diff --git a/src/disentangle.F90 b/src/disentangle.F90
index aa45013c..3bcd9694 100644
--- a/src/disentangle.F90
+++ b/src/disentangle.F90
@@ -136,8 +136,8 @@ subroutine dis_main(dis_control, dis_spheres, dis_manifold, kmesh_info, kpt_latt
 
     ! Set up energy windows
     if (dis_manifold%frozen_proj) then
-      call dis_windows_proj(dis_manifold, eigval_opt, a_matrix, m_matrix_orig_local, kpt_latt, &
-                            recip_lattice, indxfroz, indxnfroz, ndimfroz, dis_manifold%nfirstwin, &
+      call dis_windows_proj(dis_manifold, eigval_opt, a_matrix, m_matrix_orig_local, &
+                            indxfroz, indxnfroz, ndimfroz, dis_manifold%nfirstwin, &
                             print_output%iprint, kmesh_info%nnlist, kmesh_info%nntot, num_bands, &
                             num_kpts, num_wann, print_output%timing_level, lfrozen, linner, &
                             on_root, stdout, dist_k, global_k, my_node_id, timer, error, comm)
@@ -1182,7 +1182,7 @@ subroutine dis_windows(dis_spheres, dis_manifold, eigval_opt, kpt_latt, recip_la
   end subroutine dis_windows
 
   subroutine dis_windows_proj(dis_manifold, eigval_opt, a_matrix, m_matrix_orig_local, &
-                              kpt_latt, recip_lattice, indxfroz, indxnfroz, ndimfroz, nfirstwin, iprint, nnlist, &
+                              indxfroz, indxnfroz, ndimfroz, nfirstwin, iprint, nnlist, &
                               nntot, num_bands, num_kpts, num_wann, timing_level, lfrozen, &
                               linner, on_root, stdout, dist_k, global_k, my_node_id, timer, error, comm)
     !==================================================================!
@@ -1242,7 +1242,6 @@ subroutine dis_windows_proj(dis_manifold, eigval_opt, a_matrix, m_matrix_orig_lo
 
     complex(kind=dp), intent(inout) :: a_matrix(:, :, :)
     complex(kind=dp), intent(inout) :: m_matrix_orig_local(:, :, :, :)
-    real(kind=dp), intent(in) :: kpt_latt(3, num_kpts), recip_lattice(3, 3)
     real(kind=dp), intent(inout) :: eigval_opt(:, :)
 
     logical, intent(in) :: on_root
@@ -1257,7 +1256,7 @@ subroutine dis_windows_proj(dis_manifold, eigval_opt, a_matrix, m_matrix_orig_lo
     !                     orignal outter window, and to generate a new outter window.
     !                     (equals 1 if it is the bottom of outer window)
 
-    integer :: nkp, nn, nkp2, nkp_global, ierr
+    integer :: nkp, nn, nkp2, nkp_global
     integer :: i, j, k, l
     real(kind=dp) :: projs(num_bands)
     integer :: invindxkeep(num_bands)
diff --git a/src/library_extra.F90 b/src/library_extra.F90
index fddd7698..f2f98654 100644
--- a/src/library_extra.F90
+++ b/src/library_extra.F90
@@ -70,7 +70,7 @@ subroutine input_reader_special(common_data, seedname, istdout, istderr, ierr)
     use w90_error_base, only: w90_error_type
     use w90_error, only: set_error_input, set_error_fatal, set_error_alloc
     use w90_readwrite, only: w90_readwrite_in_file, w90_readwrite_clean_infile
-    use w90_wannier90_readwrite, only: w90_wannier90_readwrite_read_special, w90_extra_io_type
+    use w90_wannier90_readwrite, only: w90_wannier90_readwrite_read_special
 
     implicit none
 
@@ -370,19 +370,15 @@ subroutine write_chkpt(common_data, label, istdout, istderr, ierr)
       return
     endif
 
-    u(:, :, :) = 0.d0
-    uopt(:, :, :) = 0.d0
+    u(:, :, :) = common_data%u_matrix
+    uopt(:, :, :) = common_data%u_opt
     m(:, :, :, :) = 0.d0
 
     do ikl = 1, nkrank
       ikg = global_k(ikl)
-      u(:, :, ikg) = common_data%u_matrix(:, :, ikl)
-      uopt(:, :, ikg) = common_data%u_opt(:, :, ikl)
       m(:, :, :, ikg) = common_data%m_matrix_local(1:nw, 1:nw, :, ikl)
     enddo
 
-    call comms_reduce(u(1, 1, 1), nw*nw*nk, 'SUM', error, common_data%comm)
-    call comms_reduce(uopt(1, 1, 1), nb*nw*nk, 'SUM', error, common_data%comm)
     call comms_reduce(m(1, 1, 1, 1), nw*nw*nn*nk, 'SUM', error, common_data%comm)
     if (allocated(error)) then
       call prterr(error, ierr, istdout, istderr, common_data%comm)
diff --git a/src/library_interface.F90 b/src/library_interface.F90
index 898d400c..5378929d 100644
--- a/src/library_interface.F90
+++ b/src/library_interface.F90
@@ -223,7 +223,7 @@ subroutine w90_input_setopt(common_data, seedname, istdout, istderr, ierr)
     use w90_comms, only: w90_comm_type, valid_communicator
     use w90_kmesh, only: kmesh_get
     use w90_wannier90_readwrite, only: w90_wannier90_readwrite_read, &
-      w90_wannier90_readwrite_read_special, w90_extra_io_type
+      w90_wannier90_readwrite_read_special
 
     implicit none
 
@@ -235,7 +235,6 @@ subroutine w90_input_setopt(common_data, seedname, istdout, istderr, ierr)
 
     ! local variables
     type(w90_error_type), allocatable :: error
-    type(w90_extra_io_type) :: io_params
     logical :: cp_pp, disentanglement
 
     ierr = 0
@@ -333,7 +332,7 @@ subroutine w90_input_setopt(common_data, seedname, istdout, istderr, ierr)
                                       common_data%wvfn_read, common_data%wann_control, &
                                       common_data%real_space_ham, common_data%kpoint_path, &
                                       common_data%w90_system, common_data%tran, &
-                                      common_data%print_output, common_data%wann_plot, io_params, &
+                                      common_data%print_output, common_data%wann_plot, &
                                       common_data%ws_region, common_data%real_lattice, &
                                       common_data%w90_calculation, common_data%physics%bohr, &
                                       common_data%sitesym%symmetrize_eps, common_data%num_bands, &
@@ -361,7 +360,7 @@ subroutine w90_input_reader(common_data, istdout, istderr, ierr)
     use w90_error_base, only: w90_error_type
     use w90_error, only: set_error_input, set_error_fatal, set_error_alloc, code_mpi
     use w90_readwrite, only: w90_readwrite_in_file, w90_readwrite_clean_infile
-    use w90_wannier90_readwrite, only: w90_wannier90_readwrite_read, w90_extra_io_type
+    use w90_wannier90_readwrite, only: w90_wannier90_readwrite_read
 
     implicit none
 
@@ -372,7 +371,6 @@ subroutine w90_input_reader(common_data, istdout, istderr, ierr)
 
     ! local variables
     type(w90_error_type), allocatable :: error
-    type(w90_extra_io_type) :: io_params
     logical :: cp_pp
 
     ierr = 0
@@ -408,7 +406,7 @@ subroutine w90_input_reader(common_data, istdout, istderr, ierr)
                                       common_data%wvfn_read, common_data%wann_control, &
                                       common_data%real_space_ham, common_data%kpoint_path, &
                                       common_data%w90_system, common_data%tran, &
-                                      common_data%print_output, common_data%wann_plot, io_params, &
+                                      common_data%print_output, common_data%wann_plot, &
                                       common_data%ws_region, common_data%real_lattice, &
                                       common_data%w90_calculation, common_data%physics%bohr, &
                                       common_data%sitesym%symmetrize_eps, common_data%num_bands, &
@@ -1157,7 +1155,7 @@ end subroutine w90_set_comm
   subroutine input_print_details(common_data, istdout, istderr, ierr)
     use w90_error_base, only: w90_error_type
     use w90_readwrite, only: w90_readwrite_write_header
-    use w90_wannier90_readwrite, only: w90_wannier90_readwrite_write, w90_extra_io_type
+    use w90_wannier90_readwrite, only: w90_wannier90_readwrite_write
     use w90_comms, only: mpisize, mpirank
 
     implicit none
@@ -1169,7 +1167,6 @@ subroutine input_print_details(common_data, istdout, istderr, ierr)
 
     ! local variables
     type(w90_error_type), allocatable :: error
-    type(w90_extra_io_type) :: io_params ! what is this? fixme
     integer :: mpi_size
 
     ierr = 0
@@ -1194,7 +1191,7 @@ subroutine input_print_details(common_data, istdout, istderr, ierr)
                                        common_data%select_proj, common_data%kpoint_path, &
                                        common_data%tran, common_data%print_output, &
                                        common_data%wannier_data, &
-                                       common_data%wann_plot, io_params, &
+                                       common_data%wann_plot, &
                                        common_data%w90_calculation, common_data%real_lattice, &
                                        common_data%sitesym%symmetrize_eps, common_data%mp_grid, &
                                        common_data%num_bands, common_data%num_kpts, &
diff --git a/src/plot.F90 b/src/plot.F90
index 9982810a..ddd31396 100644
--- a/src/plot.F90
+++ b/src/plot.F90
@@ -419,7 +419,7 @@ subroutine plot_interpolate_bands(mp_grid, real_lattice, band_plot, kpoint_path,
     character(len=20), allocatable :: ctemp(:)
 
     ! mpi variables
-    integer ::  my_node_id, num_nodes, size_rdist, size_ndeg
+    integer ::  my_node_id, num_nodes
     logical ::  on_root
     integer, allocatable :: counts(:)
     integer, allocatable :: displs(:)
diff --git a/src/readwrite.F90 b/src/readwrite.F90
index 4a143b3f..ae88808b 100644
--- a/src/readwrite.F90
+++ b/src/readwrite.F90
@@ -3564,7 +3564,7 @@ subroutine w90_readwrite_get_range_vector(settings, keyword, found, length, lcou
     return
   end subroutine w90_readwrite_get_range_vector
 
-  subroutine w90_readwrite_get_centre_constraints(settings, ccentres_frac, ccentres_cart, &
+  subroutine w90_readwrite_get_centre_constraints(settings, ccentres_cart, &
                                                   proj_site, num_wann, real_lattice, error, comm)
     !================================================!
     !!  assigns projection centres as default centre constraints and global
@@ -3572,10 +3572,12 @@ subroutine w90_readwrite_get_centre_constraints(settings, ccentres_frac, ccentre
     !!  the centre_constraints block for individual centre constraint parameters
     !
     !================================================!
-    use w90_error, only: w90_error_type, set_error_input
+    use w90_error, only: w90_error_type, set_error_input, set_error_alloc, set_error_dealloc
     use w90_utility, only: utility_frac_to_cart
     implicit none
-    real(kind=dp), intent(inout) :: ccentres_frac(:, :), ccentres_cart(:, :)
+
+    ! arguments
+    real(kind=dp), intent(inout) :: ccentres_cart(:, :)
     real(kind=dp), intent(in) :: proj_site(:, :)
     integer, intent(in) :: num_wann
     real(kind=dp), intent(in) :: real_lattice(3, 3)
@@ -3583,9 +3585,17 @@ subroutine w90_readwrite_get_centre_constraints(settings, ccentres_frac, ccentre
     type(w90_comm_type), intent(in) :: comm
     type(settings_type), intent(inout) :: settings
 
-    integer :: loop1, index1, constraint_num, loop2
+    ! local variables
+    integer :: loop1, index1, constraint_num, loop2, ierr
     integer :: column, start, finish, wann
     character(len=maxlen) :: dummy
+    real(kind=dp), allocatable :: ccentres_frac(:, :)
+
+    allocate (ccentres_frac(num_wann, 3), stat=ierr)
+    if (ierr /= 0) then
+      call set_error_alloc(error, 'Error allocating ccentres_frac in w90_readwrite_get_centre_constraints', comm)
+      return
+    endif
 
     do loop1 = 1, num_wann
       do loop2 = 1, 3
@@ -3655,6 +3665,12 @@ subroutine w90_readwrite_get_centre_constraints(settings, ccentres_frac, ccentre
       call utility_frac_to_cart(ccentres_frac(loop1, :), &
                                 ccentres_cart(loop1, :), real_lattice)
     end do
+
+    deallocate (ccentres_frac, stat=ierr)
+    if (ierr /= 0) then
+      call set_error_dealloc(error, 'Error deallocating ccentres_frac in w90_readwrite_get_centre_constraints', comm)
+      return
+    endif
   end subroutine w90_readwrite_get_centre_constraints
 
   !================================================!
diff --git a/src/wannier90_readwrite.F90 b/src/wannier90_readwrite.F90
index 5876b650..ef82dd19 100644
--- a/src/wannier90_readwrite.F90
+++ b/src/wannier90_readwrite.F90
@@ -31,13 +31,6 @@ module w90_wannier90_readwrite
 
   private
 
-  type w90_extra_io_type
-    character(len=20) :: one_dim_axis = 'none'
-    real(kind=dp), allocatable :: ccentres_frac(:, :)
-    !! Constrained centres
-  end type w90_extra_io_type
-
-  public :: w90_extra_io_type
   public :: w90_wannier90_readwrite_memory_estimate
   public :: w90_wannier90_readwrite_read
   public :: w90_wannier90_readwrite_read_special
@@ -52,10 +45,9 @@ subroutine w90_wannier90_readwrite_read_special(settings, atom_data, kmesh_input
                                                   kpt_latt, wann_control, proj, proj_input, &
                                                   select_proj, w90_system, w90_calculation, &
                                                   real_lattice, bohr, mp_grid, num_bands, &
-                                                  exclude_bands, &
-                                                  num_kpts, num_proj, num_wann, gamma_only, &
-                                                  lhasproj, use_bloch_phases, distk, stdout, &
-                                                  error, comm)
+                                                  exclude_bands, num_kpts, num_proj, num_wann, &
+                                                  gamma_only, lhasproj, use_bloch_phases, distk, &
+                                                  stdout, error, comm)
     !================================================!
     !
     !! Read parameters and calculate derived values
@@ -171,16 +163,14 @@ end subroutine w90_wannier90_readwrite_read_special
 
   !================================================!
   subroutine w90_wannier90_readwrite_read(settings, band_plot, dis_control, dis_spheres, &
-                                          dis_manifold, fermi_energy_list, &
-                                          fermi_surface_data, &
-                                          output_file, wvfn_read, wann_control, &
-                                          real_space_ham, kpoint_path, w90_system, &
-                                          tran, print_output, wann_plot, w90_extra_io, ws_region, &
-                                          real_lattice, w90_calculation, bohr, &
-                                          symmetrize_eps, num_bands, num_kpts, &
-                                          num_wann, optimisation, calc_only_A, cp_pp, &
-                                          gamma_only, lsitesymmetry, use_bloch_phases, &
-                                          seedname, stdout, error, comm)
+                                          dis_manifold, fermi_energy_list, fermi_surface_data, &
+                                          output_file, wvfn_read, wann_control, real_space_ham, &
+                                          kpoint_path, w90_system, tran, print_output, wann_plot, &
+                                          ws_region, real_lattice, w90_calculation, bohr, &
+                                          symmetrize_eps, num_bands, num_kpts, num_wann, &
+                                          optimisation, calc_only_A, cp_pp, gamma_only, &
+                                          lsitesymmetry, use_bloch_phases, seedname, stdout, &
+                                          error, comm)
     !================================================!
     !
     !! Read parameters and calculate derived values
@@ -211,7 +201,6 @@ subroutine w90_wannier90_readwrite_read(settings, band_plot, dis_control, dis_sp
     type(w90_calculation_type), intent(inout) :: w90_calculation
     type(w90_comm_type), intent(in) :: comm
     type(w90_error_type), allocatable, intent(out) :: error
-    type(w90_extra_io_type), intent(inout) :: w90_extra_io
     type(w90_system_type), intent(inout) :: w90_system
     type(wann_control_type), intent(inout) :: wann_control
     type(wannier_plot_type), intent(inout) :: wann_plot
@@ -272,7 +261,7 @@ subroutine w90_wannier90_readwrite_read(settings, band_plot, dis_control, dis_sp
       if (allocated(error)) return
 
       call w90_wannier90_readwrite_read_wannierise(settings, wann_control, num_wann, &
-                                                   w90_extra_io%ccentres_frac, stdout, error, comm)
+                                                   stdout, error, comm)
       if (allocated(error)) return
 
       call w90_readwrite_read_gamma_only(settings, gamma_only, num_kpts, error, comm)
@@ -320,9 +309,8 @@ subroutine w90_wannier90_readwrite_read(settings, band_plot, dis_control, dis_sp
       if (allocated(error)) return
 
     endif
-    ! BGS tran/plot related stuff...
-    call w90_wannier90_readwrite_read_one_dim(settings, w90_calculation, band_plot, &
-                                              real_space_ham, w90_extra_io%one_dim_axis, &
+
+    call w90_wannier90_readwrite_read_one_dim(settings, w90_calculation, band_plot, real_space_ham, &
                                               tran%read_ht, error, comm)
     if (allocated(error)) return
 
@@ -345,11 +333,10 @@ subroutine w90_wannier90_readwrite_read(settings, band_plot, dis_control, dis_sp
       if (allocated(error)) return
 
       if (wann_control%constrain%constrain) then
-        call w90_wannier90_readwrite_read_constrained_centres(settings, w90_extra_io%ccentres_frac, &
+        call w90_wannier90_readwrite_read_constrained_centres(settings, &
                                                               wann_control, real_lattice, &
                                                               num_wann, print_output%iprint, &
                                                               stdout, error, comm)
-        !fixme, ccentres_frac is not available for printing later...
         if (allocated(error)) return
       endif
     endif
@@ -599,21 +586,22 @@ end subroutine w90_wannier90_readwrite_read_dist_cutoff
 
   !================================================!
   subroutine w90_wannier90_readwrite_read_wannierise(settings, wann_control, num_wann, &
-                                                     ccentres_frac, stdout, error, comm)
+                                                     stdout, error, comm)
     !================================================!
     ! Wannierise
     !================================================!
     use w90_error, only: w90_error_type
     implicit none
 
+    ! arguments
     integer, intent(in) :: num_wann
     integer, intent(in) :: stdout
-    real(kind=dp), allocatable, intent(inout) :: ccentres_frac(:, :)
     type(settings_type), intent(inout) :: settings
     type(w90_comm_type), intent(in) :: comm
     type(w90_error_type), allocatable, intent(out) :: error
     type(wann_control_type), intent(inout) :: wann_control
 
+    ! local variables
     integer :: ierr
     logical :: found
 
@@ -752,11 +740,6 @@ subroutine w90_wannier90_readwrite_read_wannierise(settings, wann_control, num_w
 
     if (found .and. wann_control%constrain%constrain) then
       if (wann_control%constrain%selective_loc) then
-        allocate (ccentres_frac(num_wann, 3), stat=ierr)
-        if (ierr /= 0) then
-          call set_error_alloc(error, 'Error allocating ccentres_frac in w90_readwrite_get_centre_constraints', comm)
-          return
-        endif
         allocate (wann_control%constrain%centres(num_wann, 3), stat=ierr)
         if (ierr /= 0) then
           call set_error_alloc(error, 'Error allocating ccentres_cart in w90_readwrite_get_centre_constraints', comm)
@@ -1253,7 +1236,8 @@ subroutine w90_wannier90_readwrite_read_wann_plot(settings, wann_plot, num_wann,
   end subroutine w90_wannier90_readwrite_read_wann_plot
 
   !================================================!
-  subroutine w90_wannier90_readwrite_read_fermi_surface(settings, fermi_surface_data, fermi_surface_plot, error, comm)
+  subroutine w90_wannier90_readwrite_read_fermi_surface(settings, fermi_surface_data, &
+                                                        fermi_surface_plot, error, comm)
     !================================================!
     use w90_error, only: w90_error_type
     implicit none
@@ -1287,13 +1271,12 @@ subroutine w90_wannier90_readwrite_read_fermi_surface(settings, fermi_surface_da
   end subroutine w90_wannier90_readwrite_read_fermi_surface
 
   !================================================!
-  subroutine w90_wannier90_readwrite_read_one_dim(settings, w90_calculation, band_plot, real_space_ham, one_dim_axis, &
-                                                  tran_read_ht, error, comm)
+  subroutine w90_wannier90_readwrite_read_one_dim(settings, w90_calculation, band_plot, &
+                                                  real_space_ham, tran_read_ht, error, comm)
     !================================================!
     use w90_error, only: w90_error_type
     implicit none
 
-    character(len=*), intent(inout) :: one_dim_axis
     logical, intent(in) :: tran_read_ht
     type(band_plot_type), intent(in) :: band_plot
     type(real_space_ham_type), intent(inout) :: real_space_ham
@@ -1303,6 +1286,7 @@ subroutine w90_wannier90_readwrite_read_one_dim(settings, w90_calculation, band_
     type(w90_error_type), allocatable, intent(out) :: error
 
     logical :: found
+    character(len=256) :: one_dim_axis
 
     call w90_readwrite_get_keyword(settings, 'one_dim_axis', found, error, comm, c_value=one_dim_axis)
     if (allocated(error)) return
@@ -1352,7 +1336,8 @@ subroutine w90_wannier90_readwrite_read_hamil(settings, hamiltonian, error, comm
   end subroutine w90_wannier90_readwrite_read_hamil
 
   !================================================!
-  subroutine w90_wannier90_readwrite_read_bloch_phase(settings, use_bloch_phases, disentanglement, error, comm)
+  subroutine w90_wannier90_readwrite_read_bloch_phase(settings, use_bloch_phases, disentanglement, &
+                                                      error, comm)
     !================================================!
     use w90_error, only: w90_error_type
     implicit none
@@ -1398,7 +1383,6 @@ subroutine w90_wannier90_readwrite_read_explicit_kpts(settings, w90_calculation,
     integer :: i, k, ierr, rows
     logical :: found
 
-    ! get the nnkpts block -- this is allowed only in postproc-setup mode
     call w90_readwrite_get_block_length(settings, 'nnkpts', kmesh_info%explicit_nnkpts, rows, error, comm)
     if (allocated(error)) return
 
@@ -1643,14 +1627,13 @@ subroutine w90_wannier90_readwrite_read_projections(settings, proj, proj_input,
   end subroutine w90_wannier90_readwrite_read_projections
 
   !================================================!
-  subroutine w90_wannier90_readwrite_read_constrained_centres(settings, ccentres_frac, wann_control, &
+  subroutine w90_wannier90_readwrite_read_constrained_centres(settings, wann_control, &
                                                               real_lattice, num_wann, iprint, &
                                                               stdout, error, comm)
     !================================================!
     implicit none
 
     integer, intent(in) :: num_wann, iprint, stdout
-    real(kind=dp), intent(inout) :: ccentres_frac(:, :)
     real(kind=dp), intent(in) :: real_lattice(3, 3)
     type(settings_type), intent(inout) :: settings
     type(w90_comm_type), intent(in) :: comm
@@ -1667,7 +1650,7 @@ subroutine w90_wannier90_readwrite_read_constrained_centres(settings, ccentres_f
     if (found) then
       if (wann_control%constrain%constrain) then
         ! Allocate array for constrained centres
-        call w90_readwrite_get_centre_constraints(settings, ccentres_frac, &
+        call w90_readwrite_get_centre_constraints(settings, &
                                                   wann_control%constrain%centres, &
                                                   wann_control%guiding_centres%centres, &
                                                   num_wann, real_lattice, error, comm)
@@ -1685,7 +1668,7 @@ subroutine w90_wannier90_readwrite_read_constrained_centres(settings, ccentres_f
           return
         else
           ! Allocate array for constrained centres
-          call w90_readwrite_get_centre_constraints(settings, ccentres_frac, &
+          call w90_readwrite_get_centre_constraints(settings, &
                                                     wann_control%constrain%centres, &
                                                     wann_control%guiding_centres%centres, &
                                                     num_wann, real_lattice, error, comm)
@@ -1711,11 +1694,11 @@ subroutine w90_wannier90_readwrite_write(atom_data, band_plot, dis_control, dis_
                                            fermi_energy_list, fermi_surface_data, kpt_latt, &
                                            output_file, wvfn_read, wann_control, proj, proj_input, &
                                            real_space_ham, select_proj, kpoint_path, tran, &
-                                           print_output, wannier_data, wann_plot, w90_extra_io, &
-                                           w90_calculation, real_lattice, symmetrize_eps, mp_grid, &
-                                           num_bands, num_kpts, num_proj, num_wann, optimisation, &
-                                           cp_pp, gamma_only, lsitesymmetry, spinors, &
-                                           use_bloch_phases, stdout)
+                                           print_output, wannier_data, wann_plot, w90_calculation, &
+                                           real_lattice, symmetrize_eps, mp_grid, num_bands, &
+                                           num_kpts, num_proj, num_wann, optimisation, cp_pp, &
+                                           gamma_only, lsitesymmetry, spinors, use_bloch_phases, &
+                                           stdout)
     !================================================!
     !
     !! write wannier90 parameters to stdout
@@ -1743,7 +1726,6 @@ subroutine w90_wannier90_readwrite_write(atom_data, band_plot, dis_control, dis_
     type(select_projection_type), intent(in) :: select_proj
     type(proj_type), allocatable, intent(in) :: proj_input(:)
     type(kpoint_path_type), intent(in) :: kpoint_path
-    type(w90_extra_io_type), intent(in) :: w90_extra_io
     type(wannier_plot_type), intent(in) :: wann_plot
     type(proj_type), allocatable, intent(in) :: proj(:)
 
@@ -1767,16 +1749,26 @@ subroutine w90_wannier90_readwrite_write(atom_data, band_plot, dis_control, dis_
     logical, intent(in) :: spinors
 
     ! local variables
-    real(kind=dp) :: recip_lattice(3, 3), inv_lattice(3, 3), pos_frac(3), kpt_cart(3), volume
+    character(len=1) :: one_dim_axis
     integer :: i, nkp, loop, nat, nsp, bands_num_spec_points
-    real(kind=dp) :: cell_volume
     logical :: disentanglement
+    real(kind=dp) :: ccentres_frac(3)
+    real(kind=dp) :: cell_volume
+    real(kind=dp) :: recip_lattice(3, 3), inv_lattice(3, 3), pos_frac(3), kpt_cart(3), volume
 
     disentanglement = (num_bands > num_wann)
-    if (w90_calculation%transport .and. tran%read_ht) goto 401 !really?  fixme jj
 
-    ! System
-    if (print_output%iprint > 0) then
+    if (real_space_ham%one_dim_dir == 1) one_dim_axis = 'x'
+    if (real_space_ham%one_dim_dir == 2) one_dim_axis = 'y'
+    if (real_space_ham%one_dim_dir == 3) one_dim_axis = 'z'
+
+    call utility_inverse_mat(real_lattice, inv_lattice)
+
+    ! skip most printout if (w90_calculation%transport .and. tran%read_ht); continues with transport at end
+
+    if (print_output%iprint > 0 .and. .not. (w90_calculation%transport .and. tran%read_ht)) then
+
+      ! System
       write (stdout, *)
       write (stdout, '(36x,a6)') '------'
       write (stdout, '(36x,a6)') 'SYSTEM'
@@ -1821,7 +1813,6 @@ subroutine w90_wannier90_readwrite_write(atom_data, band_plot, dis_control, dis_
           write (stdout, '(1x,a)') '|   Site       Fractional Coordinate          Cartesian Coordinate (Bohr)    |'
         endif
         write (stdout, '(1x,a)') '+----------------------------------------------------------------------------+'
-        call utility_inverse_mat(real_lattice, inv_lattice)
         do nsp = 1, atom_data%num_species
           do nat = 1, atom_data%species_num(nsp)
             call utility_cart_to_frac(atom_data%pos_cart(:, nat, nsp), pos_frac, inv_lattice)
@@ -1842,9 +1833,10 @@ subroutine w90_wannier90_readwrite_write(atom_data, band_plot, dis_control, dis_
         write (stdout, '(1x,a)') '| Wannier#        Original Centres              Constrained centres          |'
         write (stdout, '(1x,a)') '+----------------------------------------------------------------------------+'
         do i = 1, wann_control%constrain%slwf_num
-!fixme JJ ccentres_frac is not available (only temporary read) cart is available in control or so
-!          write (stdout, '(1x,a1,2x,i3,2x,3F10.5,3x,a1,1x,3F10.5,4x,a1)') &
-!    &                    '|', i, w90_extra_io%ccentres_frac(i, :), '|', wannier_data%centres(:, i), '|'
+          call utility_cart_to_frac(wann_control%constrain%centres(i, :), ccentres_frac, inv_lattice)
+          ! note, this printout is in crystal coordinates; not sure why wannier_centres are printed here??
+          write (stdout, '(1x,a1,2x,i3,2x,3F10.5,3x,a1,1x,3F10.5,4x,a1)') &
+    &                    '|', i, ccentres_frac(:), '|', wannier_data%centres(:, i), '|'
         end do
         write (stdout, '(1x,a)') '*----------------------------------------------------------------------------*'
       end if
@@ -2099,11 +2091,9 @@ subroutine w90_wannier90_readwrite_write(atom_data, band_plot, dis_control, dis_
             write (stdout, '(1x,a46,10x,I8,13x,a1)') '|   Dimension of the system                  :', &
               real_space_ham%system_dim, '|'
             if (real_space_ham%system_dim .eq. 1) &
-              write (stdout, '(1x,a46,10x,a8,13x,a1)') '|   System extended in                       :', &
-              trim(w90_extra_io%one_dim_axis), '|'
+              write (stdout, '(1x,a46,10x,a8,13x,a1)') '|   System extended in                       :', one_dim_axis, '|'
             if (real_space_ham%system_dim .eq. 2) &
-              write (stdout, '(1x,a46,10x,a8,13x,a1)') '|   System confined in                       :', &
-              trim(w90_extra_io%one_dim_axis), '|'
+              write (stdout, '(1x,a46,10x,a8,13x,a1)') '|   System confined in                       :', one_dim_axis, '|'
             write (stdout, '(1x,a46,10x,F8.3,13x,a1)') '|   Hamiltonian cut-off value                :', &
               real_space_ham%hr_cutoff, '|'
             write (stdout, '(1x,a46,10x,F8.3,13x,a1)') '|   Hamiltonian cut-off distance             :', &
@@ -2147,9 +2137,8 @@ subroutine w90_wannier90_readwrite_write(atom_data, band_plot, dis_control, dis_
         endif
         !
       endif
-    endif !iprint > 0
+    endif !iprint > 0 and not (transport && read_ht)
 
-401 continue
     !
     ! Transport
     !
@@ -2166,8 +2155,8 @@ subroutine w90_wannier90_readwrite_write(atom_data, band_plot, dis_control, dis_
       else
         !
         write (stdout, '(1x,a46,10x,a8,13x,a1)') '|   Hamiltonian from external files          :', 'F', '|'
-        write (stdout, '(1x,a46,10x,a8,13x,a1)') '|   System extended in                       :', &
-          trim(w90_extra_io%one_dim_axis), '|'
+
+        write (stdout, '(1x,a46,10x,a8,13x,a1)') '|   System extended in                       :', one_dim_axis, '|'
         !
       end if
 
@@ -2196,8 +2185,8 @@ end subroutine w90_wannier90_readwrite_write
   subroutine w90_wannier90_readwrite_w90_dealloc(atom_data, band_plot, dis_spheres, dis_manifold, &
                                                  exclude_bands, kmesh_input, kpt_latt, &
                                                  wann_control, proj, proj_input, select_proj, &
-                                                 kpoint_path, wannier_data, wann_plot, &
-                                                 w90_extra_io, eigval, error, comm)
+                                                 kpoint_path, wannier_data, wann_plot, eigval, &
+                                                 error, comm)
     !================================================!
     use w90_error, only: w90_error_type
 
@@ -2213,7 +2202,6 @@ subroutine w90_wannier90_readwrite_w90_dealloc(atom_data, band_plot, dis_spheres
     type(atom_data_type), intent(inout) :: atom_data
     type(kpoint_path_type), intent(inout) :: kpoint_path
     type(select_projection_type), intent(inout) :: select_proj
-    type(w90_extra_io_type), intent(inout) :: w90_extra_io
     type(wannier_plot_type), intent(inout) :: wann_plot
     type(proj_type), allocatable, intent(inout) :: proj(:)
     type(proj_type), allocatable, intent(inout) :: proj_input(:)
@@ -2246,13 +2234,6 @@ subroutine w90_wannier90_readwrite_w90_dealloc(atom_data, band_plot, dis_spheres
         return
       endif
     endif
-    if (allocated(w90_extra_io%ccentres_frac)) then
-      deallocate (w90_extra_io%ccentres_frac, stat=ierr)
-      if (ierr /= 0) then
-        call set_error_dealloc(error, 'Error deallocating ccentres_frac in w90_wannier90_readwrite_w90_dealloc', comm)
-        return
-      endif
-    endif
     if (allocated(wann_control%guiding_centres%centres)) then
       deallocate (wann_control%guiding_centres%centres, stat=ierr)
       if (ierr /= 0) then
@@ -2389,8 +2370,9 @@ subroutine w90_wannier90_readwrite_write_chkpt(chkpt, exclude_bands, wannier_dat
   end subroutine w90_wannier90_readwrite_write_chkpt
 
   !================================================!
-  subroutine w90_wannier90_readwrite_memory_estimate(atom_data, kmesh_info, wann_control, proj_input, print_output, &
-                                                     num_bands, num_kpts, num_proj, num_wann, optimisation, &
+  subroutine w90_wannier90_readwrite_memory_estimate(atom_data, kmesh_info, wann_control, &
+                                                     proj_input, print_output, num_bands, &
+                                                     num_kpts, num_proj, num_wann, optimisation, &
                                                      gamma_only, stdout)
     !================================================!
     !
diff --git a/src/wannierise.F90 b/src/wannierise.F90
index 2a386aec..2f6b164c 100644
--- a/src/wannierise.F90
+++ b/src/wannierise.F90
@@ -470,7 +470,6 @@ subroutine wann_main(ham_logical, kmesh_info, kpt_latt, wann_control, omega, sit
     wannier_data%centres = rave
     wannier_data%spreads = r2ave - rave2
 
-    ! JJ checkme, where is lquad intitialised?  should it be persistent between invocations?
     if (wann_control%lfixstep) lquad = .false.
 
     ncg = 0
@@ -1742,11 +1741,16 @@ subroutine internal_new_u_and_m(cdq, cmtmp, tmp_cdq, cwork, rwork, evals, cwschu
         do nn = 1, kmesh_info%nntot
           nkp2 = kmesh_info%nnlist(nkp, nn)
           ! tmp_cdq = cdq^{dagger} . M
-          call utility_zgemm(tmp_cdq, cdq(:, :, nkp), 'C', m_matrix_loc(1:num_wann, 1:num_wann, nn, nkp_loc), 'N', &  !jj fixme
+
+          ! note: m_matrix_loc is dimensioned larger than block copied here
+          ! the striding used here likely incurs some overhead; ideally we should avoid it
+          ! Jerome Jackson Jun 24
+          call utility_zgemm(tmp_cdq, cdq(:, :, nkp), 'C', m_matrix_loc(1:num_wann, 1:num_wann, nn, nkp_loc), 'N', &
                              num_wann)
           ! cmtmp = tmp_cdq . cdq
           call utility_zgemm(cmtmp, tmp_cdq, 'N', cdq(:, :, nkp2), 'N', num_wann)
-          m_matrix_loc(1:num_wann, 1:num_wann, nn, nkp_loc) = cmtmp(:, :) !jj fixme
+          ! note striding
+          m_matrix_loc(1:num_wann, 1:num_wann, nn, nkp_loc) = cmtmp(:, :)
         enddo
       enddo
 
@@ -3068,9 +3072,8 @@ subroutine wann_main_gamma(kmesh_info, wann_control, omega, print_output, wannie
 !~    endif
     u0 = u_matrix
 
-!~    lguide = .false.
     ! guiding centres are not neede for orthorhombic systems
-    if (kmesh_info%nntot .eq. 3) wann_control%guiding_centres%enable = .false. ! fixme, this requires explanation...
+    if (kmesh_info%nntot .eq. 3) wann_control%guiding_centres%enable = .false.
 
     if (wann_control%guiding_centres%enable) then
       do n = 1, num_wann
@@ -3099,18 +3102,13 @@ subroutine wann_main_gamma(kmesh_info, wann_control, omega, print_output, wannie
       irguide = 1
     endif
 
-    !  weight m_matrix first to reduce number of operations
-    !  m_w : weighted real matrix
-    ! m_matrix is only avbl on root, but no mpi here
-    ! jj cleanup this documentation/notes
-    !if (on_root) then
+    ! weight m_matrix first to reduce number of operations
+    ! m_w : weighted real matrix
     do nn = 1, kmesh_info%nntot
       sqwb = sqrt(kmesh_info%wb(nn))
       m_w(:, :, 2*nn - 1) = sqwb*real(m_matrix(1:num_wann, 1:num_wann, nn, 1), dp)
       m_w(:, :, 2*nn) = sqwb*aimag(m_matrix(1:num_wann, 1:num_wann, nn, 1))
     end do
-    !endif
-    !call comms_bcast(m_w, num_wann*num_wann*tnntot, error, comm)
 
     ! calculate initial centers and spread
     call wann_omega_gamma(m_w, csheet, sheet, rave, r2ave, rave2, wann_spread, num_wann, &
@@ -3157,7 +3155,6 @@ subroutine wann_main_gamma(kmesh_info, wann_control, omega, print_output, wannie
     end do
 
     ! main iteration loop
-
     do iter = 1, wann_control%num_iter
 
       lprint = .false.
@@ -3170,17 +3167,6 @@ subroutine wann_main_gamma(kmesh_info, wann_control, omega, print_output, wannie
 
       if (lprint .and. print_output%iprint > 0) write (stdout, '(1x,a,i6)') 'Cycle: ', iter
 
-!~       ! initialize rguide as rave for use_bloch_phases
-!~       if ( (iter.gt.num_no_guide_iter) .and. lguide ) then
-!~          rguide(:,:) = rave(:,:)
-!~          lguide = .false.
-!~       endif
-!~       if ( guiding_centres.and.(iter.gt.num_no_guide_iter) &
-!~            .and.(mod(iter,num_guide_cycles).eq.0) ) then
-!~          if(nntot.gt.3) call wann_phases(csheet,sheet,rguide,irguide)
-!~          irguide=1
-!~       endif
-
       if (wann_control%guiding_centres%enable .and. &
           (iter .gt. wann_control%guiding_centres%num_no_guide_iter) &
           .and. (mod(iter, wann_control%guiding_centres%num_guide_cycles) .eq. 0)) then
@@ -3234,7 +3220,8 @@ subroutine wann_main_gamma(kmesh_info, wann_control, omega, print_output, wannie
       omega%total = wann_spread%om_tot
       omega%tilde = wann_spread%om_d + wann_spread%om_od
 
-!JJ      if (ldump) then
+! (Jerome Jackson) Removing checkpoint from WF optimisation loop because benefit is limited
+!      if (ldump) then
 !        uc_rot(:, :) = cmplx(ur_rot(:, :), 0.0_dp, dp)
 !        call utility_zgemm(u_matrix, u0, 'N', uc_rot, 'N', num_wann)
 !        call w90_wannier90_readwrite_write_chkpt('postdis', exclude_bands, wannier_data, &
@@ -3266,6 +3253,7 @@ subroutine wann_main_gamma(kmesh_info, wann_control, omega, print_output, wannie
       sqwb = 1.0_dp/sqrt(kmesh_info%wb(nn))
       m_matrix(1:num_wann, 1:num_wann, nn, 1) = sqwb*cmplx(m_w(:, :, 2*nn - 1), m_w(:, :, 2*nn), dp)
     end do
+
     ! update U
     uc_rot(:, :) = cmplx(ur_rot(:, :), 0.0_dp, dp)
     call utility_zgemm(u_matrix, u0, 'N', uc_rot, 'N', num_wann)
@@ -3288,12 +3276,6 @@ subroutine wann_main_gamma(kmesh_info, wann_control, omega, print_output, wannie
       '       Omega Total  = ', wann_spread%om_tot*print_output%lenconfac**2
     write (stdout, '(1x,a78)') repeat('-', 78)
 
-!    if (output_file%write_xyz) then
-!      call wann_write_xyz(translate_home_cell, num_wann, wannier_data%centres, &
-!                          real_lattice, atom_data, print_output, error, comm, stdout, seedname)
-!      if (allocated(error)) return
-!    endif
-
     if (wann_control%guiding_centres%enable) then
       call wann_phases(csheet, sheet, rguide, irguide, num_wann, kmesh_info, num_kpts, &
                        wann_control%use_ss_functional, m_matrix, rnkb, print_output%timing_level, &
@@ -3306,33 +3288,6 @@ subroutine wann_main_gamma(kmesh_info, wann_control, omega, print_output, wannie
                               print_output%iprint, stdout, timer, error, comm)
     if (allocated(error)) return
 
-    !JJ
-    ! write extra info regarding omega_invariant
-    !if (print_output%iprint > 2) then
-    !  call wann_svd_omega_i(num_wann, num_kpts, kmesh_info, m_matrix, print_output, timer, &
-    !                        error, comm, stdout)
-    !  if (allocated(error)) return
-    !endif
-    ! write matrix elements <m|r^2|n> to file
-    !if (output_file%write_r2mn) then
-    !  call wann_write_r2mn(num_kpts, num_wann, kmesh_info, m_matrix, error, comm, seedname)
-    !  if (allocated(error)) return
-    !endif
-
-    ! calculate and write projection of WFs on original bands in outer window
-    !if (have_disentangled .and. output_file%write_proj) then
-    !  call wann_calc_projection(num_bands, num_wann, num_kpts, u_matrix_opt, eigval, &
-    !                            dis_manifold%lwindow, print_output%timing_level, &
-    !                            print_output%iprint, stdout, timer)
-    !endif
-
-    ! aam: write data required for vdW utility
-    !if (output_file%write_vdw_data) then
-    !  call wann_write_vdw_data(num_wann, wannier_data, real_lattice, u_matrix, u_matrix_opt, &
-    !                           have_disentangled, w90_system, error, comm, stdout, seedname)
-    !  if (allocated(error)) return
-    !endif
-
     ! deallocate sub vars not passed into other subs
     deallocate (cz, stat=ierr)
     if (ierr /= 0) then
@@ -3409,11 +3364,8 @@ subroutine wann_main_gamma(kmesh_info, wann_control, omega, print_output, wannie
 
     return
 
-1000 format(2x, 'WF centre and spread', &
-&       i5, 2x, '(', f10.6, ',', f10.6, ',', f10.6, ' )', f15.8)
-
-1001 format(2x, 'Sum of centres and spreads', &
-&       1x, '(', f10.6, ',', f10.6, ',', f10.6, ' )', f15.8)
+1000 format(2x, 'WF centre and spread', i5, 2x, '(', f10.6, ',', f10.6, ',', f10.6, ' )', f15.8)
+1001 format(2x, 'Sum of centres and spreads', 1x, '(', f10.6, ',', f10.6, ',', f10.6, ' )', f15.8)
 
   contains