AVERAGEWLDAU Subroutine

public subroutine AVERAGEWLDAU(NATOM, NSPIN, LDAU)

Uses

It computes the average of the diagonal elements of the LDA+U potential for each spin For details see notes on LDA+U implementation

Arguments

Type IntentOptional Attributes Name
integer :: NATOM
integer :: NSPIN
type(LDAU_TYPE) :: LDAU(:)