Search found 9 matches

by Nacy Cui
Thu Jun 16, 2022 10:15 am
Forum: General discussion
Topic: Hole mobility and hole scattering rate
Replies: 0
Views: 193

Hole mobility and hole scattering rate

Dear developers, I don't konw how to determine the "parameter of ncarrier" when calculating the hole carrier mobility in epw.in file, the default value is set as -1E13, the value applicable to all materials? or it be determined according to the specific material. For example, if a structure have 3 a...
by Nacy Cui
Thu May 26, 2022 11:40 am
Forum: Electron-phonon
Topic: How to calculate the electron-phonon scattering rate of a semiconductor?
Replies: 0
Views: 403

How to calculate the electron-phonon scattering rate of a semiconductor?

Dear all, Recently, I read some papers about calculating the lattice thermal conductivity of semiconductor materials, most of them both considering phonon-phonon and electron-phonon scattering (such as, J. Phys. Chem. C 2019, 123, 12001−12006), which greatly reduce the lattice thermal conductivity. ...
by Nacy Cui
Tue Mar 08, 2022 2:33 pm
Forum: Running the code
Topic: Error in routine elphel2_shuffle (1) when calculated epw1.in of Pb
Replies: 2
Views: 765

Re: Error in routine elphel2_shuffle (1) when calculated epw1.in of Pb

I can run successfully according to the method you said. Thanks!
by Nacy Cui
Sat Mar 05, 2022 5:57 am
Forum: Running the code
Topic: Error in routine elphel2_shuffle (1) when calculated epw1.in of Pb
Replies: 2
Views: 765

Error in routine elphel2_shuffle (1) when calculated epw1.in of Pb

Dear developers and users, I'm trying to calculate the epw1.in of Pb according to the EPW manual, but an error was reported in the epw1.out file. And I couldn't find any mistake in the calculation, the files I used in the following attachments. I would appreciate it if someone could give me some sug...
by Nacy Cui
Mon Feb 28, 2022 2:08 am
Forum: Running the code
Topic: Output stop update after wannier90
Replies: 8
Views: 1971

Re: Output stop update after wannier90

Dear Hari Paudyal,
The attached are my inputs and outputs files in the epw folder.
Best regards,
Xiangyue
by Nacy Cui
Fri Feb 25, 2022 9:22 am
Forum: Running the code
Topic: Output stop update after wannier90
Replies: 8
Views: 1971

Re: Output stop update after wannier90

Dear zhenqing,
I encountered the same problem as you, but I didn't use the parameter- nosym in the process. And I also tried to change 'nscf' to 'bands' in non-self consistent computing, but the same problem still occurs. Do you have any good ways to share?
Best regards,
Xiangyue
by Nacy Cui
Thu Dec 16, 2021 5:03 am
Forum: General discussion
Topic: Input file parameter settings
Replies: 4
Views: 1734

Re: Input file parameter settings

Thank you for your advice
by Nacy Cui
Wed Dec 15, 2021 6:20 am
Forum: General discussion
Topic: Input file parameter settings
Replies: 4
Views: 1734

Re: Input file parameter settings

Hi Hari, I'm glad to receive your reply and I have look up the descriptions of input parameters on the EPW website, for example, the description of nbndsub is number of wannier functions to utilize and default value equal to 0. But there is no example in School part in https://docs.epw-code.org/doc/...
by Nacy Cui
Tue Dec 14, 2021 4:08 am
Forum: General discussion
Topic: Input file parameter settings
Replies: 4
Views: 1734

Input file parameter settings

Dear EPW developer and user,
Hello, I'm a beginner of EPW software and I want to find out how to determines these parameter values, for example nbndsub, bands_ skipped and dis_ froz_min/max and parameters in the attached picture? I'm looking forward to your reply.
Best wishes,
Nacy Cui