quantum-espresso/test-suite/epw_wfpt/README.md

296 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

Testset 2: 8 bands (valence + conduction)

  • Set ahc_win_max to a finite value, use bands_skipped, use disentanglement
  • nscf2.in, ahc2.in, epw21.in, epw22.in