EPW Forum

Hi, When calculating the shortrange electron-phonon matrix element, in the rotate_epmat.f90 in the subroutine rgd_blk_epw , the longrange part is first substracted from the total matrix element and if the shortrange tag is set to true , the magnitude of the longrange part is substracted once more ...

Hi, Update: In the transport.f90 module, the matrix element are read as only the real part of the square of the matrix element in case of shortrange and not Gamma point. I am not able to figure out why this is the case, because in my case some of the shortrange matrix elements are pure imaginary and ...

The fermi energy is calculated separately using the DOS calculation from Quantum espresso and for a doping density of 1e17 cm-3(assuming complete ionization). The top of the valence band in around 10 eV and the bottom of the conduction band is around 12.5 eV obtained under the LDA. For any more ...

Hi, I am currently calculating the shortrange scattering rate for alpha-Ga2O3, but scattering rates at some energy values are coming out to be negative. I donot understand what could be the possible reason for this result. Here is the input: -- &inputepw prefix = 'aGa2O3' amass(1) = 69.723 amass(2 ...

Thank You Carla!

Hi, I am trying to implement the Frohlich Electron-Phonon Vertex in the paper m. For eigendisplacements in the matrix element expression, I am using the values generated after running DFPT (Quantum Espresso). Also since my analysis involves only optical phonons, I consider q points very close to the ...

Dear all,
Is there a way to obtain just the POP matrix elements from the code?
In the system that I am studying, the polar optical phonon scattering is the major contributor that inhibits electron mobility. So I just want to analyse the POP modes.

Thank You,
Ankit Sharma