Search found 7 matches

by jgsi
Sun Jul 05, 2020 11:23 am
Forum: Running the code
Topic: After a sucessful runing with iverbosity=2, some files were not output?
Replies: 6
Views: 5115

Re: After a sucessful runing with iverbosity=2, some files were not output?

Dear Lee, Thanks for your response, I tested my job using EPW.5.2, and I found that the log file is end with following lines. We can see that sevel values are equal to 'NaN', that may cause the Pade related results not output. I will check the resoure code to find the related reasons. If you have an...
by jgsi
Wed Jul 01, 2020 9:01 am
Forum: Running the code
Topic: After a sucessful runing with iverbosity=2, some files were not output?
Replies: 6
Views: 5115

Re: After a sucessful runing with iverbosity=2, some files were not output?

Dear Lee, Thank you for your attention.The version i used is EPW v.5.1.0. the related part in input and output file as follows. I really can't find the problem,I hope you can give me a hand. The input file: ep_coupling = .true. elph = .true. kmaps = .false. epbwrite = .true. epbread = .false. epwwri...
by jgsi
Tue Jun 30, 2020 1:53 am
Forum: General discussion
Topic: Why the Fermi surface Nesting has a maximum at Gamma point?
Replies: 1
Views: 1883

Re: Why the Fermi surface Nesting has a maximum at Gamma point?

"The imaginary part of the electron susceptibility always shows the maximum around the zero point, which is due to intraband contributions from a weakly dispersing band and is irrelevant for the nesting."
Ref:Phys. Rev. B 101, 235405 (2020) & Phys. Rev. B 74, 155114 (2006).
by jgsi
Tue Jun 30, 2020 1:47 am
Forum: Electron-phonon
Topic: Calculation of the intensity of EPC is too big
Replies: 1
Views: 26051

Re: Calculation of the intensity of EPC is too big

I changed the pseudopotentials files from US to NC, the results become acceptable.
by jgsi
Tue Jun 30, 2020 1:43 am
Forum: Running the code
Topic: After a sucessful runing with iverbosity=2, some files were not output?
Replies: 6
Views: 5115

After a sucessful runing with iverbosity=2, some files were not output?

Dear all, I am using EPW for some calculations about the superconductivity of two-dimensional materials. I encountered some problems, and checked the input and repeated the sample of MgB2, but the problems is still not solved.I want to calculate the superconducting gap along the imaginary-axis and r...
by jgsi
Fri May 22, 2020 1:37 am
Forum: Electron-phonon
Topic: Calculation of the intensity of EPC is too big
Replies: 1
Views: 26051

Calculation of the intensity of EPC is too big

Dear all, I repeated the calculations of MgB2, and get almost effective results. But unfortunately, I get a uncommon value of lambda (~180) when I start my research. I checked my jobs and the result of wannier interpolation (both band and phonon dispersion curves), which shows the same dispersion co...
by jgsi
Thu May 14, 2020 10:02 am
Forum: General discussion
Topic: Why the Fermi surface Nesting has a maximum at Gamma point?
Replies: 1
Views: 1883

Why the Fermi surface Nesting has a maximum at Gamma point?

Dear all, Recently, I am studying some CDW-related materials. When calculated the FS nesting related properties, I found that the nesting functions always has a larger value at Gamma points. As far as I know, the nesting function is always calculated through the imaginary part of electron susceptibi...