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run_example |
README
This example illustrates how to calculate electron-phonon interaction coefficients, for a (444) Monkhorst-Pack (MP) grid of q-points, in fcc Al by using the optimized tetrahedron method. IMPORTANT NOTICE: the calculation of electron-phonon coefficients is tricky. Do not attempt it unless you have a clear idea of the technical problems (e.g. very slow convergence with k-point grid,, divergence at q=>0 for optical modes). Carefully read the relevant literature first. The calculation proceeds as follows (for the meaning of the cited input variables see the appropriate INPUT_* file) 1) make a self-consistent calculation for Al by using the optimized tetrahedron method (occupation = "tetrahedra_opt"). 2) make the phonon calculation for the shifted grid of q-points. ldisp = .true. and lshift_q = .true. 3) make the electron-phonon calculation for the shifted grid of q-points. ldisp = .true. and lshift_q = .true. and electron_phonon = "lambda" 4) Eliashberg function with alpha2f.x .