gyrotropic_get_NOA_Bnl_spin Subroutine

private subroutine gyrotropic_get_NOA_Bnl_spin(S_h, num_occ, occ_list, num_unocc, unocc_list, Bnl)

Uses

  • proc~~gyrotropic_get_noa_bnl_spin~~UsesGraph proc~gyrotropic_get_noa_bnl_spin gyrotropic_get_NOA_Bnl_spin module~w90_constants w90_constants proc~gyrotropic_get_noa_bnl_spin->module~w90_constants

Arguments

Type IntentOptional Attributes Name
complex(kind=dp), intent(in) :: S_h(:,:,:)
integer, intent(in) :: num_occ
integer, intent(in) :: occ_list(:)
integer, intent(in) :: num_unocc
integer, intent(in) :: unocc_list(:)
complex(kind=dp), intent(out) :: Bnl(:,:,:,:)

Called by

proc~~gyrotropic_get_noa_bnl_spin~~CalledByGraph proc~gyrotropic_get_noa_bnl_spin gyrotropic_get_NOA_Bnl_spin proc~gyrotropic_get_noa_k gyrotropic_get_NOA_k proc~gyrotropic_get_noa_k->proc~gyrotropic_get_noa_bnl_spin proc~gyrotropic_get_k_list gyrotropic_get_k_list proc~gyrotropic_get_k_list->proc~gyrotropic_get_noa_k proc~gyrotropic_main gyrotropic_main proc~gyrotropic_main->proc~gyrotropic_get_k_list program~postw90 postw90 program~postw90->proc~gyrotropic_main

Source Code

  subroutine gyrotropic_get_NOA_Bnl_spin(S_h, num_occ, occ_list, num_unocc, unocc_list, Bnl)
    !================================================!
    !
    ! Calculating the matrix
    ! B_{nl,ac}^spin(num_occ,num_unocc,3,3)=
    !      -i  eps_{abc}  < u_n | sigma_b | u_l >
    !   ( dimensionless )
    !================================================!

    use w90_constants, only: dp, cmplx_i, cmplx_0

    implicit none

    ! arguments
    integer, intent(in) :: num_occ, num_unocc
    integer, intent(in) :: occ_list(:), unocc_list(:)
    complex(kind=dp), intent(in) :: S_h(:, :, :)     !  n,l,a
    complex(kind=dp), intent(out) :: Bnl(:, :, :, :)     !   n,l,a,c

    ! local variables
    integer n, l, a, b, c, n1, l1

    Bnl(:, :, :, :) = cmplx_0

    do b = 1, 3
      c = alpha_A(b)
      a = beta_A(b)
      do n1 = 1, num_occ
        n = occ_list(n1)
        do l1 = 1, num_unocc
          l = unocc_list(l1)
          Bnl(n1, l1, a, c) = S_h(n, l, b)
        end do !l1
      end do !n1
    end do !b

    Bnl = Bnl*(-cmplx_i)

  end subroutine gyrotropic_get_NOA_Bnl_spin