diff --git a/src/postw90/berry.F90 b/src/postw90/berry.F90 index 622ee00de..6c36db7da 100644 --- a/src/postw90/berry.F90 +++ b/src/postw90/berry.F90 @@ -423,7 +423,7 @@ subroutine berry_main(pw90_berry, dis_manifold, fermi_energy_list, kmesh_info, k num_valence_bands, effective_model, have_disentangled, seedname, stdout, & timer, error, comm) if (allocated(error)) return - kdotp_nbands = size(pw90_berry%kdotp_bands); + kdotp_nbands = size(pw90_berry%kdotp_bands) allocate (kdotp(kdotp_nbands, kdotp_nbands, 3, 3, 3)) kdotp = cmplx_0 endif @@ -1874,7 +1874,7 @@ subroutine berry_get_imfgh_klist(dis_manifold, fermi_energy_list, kpt_latt, ws_r call utility_zgemm_new(tmp(:, :, 1), f_list(:, :, ife), tmp(:, :, 4)) call utility_zgemm_new(tmp(:, :, 4), AA(:, :, beta_A(i)), tmp(:, :, 5)) - s = 2.0_dp*utility_im_tr_prod(f_list(:, :, ife), tmp(:, :, 5)); + s = 2.0_dp*utility_im_tr_prod(f_list(:, :, ife), tmp(:, :, 5)) img_k_list(1, i, ife) = utility_re_tr_prod(f_list(:, :, ife), tmp(:, :, 2)) - s imh_k_list(1, i, ife) = utility_re_tr_prod(f_list(:, :, ife), tmp(:, :, 3)) + s diff --git a/src/postw90/kpath.F90 b/src/postw90/kpath.F90 index 6f306d61e..77e0a7eba 100644 --- a/src/postw90/kpath.F90 +++ b/src/postw90/kpath.F90 @@ -269,7 +269,7 @@ subroutine k_path(pw90_berry, dis_manifold, fermi_energy_list, kmesh_info, pw90_ if (allocated(error)) return ! Partition set of k-points into junks -! call comms_array_split(total_pts, counts, displs); +! call comms_array_split(total_pts, counts, displs) call comms_array_split(total_pts, counts, displs, comm) !kpt_lo = displs(my_node_id)+1 !kpt_hi = displs(my_node_id)+counts(my_node_id) diff --git a/src/postw90/kslice.F90 b/src/postw90/kslice.F90 index 78dca05d2..340bd4ccb 100644 --- a/src/postw90/kslice.F90 +++ b/src/postw90/kslice.F90 @@ -292,7 +292,7 @@ subroutine k_slice(pw90_berry, dis_manifold, fermi_energy_list, kmesh_info, kpt_ nkpts = (pw90_kslice%kmesh2d(1) + 1)*(pw90_kslice%kmesh2d(2) + 1) ! Partition set of k-points into junks - call comms_array_split(nkpts, counts, displs, comm); + call comms_array_split(nkpts, counts, displs, comm) my_nkpts = counts(my_node_id) allocate (my_coords(2, my_nkpts)) diff --git a/src/postw90/spin.F90 b/src/postw90/spin.F90 index 98a750e7c..99ff0e0a2 100644 --- a/src/postw90/spin.F90 +++ b/src/postw90/spin.F90 @@ -102,8 +102,8 @@ subroutine spin_get_moment(dis_manifold, fermi_energy_list, kpoint_dist, kpt_lat integer :: my_node_id, num_nodes - my_node_id = mpirank(comm); - num_nodes = mpisize(comm); + my_node_id = mpirank(comm) + num_nodes = mpisize(comm) fermi_n = 0 if (allocated(fermi_energy_list)) fermi_n = size(fermi_energy_list) if (fermi_n > 1) then diff --git a/src/wannier_lib.F90 b/src/wannier_lib.F90 index d70982c6b..eb5d92900 100644 --- a/src/wannier_lib.F90 +++ b/src/wannier_lib.F90 @@ -551,8 +551,8 @@ subroutine wannier_run(seed__name, mp_grid_loc, num_kpts_loc, real_lattice_loc, my_node_id = 0 #endif - allocate (counts(0:num_nodes - 1)); - allocate (displs(0:num_nodes - 1)); + allocate (counts(0:num_nodes - 1)) + allocate (displs(0:num_nodes - 1)) time0 = io_time() seedname = trim(adjustl(seed__name)) diff --git a/src/wannierise.F90 b/src/wannierise.F90 index 6c2bd4d85..a37d60999 100644 --- a/src/wannierise.F90 +++ b/src/wannierise.F90 @@ -444,7 +444,9 @@ subroutine wann_main(atom_data, dis_manifold, exclude_bands, ham_logical, kmesh_ endif cwschur1 = cmplx_0; cwschur2 = cmplx_0; cwschur3 = cmplx_0; cwschur4 = cmplx_0 - cdq = cmplx_0; cz = cmplx_0; cmtmp = cmplx_0; cdqkeep_loc = cmplx_0; cdq_loc = cmplx_0; + cdq = cmplx_0; cz = cmplx_0; cmtmp = cmplx_0; cdqkeep_loc = cmplx_0; cdq_loc = cmplx_0 + ! buff=cmplx_0 + gcnorm1 = 0.0_dp; gcnorm0 = 0.0_dp ! initialise rguide to projection centres (Cartesians in units of Ang)