mirror of https://gitlab.com/QEF/q-e.git
534 B
534 B
Common setup
- scf.in, ph.in, q2r.in, matdyn.in, scf.in
Testset 1: 4 bands (valence only)
- nscf1.in, ahc1.in, epw11.in, epw12.in
- lifc = .false.
- vme = 'dipole'
- epw11.in: Use
lopt_w2b = .true.
- epw12.in: use elecselfen_type = 'adiabatic'
Testset 2: 8 bands (valence + conduction)
- nscf2.in, ahc2.in, epw21.in, epw22.in, epw23.in
- Set ahc_win_max to a finite value, use bands_skipped, use disentanglement
- lifc = .true.
- vme = 'wannier'
- epw23.in: Compute self-energy and spectral function. Use
lopt_w2b = .true.