EPW Forum

Hello I am using epw to get access to the electron-phonon coupling strengths, |g|. I can have |g| for nkf1=nkf2=nkf3 =64 or 120. But for denser grids like 160 or 168 I am getting this error:: Number of ep-matrix elements per pool : 455196672 ~= ******* Kb (@ 8 bytes/ DP) A selecq.fmt file was found ...

Dear Dr. Lee Thanks for your reply. during the epw.in run I am getting this error, the source of it is not clear for me. Is it coming from the inconsistency between nk1, nk2, nk3 and nkf1, nkf2, nk3. ? However, I've used the same nki's as in my nscf (coarse mesh) and the nkfi's are the same value as...

Dear H. Lee

Thanks for your reply. I applied the flag and it is printed now in my output. However, it is the absolute value of g (|g|).
I am wondering how I can access to all the g(k,q) and not the absolute value ?


Best regards,
Amir

Hi I have to calculate electron-phonon matrix elements for my system. I run ewp.in file, there are a set of outputs like *.mmn , *.nnkp ,etc. However, I do not know where to find the electron-phonon matrix elements. I will get them after running epw.x or even before that during ph.x ... ? I am just ...

Dear H. Lee

thanks a lot for your reply and the papers.
However, from a practical point of view , is there any flag or suitable tutorial which I can apply/follow and find the e-phonon matrix elements in Bloch basis ?!
Or maybe as my last choice I have to write a script for that?


Best regards,

Amir

Dear EPW users

I am using EPW to find electron-phonon coupling for my system. I was wondering if somebody in this forum knows about my question:

"Is it possible to get electron phonon coupling matrix elements in Bloch basis" in this method?

Best regards and thanks
Amir

Dear H. Lee Thanks a lot for your reply. Now, i have got understood how to set the nbndsub, albeit after that I applied the changes and run it again, I got another error __________________________________________epw_____________________________ .... k points = 512 in 112 pools 1 of 5 on ionode 2 of ...

Dear Lee Thank you very much for your reply. I am using "Program EPW v.5.1.0" version for epw with "Program PWSCF v.6.4.1" version for quantum espresso installed on our cluster. Please find below the output of epw calculation as I really couldn't upload my full output (with erorr : "Invalid file ext...

Dear epw users I am using the latest version of epw.x to calculate superconducting temperature of FeSe compound. I am getting this error every time that i run (I even tried "iverbosity = 2 " commented). this is the error: "forrtl: severe (174): SIGSEGV, segmentation fault occurred" along with my inp...

Dear epw users I am trying to do epw calculations for Pb. At first, phonon calculation with 8*8*8 (after one scf calculation with 16*16*!6*!*!*1) and then in the epw step I did one scf (8*8*8*1*1*1) and later on a nscf (216 points) calculation and finally epw.in (with nkf1=nkf2=nkf3=20 and nqf1=nqf2...