Dear Mikhail,
I have encountered the same problem as you. The negative gap energy exits in higher temperatures. Wannier functions are good. Is it feasible to increase the value of "wscut"? Can you tell me how to solve this problem?
Thank you!
Best,
mxh
Search found 7 matches
- Thu Jan 18, 2024 2:49 am
- Forum: Running the code
- Topic: Gap energy abruptly goes negative at high temperatures
- Replies: 12
- Views: 19732
- Tue Jan 16, 2024 2:13 am
- Forum: General discussion
- Topic: system_ 2D in EPW5.8
- Replies: 4
- Views: 9393
Re: system_ 2D in EPW5.8
Dear Sabya,
Thanks a lot!
Best regards,
mxh
Thanks a lot!
Best regards,
mxh
- Sun Jan 14, 2024 3:16 am
- Forum: General discussion
- Topic: system_ 2D in EPW5.8
- Replies: 4
- Views: 9393
system_ 2D in EPW5.8
Dear EPW developers and users,
In EPW 5.8, the system_ 2D flag becomes available, but system_ 2D =. true. is invalid. In the manual, regarding the system_2D description is shown in the picture. If we study materials like graphene and MoS2, How to set up system_ 2D?
sincerly,
mxh
In EPW 5.8, the system_ 2D flag becomes available, but system_ 2D =. true. is invalid. In the manual, regarding the system_2D description is shown in the picture. If we study materials like graphene and MoS2, How to set up system_ 2D?
sincerly,
mxh
- Wed Aug 16, 2023 2:20 am
- Forum: General discussion
- Topic: weights do not add up to nqc1*nqc2*nqc3
- Replies: 5
- Views: 42109
Re: weights do not add up to nqc1*nqc2*nqc3
Dear Dr. Lee, When encountering the error message "Error in routine wigner_seitzkq (1): weights do not add up to nc1nc2nc3," you mentioned adjusting the threshold of the "DO WHILE (ABS(dist(i) - mindist) < eps6 .AND. i < 125)" condition. Specifically, which parameter should be modified, and after ...
- Sun Jan 29, 2023 11:56 am
- Forum: General discussion
- Topic: Anomalous Decay of the matrix element and the Very large electron-phonon coupling
- Replies: 9
- Views: 20925
Re: Anomalous Decay of the matrix element and the Very large electron-phonon coupling
Hi qiaoqiao66, I also have a same issue. The electron-phonon coupling strength is very strange, about 1000. I adjusted "fsthick", wscut" and" muc", and the electro-acoustic coupling was reduced to 283. Obviously, this value is still very strange. Have you solved your problem? How do you solve it ...
- Sat Jan 28, 2023 12:42 pm
- Forum: General discussion
- Topic: electron-phonon coupling strength
- Replies: 1
- Views: 4919
Re: electron-phonon coupling strength
This is my input file. &inputepw prefix = 'prefix' outdir = './tmp' amass(1) = xxx amass(2) = xxx amass(3) = xxx dvscf_dir = '../phonon3/save' ep_coupling = .true. elph = .true. epwwrite = .true. epwread = .false. etf_mem = 1 wannierize = .true. nbndsub = 8 bands_skipped = 'exclude_bands = 1-4' num ...
- Thu Jan 26, 2023 8:55 am
- Forum: General discussion
- Topic: electron-phonon coupling strength
- Replies: 1
- Views: 4919
electron-phonon coupling strength
Dear Friends, I'm a newcomer to the EPW calculation, and I face an issue while doing EPW calculation. I use EPW and QE to calculate electron-phonon superconductivity of 2D materials. The electron-phonon coupling strength is very strange, about 1000. I adjusted "fsthick", wscut" and" muc" according t ...