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by hpaudya1
Mon May 15, 2023 1:32 pm
Forum: Running the code
Topic: filqf and filkf generation
Replies: 1
Views: 2948

Re: filqf and filkf generation

Hi Ru,

The key flags for band_plot are the following;

Code: Select all

  band_plot   = .true.
  filkf       = 'path.dat'
  filqf       = 'path.dat'
where 'path.dat' contains generated k/q points along the path.

For more detail you can see: qe-7.1/test-suite/epw_base/epw4.in

Happy EPWing,
Hari
by hpaudya1
Sat May 06, 2023 1:42 pm
Forum: General discussion
Topic: Lambda does not converge
Replies: 1
Views: 13975

Re: Lambda does not converge

Hi Adam,

Can you say what is the value of fsthick in your calculation? A recommended value of degaussw is fsthick/4.

Happy EPWing,
Hari
by hpaudya1
Sat May 06, 2023 1:39 pm
Forum: Running the code
Topic: Superconducting gap using isotropic Eliashberg equation.
Replies: 1
Views: 1854

Re: Superconducting gap using isotropic Eliashberg equation.

Hi Bikash, This is possible. The BCS gaps is only an initial guess while solving Eliashberg equations. There are other parameters, such as lambda, to calculate gap. You need to provide us further information (for eg. k/q mesh) including the plots (eg. gap vs tc) to understand if the calculation is c...
by hpaudya1
Tue Apr 25, 2023 2:10 pm
Forum: Running the code
Topic: phDOS and a2F not matching
Replies: 17
Views: 25444

Re: phDOS and a2F not matching

Hi Shubham, The code did not crash because of the 'kpath.dat' but it crashed reading your epw input file. I have cleaned up your epw input file, which should work fine for band_plot = .true. -- &inputepw prefix = 'nsms', outdir = './out/' ep_coupling = .true. elph = .true. epbwrite = .true. epbread ...
by hpaudya1
Mon Apr 24, 2023 1:44 pm
Forum: Running the code
Topic: phDOS and a2F not matching
Replies: 17
Views: 25444

Re: phDOS and a2F not matching

Hi Shubham,

The weight of the k-points should be 1/(total number of k-points). For the ref. you can see 1/100 in the viewtopic.php?t=1226.

Happy EPWing,
Hari
by hpaudya1
Thu Apr 20, 2023 9:58 pm
Forum: Running the code
Topic: phDOS and a2F not matching
Replies: 17
Views: 25444

Re: phDOS and a2F not matching

Yes, I think. You need to make sure that the format of you file should be same as the one shown in the post.

Happy EPWing,
Hari
by hpaudya1
Thu Apr 20, 2023 9:53 pm
Forum: Running the code
Topic: Tc v/s Delta plot
Replies: 3
Views: 2691

Re: Tc v/s Delta plot

Hi Prerna,

I tested your data quickly and got the following plot by varying dbin. If you properly run the script I shared, it should work.
aa.png
aa.png (60.3 KiB) Viewed 2609 times
Happy EPWing,
Hari
by hpaudya1
Tue Apr 18, 2023 11:09 pm
Forum: Running the code
Topic: phDOS and a2F not matching
Replies: 17
Views: 25444

Re: phDOS and a2F not matching

Hi Shubham,

Can you check the following post? viewtopic.php?t=1226

Happy EPWing,
Hari
by hpaudya1
Tue Apr 18, 2023 11:01 pm
Forum: Running the code
Topic: Tc v/s Delta plot
Replies: 3
Views: 2691

Re: Tc v/s Delta plot

Hi Prerna,

Could you send me your "egnv" and "prefix.imag_aniso_002.00" files for further investigation. You can send me an email, please check your private message.

Happy EPWing,
Hari
by hpaudya1
Mon Apr 17, 2023 5:42 pm
Forum: Running the code
Topic: Tc v/s Delta plot
Replies: 3
Views: 2691

Re: Tc v/s Delta plot

Hi Prarena, You can play with the parameter 'dbin' here https://gitlab.com/QEF/q-e/-/blob/develop/EPW/src/io_eliashberg.f90#L2812 You do not need to re-run the whole calculation, you can use the attached piece of code. Please make a clean directory, copy this code (delta_postproc.f90), and compile i...

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