Search found 7 matches

by jhosamelly
Tue Jun 21, 2022 4:52 am
Forum: General discussion
Topic: 2D materials and EPW
Replies: 4
Views: 27795

Re: 2D materials and EPW

Hello! Can we now use the new version (EPW v5.5) to calculate the electron mobility of 2D materials?
by jhosamelly
Fri Sep 10, 2021 7:23 am
Forum: Electron-phonon
Topic: On the electrnonic life time and el-ph coupling
Replies: 3
Views: 22058

Re: On the electrnonic life time and el-ph coupling

Hello! I also need to calculate electronic lifetime. Can you please provide the step-by-step process? Thank you.
by jhosamelly
Thu Sep 09, 2021 12:45 pm
Forum: Running the code
Topic: Why is my xx and yy components for mobility not the same?
Replies: 1
Views: 2937

Why is my xx and yy components for mobility not the same?

Hello everyone! I am doing electron mobility calculations of MoS2. Here's the link to relevant output and input files https://drive.google.com/drive/folders/18T9k6c5Fbf_jJuSIAhqVQZqc_BEs-oWQ?usp=sharing . I was just wondering why in my result, the xx and yy components of the electron mobility matrix...
by jhosamelly
Wed Sep 01, 2021 2:36 am
Forum: Running the code
Topic: Inquiry about high k point mesh for interpolation and population SR
Replies: 2
Views: 3412

Inquiry about high k point mesh for interpolation and population SR

Hello! I did an electron mobility calculation for MoS2 with the following input files: scf calculation &CONTROL calculation = 'scf', prefix = 'mos2', outdir = './' pseudo_dir = '/home/melsa.ducut/scratch2/nc-fr-04_pbe_standard' wf_collect = .true., disk_io = 'low', verbosity = 'high', / &SYSTEM ibra...
by jhosamelly
Thu Aug 26, 2021 2:48 am
Forum: Running the code
Topic: How can I get the kpoints input file needed for the epw calc?
Replies: 2
Views: 2466

How can I get the kpoints input file needed for the epw calc?

In this tutorial https://drive.google.com/file/d/1wH16DLh0hdpM4xM6iazfV_pJwG_D6fG8/view exercise 2. There is a file LGXKG.txt. Based on the recording, I can use the tool https://www.materialscloud.org/work/tools/seekpath . However, when I tried to input the scf/nscf file there, it did not bring out ...
by jhosamelly
Tue Jul 27, 2021 2:20 am
Forum: Running the code
Topic: Bad termination error during epw1 calculation
Replies: 1
Views: 1519

Bad termination error during epw1 calculation

I am doing mobility calculations for pristine MoS2. Was able to do scf>ph>pp.py>nscf but I encountered a problem when I did the epw1 calculations. There is a bad termination error. Here is the last few lines before the error and the error itself. Reading data about k-point neighbours - All neighbour...