Search found 3 matches

by qdhao
Thu Mar 16, 2023 7:38 am
Forum: General discussion
Topic: Calculation of Seebeck coefficient and electronic thermal conductivity based on BTE theory
Replies: 0
Views: 14672

Calculation of Seebeck coefficient and electronic thermal conductivity based on BTE theory

Hi everyone, I am using EPW to calculate the electrical properties of some materials based on DFT and BTE. I know that EPW can calculate the electrical conductivity and the carrier mobility, but I am wondering how to calculate the electronic thermal conductivity and the Seebeck coefficient using EPW...
by qdhao
Sat Sep 17, 2022 8:16 am
Forum: General discussion
Topic: Calculation of Electronic Self-Energy in Metal Systems
Replies: 0
Views: 5031

Calculation of Electronic Self-Energy in Metal Systems

Dear all I'm using EPW to calculate the electron self-energy of beryllium, which is used to calculate the relaxation time to get the conductivity by my code. But no matter how I adjust the parameters, I can't get the correct imaginary part of electron self-energy, the values at each temperature are ...
by qdhao
Mon Jun 06, 2022 8:09 am
Forum: Running the code
Topic: Error in routine read_ephmat
Replies: 1
Views: 1695

Error in routine read_ephmat

Dear all I encountered the following error while using EPW v.5.4 to calculate the anisotropic superconducting gap. I'm using PAW pseudopotentials and my input files are also added below.Although I tried my best to read the source code, I still don't understand why this error occurs. Any help would b...