EPW Forum

Hello Everyone!

just an update to this query. One needs to redo gamma point phonon calculations.
So i guess it cant be restarted with the old run.

Best wishes,
Dinesh

Hello Everyone, I used qe-6.2 version for EP coupling calculations in the past. Now, I want to include the lpolar correction to those calculations. i am just wondering if it possible to restart old calculations with lpolar flag = .true. Our cluster is going under maintenance for some weeks. I would ...

Hello Everyone, I have asked this question before, but I believe I did not make myself clear and point of query was lost. I am using EPW 5.0.0 version with QE 6.3 Here are my input files -- &inputepw prefix = 'cdte' amass(1) = -----, amass(2) = ------, outdir = './' iverbosity = 3 restart = .true ...

Dear Roxana,

Thank you very much it worked.

Best wishes,

I am using QE/6.3 and I want to use exclude_bands options from the wannier. I come across the following errors Error: dis_spheres_first_wann is larger than num_bands-num_wann+1 Error: examine the output/error file for details I have read the previous posts on this error message "http://epwforum.uk ...

Hello Samuel, Thank you very much fro your reply. The only difference in both the input files are fine k/q grids. I did more check to have some insight of the error. I noticed, with verbosity =3, the linewidth in epw.out and sum of linewidth over \phonon_mode in linewidth,elself are different. As ...

Hello, I am using QE 6.2 and epw 4.3. I am studying WSe2 single layer with spin orbit coupling (SOC). Here is my input epw file ###################################################-- &inputepw prefix = 'wse2' amass(1) = 183.84, amass(2) = 78.96, outdir = './' restart = .true. restart_freq = 5000 max ...

Hello Everyone, I am using EPW4.0 and I want to ask about the Eliashberg equation. My equation references are from PRB 87 024505 2013. In equation 11 of above paper, for Coulomb self-energy is the Coulomb potential treated differently for 3D and 2D case? I see only system_2D flag which does not give ...

Hello Samuel,

Thank you very much for the reply.
There is another way to solve that problem. with SOC ph.x writes $prefix.dyn.xml file and epw looks for $prefix.dyn_$q.xml file.
I tried and it worked. Please correct me if I am wrong.

Best wishes,
Dinesh

Hello Everyone, I am trying to use SOC in el-ph calculations. I found that with SOC in scf files, ph.x creates prefix.dyn$q.xml files but EPW looks for prefix.dyn$q files. I checked the lead example with SOC and found the same problem there. Since SOC does not change the phonon results significantly ...