Hi,
Please use "mp_mesh_k = .false.", it will work.
Best,
Hari Paudyal
SUNY, Binghamton
Search found 191 matches
- Tue Nov 05, 2019 8:03 pm
- Forum: General discussion
- Topic: superconducting gap of a material 2D
- Replies: 4
- Views: 3655
- Mon Oct 28, 2019 10:23 pm
- Forum: Running the code
- Topic: filkf and filqf
- Replies: 1
- Views: 2975
Re: filkf and filqf
Hi Osama, This can be done through pw.x (for a scf calculation) with the following modifications in the input (test.in). (1) verbosity = 'high' (2) K_POINTS crystal_b 3 0.5000 0.500 0.500 50 0.0000 0.000 0.000 50 0.0000 0.500 0.500 1 (3) run your test.in, pw.x <test.in after when the k-points are pr...
- Wed Sep 04, 2019 4:41 pm
- Forum: Running the code
- Topic: Size Mismatch
- Replies: 8
- Views: 5938
Re: Size Mismatch
Hi osama jalil,
It would be easy to go through your problem if you provide more information about your system (like scf.in, nscf.in, and epw.out where it crashed).
Best,
Hari Paudyal
It would be easy to go through your problem if you provide more information about your system (like scf.in, nscf.in, and epw.out where it crashed).
Best,
Hari Paudyal
- Wed Sep 04, 2019 4:30 pm
- Forum: General discussion
- Topic: Plot of the gap distribution vs temperature.
- Replies: 3
- Views: 3350
Re: Plot of the gap distribution vs temperature.
Hi Mikhail,
I think this is well explained during the hands on session and tutorial of the EPW school, you can find the plot on second last page of
http://epw.org.uk/School2018/School2018 ... argine.pdf
Best,
Hari Paudyal
I think this is well explained during the hands on session and tutorial of the EPW school, you can find the plot on second last page of
http://epw.org.uk/School2018/School2018 ... argine.pdf
Best,
Hari Paudyal
- Mon Apr 08, 2019 7:50 pm
- Forum: Running the code
- Topic: Wannierization error in superconducting calculations
- Replies: 1
- Views: 4146
Re: Wannierization error in superconducting calculations
Hi mahdi109, In your epw input, you have defined(including) 12 bands (wannier functions) with no excluding, as the following; nbndsub = 12, nbndskip = 0 from the projection you have defined as, proj(1) = 'B:sp3' OR proj(1) = 'B:s;p' (both looks same for me) within the window defined as, dis_froz_min...
- Fri Mar 22, 2019 7:41 pm
- Forum: General discussion
- Topic: Quantum ESPRESSO 6.4 and EPW 5.1
- Replies: 10
- Views: 54612
Re: Quantum ESPRESSO 6.4 and EPW 5.1
Hi, This looks like a problem in running the code. Your input file is not correct for the new version of the code. If you have used the same input (which runs fine) from the old version, you may have a input flag that exists in the old version and which may not exist in the new version. For example,...
- Mon Mar 18, 2019 9:26 pm
- Forum: General discussion
- Topic: electron-phonon coupling for 2D materials
- Replies: 16
- Views: 12448
Re: electron-phonon coupling for 2D materials
Hi, I think, the latest version is v.5.1.0. S. Ponce, E. R. Margine, C. Verdi, and F. Giustino, Comput. Phys. Commun. 209, 116 (2016) Program EPW v.5.1.0 starts on 18Mar2019 at 17:23: 5 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite &q...
- Mon Mar 18, 2019 9:07 pm
- Forum: Compilation
- Topic: unreasonable electron phonon coupling
- Replies: 1
- Views: 24711
Re: unreasonable electron phonon coupling
Hi,
It would be easy to go through your problem if you provide inputs/outputs of your system? Also, please include which version of the code and what parameters (for eg. k/q meshes) are you using. Someone will definitely help you after.
Best,
Hari Paudyal
SUNY-Binghamton
It would be easy to go through your problem if you provide inputs/outputs of your system? Also, please include which version of the code and what parameters (for eg. k/q meshes) are you using. Someone will definitely help you after.
Best,
Hari Paudyal
SUNY-Binghamton
- Wed Jan 16, 2019 9:35 pm
- Forum: Running the code
- Topic: weird crashes when reading dyn file
- Replies: 3
- Views: 4037
Re: weird crashes when reading dyn file
Great to know that your problem is resolved !! you are welcome.
Best,
Hari Paudyal
Best,
Hari Paudyal
- Sun Jan 13, 2019 6:25 pm
- Forum: General discussion
- Topic: electron-phonon coupling for 2D materials
- Replies: 16
- Views: 12448
Re: electron-phonon coupling for 2D materials
Hi, I have done some tests for a 2D material to calculate lambda using EPW v5.0 (QE-6.3). I also got unreasonable large value of lambda if I use "assume_isolated = '2D'" flag in QE-calculations. However, I got reasonable value of lambda without this flag. This time I can only guess for you...