Search found 12 matches

by qiaoqiao66
Thu Jun 03, 2021 1:29 pm
Forum: General discussion
Topic: Anomalous Decay of the matrix element and the Very large electron-phonon coupling
Replies: 9
Views: 16437

Re: Anomalous Decay of the matrix element and the Very large electron-phonon coupling

Dear H. Lee:

Thank you for your reply and suggestions.
I have checked the Wannierization, the Wannier Function centers and spreads are displayed below. The band structure from wannier interpolation match well with those of QE, which also is shown below.

Sincerely,
ZhiHong Yuan
by qiaoqiao66
Wed Jun 02, 2021 2:15 pm
Forum: General discussion
Topic: Anomalous Decay of the matrix element and the Very large electron-phonon coupling
Replies: 9
Views: 16437

Re: Anomalous Decay of the matrix element and the Very large electron-phonon coupling

Dear H. Lee, Thank you very much for your reminding. Then I will use it to do the calculation of 3D system. But in the calculation of 3D system, I have also encountered the Anomalous Decay of the matrix element, which have shown in the last email, what could be the cause of this phenomenon? Thank yo...
by qiaoqiao66
Wed Jun 02, 2021 7:50 am
Forum: General discussion
Topic: Anomalous Decay of the matrix element and the Very large electron-phonon coupling
Replies: 9
Views: 16437

Re: Anomalous Decay of the matrix element and the Very large electron-phonon coupling

Dear H. Lee,
Thank you very much for your reply and your suggestions. I have also calculated a 2D system before, and successfully obtained the electron-phonon coupling strength.
Recently, I meet the similar problem in a 3D system.

Sincerely,

ZhiHong Yuan
by qiaoqiao66
Tue Jun 01, 2021 2:38 pm
Forum: General discussion
Topic: Anomalous Decay of the matrix element and the Very large electron-phonon coupling
Replies: 9
Views: 16437

Re: Anomalous Decay of the matrix element and the Very large electron-phonon coupling

Dear Hari, Thank you very much for your reply and your suggestions. I have re-running a full phonon phonon calculation with different nq, then use new set of .dyn, dvscf, and patterns files re-running the epw calculation. But the problem in the above email still appears. Additionally, I also tried t...
by qiaoqiao66
Tue Jun 01, 2021 1:47 pm
Forum: General discussion
Topic: Anomalous Decay of the matrix element and the Very large electron-phonon coupling
Replies: 9
Views: 16437

Anomalous Decay of the matrix element and the Very large electron-phonon coupling

Deal all, I am currently trying to compute the electron-phonon coupling of some compounds. The test-suite under the root directory of Quantum ESPRESSO were tested successfully, and other compounds have also been calculated successfully. However, There have been some unusual problems in the recent ca...
by qiaoqiao66
Thu Nov 26, 2020 12:29 pm
Forum: General discussion
Topic: EPW's lambda is inconsistent with QE's result
Replies: 5
Views: 3806

Re: EPW's lambda is inconsistent with QE's result

Dear H. Lee, I'm sorry to bother you again. Thank you for your previous patient explanation. I'd like to ask you a few more questions. (1) According to the "School 2018-Hands-on Session (Wed.4)", to check how each quantity is decaying within the supercell corresponding to our initial k and q grids, ...
by qiaoqiao66
Wed Nov 25, 2020 1:00 am
Forum: General discussion
Topic: Quantum ESPRESSO 6.4 and EPW 5.1
Replies: 10
Views: 45119

Re: Quantum ESPRESSO 6.4 and EPW 5.1

Dear H. Lee, I'm very, very sorry. I will definitely post the questions on the corresponding boards in the future. I have installed the most recent version of EPW with QE, but I haven't passed the test-suite-epw. If it still can't be solved in the end, I will ask you for help again in the correspond...
by qiaoqiao66
Wed Nov 25, 2020 12:28 am
Forum: General discussion
Topic: EPW's lambda is inconsistent with QE's result
Replies: 5
Views: 3806

Re: EPW's lambda is inconsistent with QE's result

Dear H. Lee, Thanks a lot for your reply. After following your advice,I use the delta_approx = .true. in epw calculation, the results and input are listed following: (1) the degaussw (eV unit) in EPW and el_ph_sigma (Ryd unit) in the phonon code of QE, we've done the unit conversion in our calculati...
by qiaoqiao66
Mon Nov 23, 2020 8:32 am
Forum: General discussion
Topic: Quantum ESPRESSO 6.4 and EPW 5.1
Replies: 10
Views: 45119

Re: Quantum ESPRESSO 6.4 and EPW 5.1

Dear H. Lee, I am trying to use the EPW 5.1 or 5.2 with QE version 6.4 or 6.5. I've managed to compile QE with EPW successfully (There were no errors reported during the installation), but when I run the epw.x, the program stopped and the following error appear in epw.out. = BAD TERMINATION OF ONE O...
by qiaoqiao66
Mon Nov 23, 2020 8:24 am
Forum: General discussion
Topic: Quantum ESPRESSO 6.4 and EPW 5.1
Replies: 10
Views: 45119

Re: Quantum ESPRESSO 6.4 and EPW 5.1

Dear H. Lee, I am trying to use the EPW 5.1 or 5.2 with QE version 6.4 or 6.5. I've managed to compile QE with EPW successfully (There were no errors reported during the installation), but when I run the epw.x, the program stopped and the following error appear in epw.out. = BAD TERMINATION OF ONE O...