Search found 95 matches

by hpaudya1
Sun Oct 10, 2021 6:25 pm
Forum: Superconductivity
Topic: Solve anisotropic Eliashberg equations
Replies: 1
Views: 35

Re: Solve anisotropic Eliashberg equations

Hi dhw, It looks like you do not have enough Matsubara points in the Pade continuation. I am not sure which version of the code you are using, if it is the latest version, we have introduced a new input variable 'npade', see below; https://gitlab.com/QEF/q-e/-/blob/develop/EPW/src/epw_readin.f90#L26...
by hpaudya1
Sun Oct 10, 2021 6:14 pm
Forum: Running the code
Topic: task # 0 from kernel_aniso_iaxis : error # 1 Error allocating akeri
Replies: 1
Views: 59

Re: task # 0 from kernel_aniso_iaxis : error # 1 Error allocating akeri

Hi Zegnet,

This type of errors occur usually because of not enough memory per core. It would be great if you could give more about your input, output, and run (how many cores?) files.

Happy EPWing,
Hari
by hpaudya1
Thu Oct 07, 2021 4:42 pm
Forum: Running the code
Topic: Restarting Eliashberg calculations for further temperatures
Replies: 4
Views: 185

Re: Restarting Eliashberg calculations for further temperatures

Hi Roman, I have one more question, out of curiosity: I noticed that the epwwrite quantities (epwdata.fmt and XX.epmatwpX) are actually not rewritten in that setting and the EPW std-output claims regular mode instead of "RESTART", so I wonder which other flag(s) determine this behaviour? Or is it re...
by hpaudya1
Wed Oct 06, 2021 9:47 pm
Forum: Running the code
Topic: Anomalously large electron-phonon coupling
Replies: 1
Views: 53

Re: Anomalously large electron-phonon coupling

Hi Chill, I can only guess, this may be because your 'dvscf*' files are not correctly written. Could you check their sizes? Are all the same? Did you have to restart your phonon or you did in a single run? I am asking this because I had the same issue long back when I restarted my phonon for a q-poi...
by hpaudya1
Tue Sep 28, 2021 1:52 am
Forum: General discussion
Topic: isotropic vs anisotropic superconducting gaps
Replies: 7
Views: 286

Re: isotropic vs anisotropic superconducting gaps

Hi Ilias,

Yes you are right, it should be " wannierize = .false.", which I just corrected it.

Do you have "B3S.ephmat" directory where you can see ephmatXX (pool index), ikmap, egnv, freq files?

It would be nice if you could share your full output file.

Happy EPWing,
Hari
by hpaudya1
Tue Sep 28, 2021 1:38 am
Forum: Running the code
Topic: Error in anisotropic calculation
Replies: 11
Views: 264

Re: Error in anisotropic calculation

Hi Mehmet,

This looks like a memory issue to me. Did you notice;

"Size of allocated memory per pool: ~= 1.8548 Gb"

This is even before reading *.ephmat files. I recommend using larger memory nodes if available or try running in more cores.

HappyEPWing,
Hari Paudyal
by hpaudya1
Thu Sep 23, 2021 3:34 pm
Forum: General discussion
Topic: isotropic vs anisotropic superconducting gaps
Replies: 7
Views: 286

Re: isotropic vs anisotropic superconducting gaps

Hi Ilias, To solve the iso/aniso Eliashberg equations, first you need to calculate el-ph matrix elements in a fine mesh (ephwrite = .true.), which will be saved in a directory named 'prefix.ephmat'. After this, the code starts solving iso/aniso equations at the given temp based on your input flags. ...
by hpaudya1
Tue Sep 21, 2021 2:48 pm
Forum: General discussion
Topic: Which band and K-points contribute more for lambda
Replies: 5
Views: 294

Re: Which band and K-points contribute more for lambda

Hi Zegnet, I can only guess what might have happened. Code is calculating a2f and lambda after reading freq, egnv, ikmap, and ephmat files. This might take minutes to hours depending on your input setting and nr. of cores used. I see you have fsthick = 2 eV, do you have any reason to take this large...
by hpaudya1
Tue Sep 21, 2021 2:37 pm
Forum: General discussion
Topic: isotropic vs anisotropic superconducting gaps
Replies: 7
Views: 286

Re: isotropic vs anisotropic superconducting gaps

Hi Ilias, First see the distribution of the electron-phonon coupling strength λ_k, saved in "prefix.lambda_k_pairs" file (For eg. in MgB_2, see https://journals.aps.org/prb/pdf/10.1103/PhysRevB.87.024505 Fig. 5b). If you see an anisotropy in λ, most likely you will have anisotropy in \Delta too. Sim...
by hpaudya1
Thu Sep 16, 2021 5:40 pm
Forum: General discussion
Topic: Which band and K-points contribute more for lambda
Replies: 5
Views: 294

Re: Which band and K-points contribute more for lambda

Hi Zegnet,

Could you please share your input/output files so that I can give you the best answer?

Best,
Hari Paudyal