EPW Forum

Dear Prasad: Added after the first post: I found the similar issue in the old posts: Please check the posts at viewtopic.php?f=6&t=763&p=2424&hilit=readwfc#p2424 or viewtopic.php?f=6&t=752&p=2370&hilit=readwfc#p2370 . As you can see from the messages above, it seems that there is an issue with some ...

Dear Miao Gao:

Please check this previous post at viewtopic.php?f=6&t=1310 .
If your issue doesn't belong to the one above, please provide EPW input and output.

Sincerely,

H. Lee

Dear Prasad: I still don't know what happens in your calculations; it looks to me that there is nothing problematic and it is strange to me that the error occurs at the different steps depending on the number of cores used. I can't give you the clear answer, but I would just suggest you to run the t...

Dear Neelesh Gupta: To the best of my knowledge, EPW can't calculate the effective mass directly. Regarding how to calculate the effective mass: There are a few methods (for instance, finite difference method) and I think that there are some tools for this purpose (I don't know much about them and h...

Dear Prasad: It looks to me that your inputs don't have something problematic. I would just ask you the following two things: (1) In your first post, the error occurred after iq = 1, but in your last post, it occurred after iq = 4. Does the error of readwfc occur at the different steps depending on ...

Dear Prasad:

I would like to look at your all inputs (scf.in, ph.in, nscf.in, and epw.in) and epw.out.
I assume that you are using the same number of cores as the number of pools in your EPW runs.

Sincerely,

H. Lee

Dear Prasad:

Are there *.wfc* files in your working directory?

Sincerely,

H. Lee

Dear Qing Lu: I don't know which version of EPW you are using. I would suggest you the followings: (1) Check the value of max_memlt in epw_readin.f90: If your cluster has larger memory than the default value of max_memlt, you can change it in the epw inputs. (2) If your cluster doesn't have large me...

Dear adenchfi: I don't know about the recent version of VASP; in other words, I don't know how the DFPT is implemented in the recent version of VASP. Therefore, I would suggest you to contact the VASP developers. I would just emphasize again that the main inputs to EPW to investigate the electron ph...

Dear Amir T: As the error message says, in your case, the number of states in the frozen window is larger than that of target Wannier functions (WFs), leading to the error in the disentanglement step. Therefore, in order to solve this problem, you need to change the value of dis_froz_max so that the...