input_simple.f90

 MODULE input_simple

  USE kinds, ONLY : DP
  USE becmod, ONLY : bec_type,deallocate_bec_type
  USE klist, ONLY : nks

  SAVE

  INTEGER :: calc_mode  ! calculation mode: 0 = BSE calculation, 1 = IP calculation

  INTEGER :: num_val !valence bands to be included starting from HOMO 
  INTEGER :: num_cond !conduction bands to be included starting from LUMO  
  REAL(kind=DP) :: s_bands !threshold for Shirley's algorithm
  
  COMPLEX(kind=DP), POINTER :: wfc_e(:,:)!common basis for wfcs at every k point
  INTEGER :: ntot_e!their total number
  INTEGER :: npw_max!max number of differ G for that  MPI task considering all k-points

  COMPLEX(kind=DP), POINTER :: vkb_max(:,:)!projectors for US peudos in commom G ordering
  TYPE(bec_type), POINTER ::  bec_e(:)!<beta_k|wfc_e>

  COMPLEX(kind=DP), POINTER :: prod_e(:,:)!common basis for wfc products
  INTEGER :: nprod_e!their number
  REAL(kind=DP) :: s_product!treshold for products

  LOGICAL :: l_truncated_coulomb=.false.   !if true truncate the Coulomb potential
  REAL(kind=DP) :: truncation_radius    !in Bohr

  INTEGER :: nkpoints(3)  !k-points grid
  LOGICAL :: nonlocal_commutator=.true.
  !INTEGER :: interp_npw = -1    ! number of plane waves used for the Shirley interpolation

  INTEGER :: numpw !dimension of polarizability basis of GWW, if == 0 do not call routines, it adds automatically +1 for extended systems (from pw4gww)

  LOGICAL :: l_debug  !options for using plane waves instead of KS states for debugging purposes only
  INTEGER :: n_debug  !number of G waves along each cartesian direction for debug 

  INTEGER :: w_type  !approximation used for W_c: 0 from GWW extrapolated, 1 diagonal model function for screening
  REAL(kind=DP) :: epsm  !parameter eps_m for diagonal model of epsilon (dielectric constant, eps_{\infty})
  REAL(kind=DP) :: lambdam  !parameter lambda for diagonal model of epsilon

  CHARACTER(LEN=256) :: prefix_small  !name of calculation on small cell

CONTAINS

  subroutine deallocate_simple
    USE uspp, ONLY : okvan

    implicit none
    
    INTEGER :: i
    
    if(okvan) then
       do i=1,nks
          call deallocate_bec_type(bec_e(i))
       enddo
    endif
    if(associated(wfc_e)) deallocate(wfc_e)
    if(associated(bec_e)) deallocate(bec_e)

    return
  end subroutine deallocate_simple

  subroutine allocate_simple

    implicit none

    allocate(bec_e(nks))

  end  subroutine allocate_simple

END MODULE input_simple