EPW Forum

Dear Sam, Thanks for your instruction! Regarding high doping case with the fermi_energy higher than CBM, I modified the utilities.f90, ephwann_shuffle.f90, and ephwan_shuffle_mem.f90，deactivating subroutine fermicarriers, and simply setting input fermi_energy to conduction band Fermi level (efcb). ...

Hello, When I run the GaN-II transport example(https://docs.epw-code.org/doc/GaN-II.html) with a high carrier concentration, I adopt most of the example's parameters but increase the ncarrier: e.g. "scattering=.true. efermi_read = .true., fermi_energy = 13.0 ; scattering =.true. int_mob = .false ...

Dear Carla, Thanks! But I am still confused with how to add screening for el-ph matrix and mobility calculations using EPW. Taking GaN as an example (https://docs.epw-code.org/doc/GaN-II.html) When I do mobility calculations, in epw2.in, I set " scattering=.true. int_mob = .false.; carrier = .true ...

Dear all, To calculate the carrier mobility for small band gap semiconductors with free carriers (1E20), I tried a few scissor-shifts to increase the gap. However, I am always getting the following errors, for example, Valence band maximum = 7.468149 eV Conduction band minimum = 8.055196 eV Warning ...

Dear all, I have a problem to include the screening of the electron-phonon matrix by free carriers during the calculation of mobility. It looks like the tag lscreen and scr_typ did nothing. However, this functionality should have been included by EPW, as seen in Nat. Comm. 8, 15769 (2017 ...