getProjEOffset Subroutine

public subroutine getProjEOffset()

Arguments

None

Source Code

    subroutine getProjEOffset()
        ! get the offset of the projected energy versus the total energy,
        ! which is the reference energy

        implicit none
        ! if the reference energy is used as an offset to the hamiltonian (default behaviour)
        ! just get it
        if(.not.tZeroRef) then
            OutputHii = Hii
        ! else, calculate the reference energy
        else if (tHPHF) then
            OutputHii = hphf_diag_helement (ProjEDet(:,1), iLutRef(:,1))
        else if (tGUGA) then
            OutputHii = calcDiagMatEleGUGA_nI(ProjEDet(:,1))
        else
            OutputHii = get_helement (ProjEDet(:,1), ProjEDet(:,1), 0)
        end if


    end subroutine getProjEOffset