EPW Forum

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

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...

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

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...

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...

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

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....

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 ...

Dear Miao Gao:

Could you provide your epw.in and the full output of epw.out?

Sincerely,

H. Lee

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(...