Dear Mehmet Dogan:
You can also try lifc=.true. with the IFC file. Please check the following post at viewtopic.php?p=3403#p3403 .
Sincerely,
H. Lee
Search found 415 matches
- Tue Oct 20, 2020 4:44 pm
- Forum: Running the code
- Topic: Phonon interpolation problem with EPW
- Replies: 17
- Views: 8272
- Tue Oct 20, 2020 4:13 pm
- Forum: Running the code
- Topic: Phonon interpolation problem with EPW
- Replies: 17
- Views: 8272
Re: Phonon interpolation problem with EPW
Dear Mehmet Dogan: First, I would suggest you to use the recent official version of EPW v5.3 (https://gitlab.com/QEF/q-e/-/releases) or the recent development version of EPW (https://gitlab.com/QEF/q-e); I have no experience with EPW v5.1 you are using. There are several changes in EPW v5.3 (See the...
- Sun Sep 20, 2020 3:05 pm
- Forum: Running the code
- Topic: Error: corrupted size vs. prev_size
- Replies: 5
- Views: 3961
Re: Error: corrupted size vs. prev_size
Dear Hao Zhang:
Polaron module is not publicly available; it is not included in the EPW v5.3 and will be included in the future.
Sincerely,
H. Lee
Polaron module is not publicly available; it is not included in the EPW v5.3 and will be included in the future.
Sincerely,
H. Lee
- Sat Sep 19, 2020 3:14 pm
- Forum: Running the code
- Topic: Error: corrupted size vs. prev_size
- Replies: 5
- Views: 3961
Re: Error: corrupted size vs. prev_size
Dear Hao Zhang: It seems that you are using EPW v5.3 included in QE v6.6. As you can see in the Releases page at https://docs.epw-code.org/doc/Releases.html , starting from EPW v5.3, you should not use "nosym=.true." in nscf.in . If your nscf calculation doesn't generate more k points than you provi...
- Fri Sep 18, 2020 2:38 pm
- Forum: Running the code
- Topic: Error: corrupted size vs. prev_size
- Replies: 5
- Views: 3961
Re: Error: corrupted size vs. prev_size
Dear Hao Zhang: Reading interatomic force constants Read Z* and epsilon IFC last -0.0000455 Norm of the difference between old and new effective charges: 0.0000000 Norm of the difference between old and new force-constants: 0.0002234 Imposed crystal ASR Finished reading ifcs Is the above message the...
- Thu Sep 17, 2020 2:51 pm
- Forum: Running the code
- Topic: error opening wfc file
- Replies: 12
- Views: 6842
Re: error opening wfc file
Dear Prasad:
Before solving the current issue,
if you still encounter the failures in test-suite, you first should resolve them.
The success in test-suite is a minimal prerequisite for the production run.
Sincerely,
H. Lee
Before solving the current issue,
if you still encounter the failures in test-suite, you first should resolve them.
The success in test-suite is a minimal prerequisite for the production run.
Sincerely,
H. Lee
- Tue Sep 15, 2020 5:35 am
- Forum: Running the code
- Topic: Different strengths of electron-phonon coupling.
- Replies: 6
- Views: 4246
Re: Different strengths of electron-phonon coupling.
Dear Miao Gao: Personally, I don't like mp_mesk_k=.true. since in general we have issues with the use of symmetry after the interpolation step. So I prefer to the results with the full grid. However, I strongly believe that you should make a decision yourself since it is your research. Sincerely, H....
- Tue Sep 15, 2020 4:56 am
- Forum: Running the code
- Topic: Different strengths of electron-phonon coupling.
- Replies: 6
- Views: 4246
Re: Different strengths of electron-phonon coupling.
Dear Miao Gao: I agree with you in that the difference you obtained is due to the use of reduced grid (mp_mesh_k=.true.). As you know, since you use the delta approximation (delta_approx = .true.) in your electron-phonon coupling calculation, lambda which is calculated from lambda_all calculated in ...
- Mon Sep 14, 2020 4:56 pm
- Forum: Running the code
- Topic: Different strengths of electron-phonon coupling.
- Replies: 6
- Views: 4246
Re: Different strengths of electron-phonon coupling.
Dear Miao Gao:
Could you provide your epw.in and the full output of epw.out?
Sincerely,
H. Lee
Could you provide your epw.in and the full output of epw.out?
Sincerely,
H. Lee
- Mon Sep 14, 2020 1:54 pm
- Forum: General discussion
- Topic: Memory Error in EPW Software
- Replies: 3
- Views: 3099
Re: Memory Error in EPW Software
Dear Qing Lu: In some cases, the use of dis_win_min in EPW can cause the issue with non-constant number of electrons. In order to avoid this issue, when users input dis_win_min, EPW v5.3 automatically changes this value so as to ignore it. You can see the message in the EPW output as follows: WRITE(...