EPW Forum

Hello! Can we now use the new version (EPW v5.5) to calculate the electron mobility of 2D materials?

Hello! I also need to calculate electronic lifetime. Can you please provide the step-by-step process? Thank you.

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 ...

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 ...

Thank you for this!

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 ...

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 ...