EPW Forum

Hi Xiaozha, Thank you for your response. I am attaching the input files used for both the Wannier (epw1) and the transport (epw2) calculations. For the Wannier calculations, I did not choose an interpolated grid, so the nkf grid is set to 1x1x1 in order to generate the necessary files to restart the ...

Hi, I am encountering an error while attempting to solve the Boltzmann Transport Equation (BTE) using EPW. The error message is: "Error in routine efermig (1): internal error, cannot bracket Ef." I have verified that the output file appears to be reading the Fermi level correctly, but the error ...

Hi, Thanks for your reply. When I use 'interpolated' tag for electron-phonon. Then, also error is coming at kx = 0.5 stating that error might be in previous line. I want to calculate the matrix elements for initial state set at "L" high symmetry point. Please let me know the proper way to perform ...

Hi, I am trying to run a direct evaluation of electron-phonon matrix elements along the selected high-symmetry lines using density-functional perturbation theory but I am getting this error: Error in routine read_control_ph (1): wrong elph My ephline.in file is : &inputph prefix = 'XYZ' fildvscf ...