setup_k_total Subroutine

public subroutine setup_k_total(nI)

Arguments

Type IntentOptional Attributes Name
integer, intent(in), optional :: nI(nel)

Contents

Source Code


Source Code

    subroutine setup_k_total(nI)
        integer, intent(in), optional :: nI(nel)
        character(*), parameter :: this_routine = "setup_k_total"

        integer :: i

        if (present(nI)) then

            ktotal = 0

            do i = 1, nel
                kTotal = lat%add_k_vec(kTotal, G1(nI(i))%k)
            end do

            if (.not. t_k_space_hubbard) then
                call MomPbcSym(kTotal, nBasisMax)
            end if

        else
            ! do i based on the HF det!
            call stop_all(this_routine, "not yet implemented")
        end if

    end subroutine setup_k_total