Search found 7 matches

by yeyaokun
Tue Sep 14, 2021 8:16 am
Forum: Running the code
Topic: why there are so many zero in epw.out ?
Replies: 4
Views: 3685

Re: why there are so many zero in epw.out ?

I've figured out this problem. Thanks for all the help.
by yeyaokun
Tue Aug 31, 2021 12:33 am
Forum: Compilation
Topic: Change printing.f90 code
Replies: 1
Views: 21816

Change printing.f90 code

Dear all, I'd like to change the printing.f90 file to see more information of output of 'prtgkk' (namely, |g| in epw.out) For example , I'd like to change epc(pbnd, jbnd, nu, ik + lower_bnd - 1) to epc(pbnd, jbnd, nu, ik + lower_bnd - 3), something like this, to see more output of prtgkk. However, a...
by yeyaokun
Tue Aug 24, 2021 12:24 am
Forum: Running the code
Topic: why there are so many zero in epw.out ?
Replies: 4
Views: 3685

Re: why there are so many zero in epw.out ?

Dear Yaokun Ye: First, it might not be directly related to your issue, but there was a bug in the subroutine for prtgkk of the old versions of EPW which I fixed it. So unless you did, I would suggest you to use the recent versions of EPW such as v5.4. Returning to your main question: It can be a bu...
by yeyaokun
Thu Aug 12, 2021 1:40 am
Forum: Running the code
Topic: why there are so many zero in epw.out ?
Replies: 4
Views: 3685

Re: why there are so many zero in epw.out ?

Dear Lee,
Thanks for your kindly reply. I'll try your suggest.
Best wishes.

Yaokun
by yeyaokun
Wed Aug 11, 2021 7:37 am
Forum: Running the code
Topic: why there are so many zero in epw.out ?
Replies: 4
Views: 3685

why there are so many zero in epw.out ?

Dear developers and users, Hi, I'm using EPW for a while and I think it's really a good code. Thanks for all the contribution. While I'm using it, I feel a little confused by some output. I hope I can get some advice from you guys. Here's the problem. I want to know the exact number of the electron ...
by yeyaokun
Tue Mar 30, 2021 10:15 am
Forum: Running the code
Topic: Questions on phonon degeneracy?
Replies: 3
Views: 2430

Re: Questions on phonon degeneracy?

Dear Dr Samuel Poncé,

Thanks a lot for your kindly reply. I'll try your advice and check more things by myself first.

Best wishes.

Yaokun Ye
by yeyaokun
Tue Mar 30, 2021 2:56 am
Forum: Running the code
Topic: Questions on phonon degeneracy?
Replies: 3
Views: 2430

Questions on phonon degeneracy?

Dear EPW Developers and Users, Hi. I have some questions on phonon degeneracy and the EPW output results. Here's my situation. I calculated an AlAs system with 2 atoms in its unit cell. I followed the process EPW provided to run the code, namely scf, nonscf, phonon and epw. And each step ended succe...