Search found 7 matches

by mxh
Thu Jan 18, 2024 2:49 am
Forum: Running the code
Topic: Gap energy abruptly goes negative at high temperatures
Replies: 12
Views: 7978

Re: Gap energy abruptly goes negative at high temperatures

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
by mxh
Tue Jan 16, 2024 2:13 am
Forum: General discussion
Topic: system_ 2D in EPW5.8
Replies: 4
Views: 1378

Re: system_ 2D in EPW5.8

Dear Sabya,

Thanks a lot!

Best regards,
mxh
by mxh
Sun Jan 14, 2024 3:16 am
Forum: General discussion
Topic: system_ 2D in EPW5.8
Replies: 4
Views: 1378

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
by mxh
Wed Aug 16, 2023 2:20 am
Forum: General discussion
Topic: weights do not add up to nqc1*nqc2*nqc3
Replies: 5
Views: 27174

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 ma...
by mxh
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: 16362

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? Th...
by mxh
Sat Jan 28, 2023 12:42 pm
Forum: General discussion
Topic: electron-phonon coupling strength
Replies: 1
Views: 2944

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_...
by mxh
Thu Jan 26, 2023 8:55 am
Forum: General discussion
Topic: electron-phonon coupling strength
Replies: 1
Views: 2944

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...