Skip to content

GTH bug

giannozz requested to merge giannozz/q-e:gthbug into develop

Missing factor (105) in the analytical form of GTH pseudopotentials. Courtesy Fadjar Fathurrahman NB: I also added the same factor to mk_dffnl_gth because I think it should be there, but I have no "experimental" evidence in support. Should fix issue #86 (closed)

Merge request reports