Dear community, I need to calculate the electron-phonons matrix elements of a simple defect in a bulk materials. I use a super cell that is large enough to study the system at gamma only: - For the scf: k=gamma and k=2^3 give the same total energies (+/- 1 meV/at). - For the phonons: q=gamma and q=2^3 give the same ph-DOS (after interpolations).
However, reading the el-ph documentation and examples, it is suggested that these two steps must be done on a dense k-points and q-points grids. Has this suggestion been done only for simple cells? (and is then not necessary for huge super cells...) Any comment would be apreciated, Best regards, Antoine Jay
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