EPW Forum

Hello Ma'am,

I checked again my calculations with zero and lower mu*. With zero mu, the "Min Superconducting gap" is also zero but even a small mu value (0.01) the "Min Superconducting gap" becomes negative. Would you like to comment on that please?

Thank you

Hello Ma'am,

As you can see that I am using muc=0.05, which is already very close to zero. Still I will check with zero and close to zero values and check what you suggest. Though I checked with higher values of muc but the problem persists.

Thank you
Shubham

Dear Hari Sir, I calculated DFT bands and phonon bands using EPW. The phonon bands are matching with the phonon calculated bands using DFPT. I have seen papers where the phonon DOS (phDOS) are matching with a2F at some extent but mine are not. Also, they are not as spiky as I have seen in papers. I ...

Yes Sir,
This file is working but it does not give me data file for the phonon bands, only Wannier bands are printed.
So how do I compare the phonon bands with phonon calculations and EPW calculation so that my phdos and a2F can match with some extent.

Shubham

I modified the weight but still same error. filkf is: 151 crystal 0.5000000 0.0000000 0.0000000 0.00662251656 0.4966660 0.0066660 0.0000000 0.00662251656 0.4933320 0.0133320 0.0000000 0.00662251656 0.4899980 0.0199980 0.0000000 0.00662251656 0.4866640 0.0266640 0.0000000 0.00662251656 0.4833300 0.03...

Dear Hari Sir, The error is following if I use the kpath I created using the way you explained but I am getting a 'divided by zero' error: The following have been reloaded with a version change: 1) compiler/intel-mpi/mpi-2019-v5 => compiler/intel-mpi/mpi-2020-v4 [cn138:247733:0:247733] Caught signal...

I am having some divided by zero issue while following this process in the EPW calculations, could you please tell me why this is happening?

One more thing, why don't I have sharp peaks in DOS and a2F like in most of the papers? Could you please throw some light on that?

Thank you

Yeah Thank you, I was trying the same, and there I had to delete all the brackets and non-arithmetic symbols and I am putting wk = *** as the weight of that k-point. Is that correct?

Dear Hari Sir,

Could you please tell me how I can generate filkf and filqf files which are needed for band_plot to get the phonon bands using EPW?

Thank you

Thank You Hari Sir for clarifying the query.

Shubham,
IIT Kharagpur, India