Issue in MoS2 EPW Band-Structure
Posted: Thu Aug 28, 2025 5:25 am
Dear all,
I tried to calculate the Phonon-assisted Optical Absorption of MoS2. I faced an issue in the interpolation of the electronic and phononic band structure (using eig_read=.false.). I couldn't match the DFT band structure and phonon dispersion calculated via QE. Kindly assist me in getting the proper band structure and phonon dispersion for MoS2. I have attached the results and inputs.
1. Band Structure
2. Phonon Dispersion
3. Inputs
I tried to calculate the Phonon-assisted Optical Absorption of MoS2. I faced an issue in the interpolation of the electronic and phononic band structure (using eig_read=.false.). I couldn't match the DFT band structure and phonon dispersion calculated via QE. Kindly assist me in getting the proper band structure and phonon dispersion for MoS2. I have attached the results and inputs.
1. Band Structure
- MoS2_EPW.jpg (147.81 KiB) Viewed 1750 times
- phband(1)(1).jpg (221.59 KiB) Viewed 1750 times