EPW Forum

Dear Hari Sir, 1. I have seen many papers where authors explicitly mention that phDOS and spectral density function (a2F(w)) both match at some extent. 2. Yes, I checked Wannier bands are matching with the DFT bands. Slight difference can be seen very far from the Fermi level. Will that affect my ca...

Dear H Lee Sir,
Could you please comment on the query? I have performed many trial calculations for el-ph and EPW but the a2F and phDOS is not matching.

Shubham

Thank you Hari Sir for the theoretical insight.
One more question has been raised in my head, maybe I'm being naive and not aware of the proper theory, that if the system having highly anisotropic SC gap then it should show a multi-gap character? Is there any condition like this?

Shubham

Dear all, Could anyone please tell me why my Allen-Dynes Tc and anisotropic Superconducting gap Tc are different? My input files can be found in my previous question, of which also I am looking for the answer. https://forum.epw-code.org/viewtopic.php?f=6&t=1761 Allen-Dynes Tc: Finish reading a2f fil...

Dear Lee, The phonon scf and el-ph inputs are: (Using Norm-conserving Pseudopotentials) &CONTROL calculation = "scf" verbosity='high' restart_mode = 'from_scratch', prefix = 'nsms', pseudo_dir = '../../pseudo/', outdir = './out/' / &SYSTEM a = 3.31634e+00 c = 3.19807e+01 degauss = 0.02 ecutwfc = 100...

Dear EPW Users and developer,

What can be the possible reason that my a2F and phDOS are not in good agreement?
I am attaching the figure showing the two quantities, kindly let me know what could be done to match them. I am using fine grids of k 120 120 1 and of q 120 120 1.

Sincerely,
Shubham

Dear EPW experts, Could anyone please tell me how to get a projected phonon linewidth on phonon specta according to the following figure? What are the necessary input tags in epw calculation and what is the basic gnuplot script? I can plot the linewidth along some k-path using: plot "linewidth.phsel...

Dear User,

Please match your el-ph q-points and epw coarse grid q-points. They should be same.

Shubham

Dear Gkafle,

Thank you for your quick response and a nice suggestion. Though I recently installed Fermisurfer and I could visualize the Fermi surface file.

Shubham

Dear EPW experts,
Could anyone please suggest how to remove these big balls in cube files?

Thanks in advance.