Search found 190 matches
- Wed Jan 18, 2023 3:31 pm
- Forum: Running the code
- Topic: Error in Isotropic Eliashberg equation
- Replies: 6
- Views: 4032
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...
- Tue Jan 17, 2023 6:42 pm
- Forum: Running the code
- Topic: Error in Isotropic Eliashberg equation
- Replies: 6
- Views: 4032
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
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
- Wed Dec 14, 2022 2:34 pm
- Forum: General discussion
- Topic: how to set fsthick and.....
- Replies: 3
- Views: 4108
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...
- Fri Dec 09, 2022 1:54 pm
- Forum: Running the code
- Topic: Error in Calculating kgmap
- Replies: 2
- Views: 2709
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
Could you double check your phonon is calculated and the corresponding files are saved correctly in 'dvscf_dir = './save'' directory?
Happy EPWing,
Hari
- 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: 2289
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
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
- Tue Nov 08, 2022 3:37 pm
- Forum: Running the code
- Topic: What's wrong with inconsistent data (names)
- Replies: 1
- Views: 2132
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
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
- Tue Nov 08, 2022 3:30 pm
- Forum: Running the code
- Topic: Superconductivity, lammbda
- Replies: 1
- Views: 2053
Re: Superconductivity, lammbda
Hi Zhou,
Can you share your plots comparing the spectral functions and lambdas for different convergence tests?
Happy EPWing,
Hari
Can you share your plots comparing the spectral functions and lambdas for different convergence tests?
Happy EPWing,
Hari
- Tue Nov 08, 2022 3:27 pm
- Forum: Running the code
- Topic: About the "on the fly" mode
- Replies: 1
- Views: 1205
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, ...
- Fri Oct 14, 2022 2:00 pm
- Forum: General discussion
- Topic: EPW calculations freeze without stop and errors
- Replies: 5
- Views: 4673
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
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
- Fri Oct 14, 2022 1:51 pm
- Forum: General discussion
- Topic: anisotropic ME equation and isotropic equation
- Replies: 4
- Views: 3719
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
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