Dear All, I have two questions regarding the calculations of electron-phonon interaction coefficients as described in the user guide:
http://www.quantum-espresso.org/wp-content/uploads/Doc/ph_user_guide/node9.html 1. Is the second step, i.e. the step using a coarse k-point grid for SCF calculations necessary? 2. Setting nq1, nq2, and nq3 in an input file leads to a different q-point coordinates from that generated by the kpoints.x program. Shouldn't the resulting coordinates be the same? Thanks! Andy (Ohio State U, Physics Department)
_______________________________________________ Pw_forum mailing list Pw_forum@pwscf.org http://pwscf.org/mailman/listinfo/pw_forum
