefficients" of the page at https://www.quantum-espresso.org/Doc/ph_user_guide.pdf . In EPW, unless if you use de...

Dear Sylvester10: First, I would like to kindly ask you in the future to post the question separately in the corresponding board instead of posting it as replies to the announcements. Returning to your issue, as the error message says, for unknown reasons you can't download the Wannier90 code from h...

Dear Zhi Yuan:

Could you provide with us the relevant information such as (1) the plots which can show us how different EPW's lambda is from QE's one and (2) (at least) all inputs of QE and EPW calculations?

Sincerely,

H. Lee

Dear Aurelien: First, your issue is not related to the suspicious thing I mentioned in my previous post. Second, although it is obvious that something strange is happening in your calculations, unfortunately I can't give you the clear solution. The best way is to reproduce your calculations using al...

Dear Miao Gao: I would like to kindly ask you in the future to post the question separately in the corresponding board instead of posting it as replies to the announcements. I reposted your question and its answer from Hari here (https://forum.epw-code.org/viewtopic.php?f=6&t=1344). Sincerely, H. Lee

Dear all: For future reference, I reposted below the question from Miao Gao (AgentZero) and its answer from Hari Paudyal (hpaudya1). Sincerely, H. Lee [Question from Miao Gao (AgentZero)] Dear Dr. Lee, I download the develop version on 12th September. But I found that there is a minor bug in this de...

Dear Aurelien: Thank you for providing your inputs and outputs. Recently, when I implemented some functionality in EPW, I found one suspicious thing in the subroutine of qwindow which takes care of filtering q points. In order to confirm that this is related to your issue, I would like to kindly ask...

Dear plasmon: Probably, the following change in EPW v5.3 might be the cause of your error. Excerpt from https://docs.epw-code.org/doc/Releases.html Change in the file name of prefix.epmatwp (prefix.epmatwp1 changed into prefix.epmatwp) In addition, I don't know about EPW v5.0, but there might be add...

Dear Aurelien: For step 2, when I want to plot the phonon dispersion of the interpolated bands, no matter what value I include in fsthick I always obtain a q-list of 0 from the 238 initially found. My first question is: Shall I restart the step 1 calculation commenting out fsthick to have all k/q li...

Dear Mehmet: You can find the format of the q-point list file by looking at the source code as below: From grid.f90 in EPW/src directory: IF (mpime == ionode_id) THEN IF (filqf /= '') THEN ! load from file ! ! Each pool gets its own copy from the action=read statement ! WRITE(stdout, *) ' Using q-me...