Search found 61 matches
- Thu Jul 17, 2025 6:27 pm
- Forum: General discussion
- Topic: For epw5.9, how to obtain mode-resolved mobility
- Replies: 4
- Views: 6377
Re: For epw5.9, how to obtain mode-resolved mobility
Hi Donglin, Attached is a patch that should be useful for choosing specific modes for transport. This patch introduces an input parameter "mode_res_tr" using which you can choose which mode you want to eliminate. E.g., For removing first three modes, mode_res_tr = 1,2,3 See the attached epw2.in file ...
- Wed Jul 16, 2025 3:54 pm
- Forum: General discussion
- Topic: For epw5.9, how to obtain mode-resolved mobility
- Replies: 4
- Views: 6377
Re: For epw5.9, how to obtain mode-resolved mobility
Dear Donglin, There isn't much meaning associated with a mode-resolved mobility since it is not a physical observable. To analyze the effect of different modes on carrier transport, mode resolved scattering rates should be enough. However, if you still want to obtain that then an easier ...
- Mon Jul 14, 2025 9:18 pm
- Forum: Running the code
- Topic: Converged Phonon Frequency
- Replies: 1
- Views: 1423
Re: Converged Phonon Frequency
Dear Patrick, The difference does not seem that great to me if you compare (about 0.06 meV). However, I agree that the symmetry should be preserved. It is difficult to debug with the information you have provided. Can you attach all your input files, including the BZ-path you have used to obtain the ...
- Wed Jun 04, 2025 5:37 pm
- Forum: General discussion
- Topic: EPW fail to calculate the electron-phonon matrix elements in the Wannier representation
- Replies: 2
- Views: 9107
Re: EPW fail to calculate the electron-phonon matrix elements in the Wannier representation
Hi Jack, The step where the error has occurred means something is wrong with the phonon (ph.x) related calculations. Check the files inside the "save" folder which you must have generated using pp.py. If the error persists then post the .out and .in files which will help us debug. Best regards ...
- Sun May 25, 2025 10:05 pm
- Forum: General discussion
- Topic: Abnormal Phonon Spectrum in EPW Including Quadrupole Polarization
- Replies: 7
- Views: 52746
Re: Abnormal Phonon Spectrum in EPW Including Quadrupole Polarization
Hi,
Can you kindly provide more information (including all input and output (.out) files) to debug the issue you are facing.
Best regards,
Sabya.
Can you kindly provide more information (including all input and output (.out) files) to debug the issue you are facing.
Best regards,
Sabya.
- Sat May 17, 2025 12:11 am
- Forum: General discussion
- Topic: Inquiry About EPW Support for Spin-Polarized Calculations (nspin=2)
- Replies: 1
- Views: 13401
Re: Inquiry About EPW Support for Spin-Polarized Calculations (nspin=2)
Hello Taifeng, It is true that EPW currently does not support spin-polarized calculations. There are ongoing efforts in that direction and hopefully in the later half of this year we might have support for spin-polarized calculations inside EPW. However, you can include the spin-polarized bands (not ...
- Mon Mar 24, 2025 10:31 pm
- Forum: Running the code
- Topic: cannot reproduce the example of SiC
- Replies: 3
- Views: 23616
Re: cannot reproduce the example of SiC
Hi Xiang xing, What I can see from the output is that the Fermi-level, Temperature, and the Fermi surface thickness are different in all three calculations. file 1: Fermi Surface thickness = 2.802849 eV Golden Rule strictly enforced with T = 0.017235 eV Gaussian Broadening: 0.100000 eV, ngauss= 1 ...
- Sat Mar 01, 2025 11:20 pm
- Forum: Running the code
- Topic: The program cannot run when epw reproduces the phonon spectrum
- Replies: 8
- Views: 118507
Re: The program cannot run when epw reproduces the phonon spectrum
Hi Fale li,
Your path2.dat file which you have attached has no points and is empty. That results in divide by 0 error since nktotf is 0. Please provide a correct path2.dat file.
Best regards,
Sabya.
Your path2.dat file which you have attached has no points and is empty. That results in divide by 0 error since nktotf is 0. Please provide a correct path2.dat file.
Best regards,
Sabya.
- Sat Feb 01, 2025 10:18 pm
- Forum: General discussion
- Topic: Discrepancy between input and output Electronic Density
- Replies: 5
- Views: 70494
Re: Discrepancy between input and output Electronic Density
Hi Giuseppe, The Fermi-level is found by using a bisection method (iterative) since its a root-finding problem. However, there is an upper-bound to the number of iterations. That means, once the max number of iterations is reached and the relative error (which is 1e-5) between previous and current ...
- Sat Feb 01, 2025 9:58 pm
- Forum: General discussion
- Topic: How to solve the problem "Error in routine prtmob (1): The carrier density is 0"
- Replies: 1
- Views: 16784
Re: How to solve the problem "Error in routine prtmob (1): The carrier density is 0"
Hi,
You need to delete the restart files (restart.fmt, F*) present in your directory when you change the fine-grid of your calculation.
Best regards,
Sabya.
You need to delete the restart files (restart.fmt, F*) present in your directory when you change the fine-grid of your calculation.
Best regards,
Sabya.