EPW Forum

Dear all, Hi, I'm a beginner of EPW package. I want to calculate the electron-phonon coupling under charge doping, but i didn't know how to control the concentration of doped electrons or holes in the epw.in file? In other words, is there any parameter similar to the "tot_charge" in the scf.in file ...

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 ...

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. ...

I can run successfully according to the method you said. Thanks!

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 ...

Dear Hari Paudyal,
The attached are my inputs and outputs files in the epw folder.
Best regards,
Xiangyue

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

Thank you for your advice

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 ...

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