Search found 190 matches

by hpaudya1
Wed Jan 18, 2023 3:31 pm
Forum: Running the code
Topic: Error in Isotropic Eliashberg equation
Replies: 6
Views: 3272

Re: Error in Isotropic Eliashberg equation

Hi Sahil, I see the following temp( 1) = 0.20000 K Solve isotropic Eliashberg equations on imaginary-axis Total number of frequency points nsiw( 1) = 9235 Cutoff frequency wscut = 1.0001 With nsiw(1) = 9235, N = npade * nsiw(1) / 100 (will make even by adding one if it is odd) = 8312 (with default v...
by hpaudya1
Tue Jan 17, 2023 6:42 pm
Forum: Running the code
Topic: Error in Isotropic Eliashberg equation
Replies: 6
Views: 3272

Re: Error in Isotropic Eliashberg equation

Hi Sahil,

Could you please share your 'prefix.a2f' file. I will investigate the problem myself and let you know the problem and possible solution.

Happy EPWing,
Hari
by hpaudya1
Wed Dec 14, 2022 2:34 pm
Forum: General discussion
Topic: how to set fsthick and.....
Replies: 3
Views: 3830

Re: how to set fsthick and.....

Hi Kunsa, By default, Quantum ESPRESSO prints phonon frequency in THz and cm-1 units. Look at them, and find what is the maximum (no need of exact value). For e.g. in MgB2, I get ~800 cm-1 maximum phonon frequency, which is ~0.099184 eV and choose wscut = 1 eV (which is close to 10 times max. ph fre...
by hpaudya1
Fri Dec 09, 2022 1:54 pm
Forum: Running the code
Topic: Error in Calculating kgmap
Replies: 2
Views: 2485

Re: Error in Calculating kgmap

Hi dsc,

Could you double check your phonon is calculated and the corresponding files are saved correctly in 'dvscf_dir = './save'' directory?

Happy EPWing,
Hari
by hpaudya1
Mon Dec 05, 2022 3:49 pm
Forum: Running the code
Topic: Error with epwread = .true., "Restart is done without reading PWSCF save file."
Replies: 2
Views: 2081

Re: Error with epwread = .true., "Restart is done without reading PWSCF save file."

Hi Prachi,

This is just a message in a restart calculation from https://gitlab.com/QEF/q-e/-/blob/devel ... pw.f90#L92. If your first step is done correctly, and corresponding files are written with no issue, no do not need to worry with this message.

Happy EPWing,
Hari
by hpaudya1
Tue Nov 08, 2022 3:37 pm
Forum: Running the code
Topic: What's wrong with inconsistent data (names)
Replies: 1
Views: 1945

Re: What's wrong with inconsistent data (names)

Hi Shi,

It looks like your phonon scf.in and EPW scf.in/nscf.in are not consistent. Please check, number of atoms, types, order of the atoms, etc.

The error appeared from the following line; https://gitlab.com/QEF/q-e/-/blob/devel ... r.f90#L361

Happy EPWing,
Hari
by hpaudya1
Tue Nov 08, 2022 3:30 pm
Forum: Running the code
Topic: Superconductivity, lammbda
Replies: 1
Views: 1903

Re: Superconductivity, lammbda

Hi Zhou,

Can you share your plots comparing the spectral functions and lambdas for different convergence tests?

Happy EPWing,
Hari
by hpaudya1
Tue Nov 08, 2022 3:27 pm
Forum: Running the code
Topic: About the "on the fly" mode
Replies: 1
Views: 1035

Re: About the "on the fly" mode

Hi R. Lv, On the fly mode meaning we calculate anisotropic lambda (eqn. 18 of https://journals.aps.org/prb/pdf/10.1103/PhysRevB.87.024505) for every k, q, bands, and frequencies (do not save in the memory) when it is required. In your case, I recommend using "max_memlt = 8" flag in your input file, ...
by hpaudya1
Fri Oct 14, 2022 2:00 pm
Forum: General discussion
Topic: EPW calculations freeze without stop and errors
Replies: 5
Views: 4318

Re: EPW calculations freeze without stop and errors

Hi pfliu89,

Is your .dvscf and .dyn files saved correctly? I did not see "Calculation of q = 0.00000000 0.00000000 0.0000000" in your log.ph file, are you aware of it?

Happy EPWing,
Hari
by hpaudya1
Fri Oct 14, 2022 1:51 pm
Forum: General discussion
Topic: anisotropic ME equation and isotropic equation
Replies: 4
Views: 3420

Re: anisotropic ME equation and isotropic equation

Hi Shi,

I would recommend you to read this paper; https://journals.aps.org/prb/pdf/10.110 ... .87.024505

You can see two examples, Pb (isotropic) and MgB2 (anisotropic).

Happy EPWing,
Hari