[Pw_forum] Calculation of electron-phonon interaction coefficients
Caloma Trumica
spmmal at gmail.com
Sat Jan 28 16:22:34 CET 2017
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)
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