Why all bands are projected in cgwf3.F90
Moderators: mverstra, joaocarloscabreu
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Why all bands are projected in cgwf3.F90
In cgwf3.F90, it seems that not only occupied bands but also unoccupied bands, i.e. all bands are orthogonal to the response orbitals. Within density functional perturbation theory, I think only occupied bands should be orthogonal to the response orbitals.