About DOS Difference Related to Eigenvalues Readin
Posted: Tue Aug 01, 2023 10:46 am
Dear Friends,
I was doing a compare calculation of the same set of system. Firstly I did the calculation with Wannierize = .true., then I replaced the input file with Wannierize = .false. and eig_read = .true. to readin a set of prefix.eig from former Wannierized file. However, there are around 3% difference of DOS between the two calculations, under the same fermi energy and smearing. Does anyone know where the DOS is calculated in EPW, or where the eigenvalues are read into EPW?
Thank you for your response.
Best regards,
Chendix
I was doing a compare calculation of the same set of system. Firstly I did the calculation with Wannierize = .true., then I replaced the input file with Wannierize = .false. and eig_read = .true. to readin a set of prefix.eig from former Wannierized file. However, there are around 3% difference of DOS between the two calculations, under the same fermi energy and smearing. Does anyone know where the DOS is calculated in EPW, or where the eigenvalues are read into EPW?
Thank you for your response.
Best regards,
Chendix