Search found 19 matches
- Fri Dec 22, 2023 11:14 pm
- Forum: Running the code
- Topic: How to evaluate the memory needed for a computation?
- Replies: 3
- Views: 13699
Re: How to evaluate the memory needed for a computation?
Hi Jianguo, I suppose you are working on the anisotropic Eliashberg calculation. Please check the following points: (1) Did you use mp_mesh_k? If not, please use "mp_mesh_k = .true." (2) Which value of iverbosity did you set? You do not need to set "iverbosity = 2" to solve the ME equations, "iverbo...
- Thu Dec 07, 2023 9:14 pm
- Forum: General discussion
- Topic: Epw becomes silent after a2f calculation in the Eliashberg case
- Replies: 2
- Views: 14824
Re: Epw becomes silent after a2f calculation in the Eliashberg case
Dear Timon, I would like to know more about the files output from EPW in this job. Especially I want to know whether prefix.a2f was an empty file, and whether any newer files than prefix.a2f were output. Since you use iverbosity == 2, some optional files such as prefix.lambda_pairs and prefix.lambda...
- Tue Nov 14, 2023 8:45 pm
- Forum: General discussion
- Topic: Carrier concentration
- Replies: 1
- Views: 9637
Re: Carrier concentration
Hi Ilias, Unfortunately, ncarrier is ignored in superconductivity calculations. You can change the Fermi level manually by setting "efermi_read" and "fermi_energy" instead. However, even though you calculate a superconducting gap and see the dependence of Fermi level using them, you cannot output a ...
- Mon Oct 30, 2023 11:13 pm
- Forum: General discussion
- Topic: Electron-Phonon Matrix Elements EPW
- Replies: 5
- Views: 14049
Re: Electron-Phonon Matrix Elements EPW
Hi John,
Yes, you can change the format to human-readable one by changing "FORM = 'unformatted'" to "FORM = 'formatted'".
Note that the file size may become larger than that of the binary format.
Best,
Hitoshi
Yes, you can change the format to human-readable one by changing "FORM = 'unformatted'" to "FORM = 'formatted'".
Note that the file size may become larger than that of the binary format.
Best,
Hitoshi
- Mon Oct 02, 2023 6:13 pm
- Forum: General discussion
- Topic: Electron-Phonon Matrix Elements EPW
- Replies: 5
- Views: 14049
Re: Electron-Phonon Matrix Elements EPW
Hi Animesh,
We do not provide an option to change the file format, so you have to modify "write_ephmat()" in EPW/src/io_eliashberg.f90 to change the format yourself.
Best,
Hitoshi
We do not provide an option to change the file format, so you have to modify "write_ephmat()" in EPW/src/io_eliashberg.f90 to change the format yourself.
Best,
Hitoshi
- Wed Sep 13, 2023 6:44 pm
- Forum: General discussion
- Topic: Phonon linewidth does not change with temperature
- Replies: 2
- Views: 11130
Re: Phonon linewidth does not change with temperature
Dear Yi-Ming, EPW code calculates the electron and phonon linewidths by using the Eqs. (8)-(9) in the paper S. Ponce et al., Comput. Phys. Commun. 209, 116 (2016). As the equations show, the electron linewidth seems sensitive to temperature because it has the Bose distribution. The phonon linewidth ...
- Wed Aug 30, 2023 5:18 pm
- Forum: General discussion
- Topic: weights do not add up to nqc1*nqc2*nqc3
- Replies: 5
- Views: 32774
Re: weights do not add up to nqc1*nqc2*nqc3
Dear jqhuang, It is not easy to modify the source code and know in a single calculation a good threshold value. It may be time-consuming for you. As a quick fix, I recommend you to set use_ws = false to avoid using Wigner–Seitz cell. Note that use_ws = true often leads to better Wannier interpolatio...
- Tue Jun 27, 2023 6:06 pm
- Forum: General discussion
- Topic: How to obtain real part of phonon self-energy?
- Replies: 3
- Views: 18387
Re: How to obtain real part of phonon self-energy?
Hi, Several approximations exist for the delta function. From equations (1) and (2) (see the attached image), we use the fact that the imaginary part of 1/(x-iε) can be regarded as approximately Gaussian with infinitesimal ε and σ. Since both ε and σ are infinitesimals but different quantities, you ...
- Tue Jun 27, 2023 5:11 pm
- Forum: Running the code
- Topic: Negative value of superconducting gap
- Replies: 13
- Views: 35221
Re: Negative value of superconducting gap
Hi Shubham,
For your calculations using muc=0.0 and 0.01, what values did you use for parameters such as wscut? Did the "Max Superconducting gap" remain positive when the "Min Superconducting gap" was negative?
Best,
Hitoshi
For your calculations using muc=0.0 and 0.01, what values did you use for parameters such as wscut? Did the "Max Superconducting gap" remain positive when the "Min Superconducting gap" was negative?
Best,
Hitoshi