w90_input_setopt Subroutine

public subroutine w90_input_setopt(common_data, seedname, istdout, istderr, ierr)

Uses

  • proc~~w90_input_setopt~~UsesGraph proc~w90_input_setopt w90_input_setopt module~w90_comms w90_comms proc~w90_input_setopt->module~w90_comms module~w90_error w90_error proc~w90_input_setopt->module~w90_error module~w90_error_base w90_error_base proc~w90_input_setopt->module~w90_error_base module~w90_overlap w90_overlap proc~w90_input_setopt->module~w90_overlap module~w90_readwrite w90_readwrite proc~w90_input_setopt->module~w90_readwrite module~w90_wannier90_readwrite w90_wannier90_readwrite proc~w90_input_setopt->module~w90_wannier90_readwrite module~w90_comms->module~w90_error_base module~w90_constants w90_constants module~w90_comms->module~w90_constants module~w90_error->module~w90_comms module~w90_error->module~w90_error_base module~w90_overlap->module~w90_comms module~w90_overlap->module~w90_constants module~w90_readwrite->module~w90_comms module~w90_readwrite->module~w90_constants module~w90_types w90_types module~w90_readwrite->module~w90_types module~w90_wannier90_readwrite->module~w90_error module~w90_wannier90_readwrite->module~w90_readwrite module~w90_wannier90_readwrite->module~w90_constants module~w90_wannier90_readwrite->module~w90_types module~w90_wannier90_types w90_wannier90_types module~w90_wannier90_readwrite->module~w90_wannier90_types module~w90_types->module~w90_constants module~w90_wannier90_types->module~w90_constants

mechanism to act upon options supplied to the library input is parsed and interpreted (any errors are identified) and the library data structure (variable common_data) is populated ready for use

Arguments

Type IntentOptional Attributes Name
type(lib_common_type), intent(inout) :: common_data

instance of library data object, modified here
character(len=*), intent(in) :: seedname
integer, intent(in) :: istdout
integer, intent(in) :: istderr
integer, intent(out) :: ierr

Calls

proc~~w90_input_setopt~~CallsGraph proc~w90_input_setopt w90_input_setopt proc~mpirank mpirank proc~w90_input_setopt->proc~mpirank proc~prterr prterr proc~w90_input_setopt->proc~prterr proc~set_error_alloc set_error_alloc proc~w90_input_setopt->proc~set_error_alloc proc~set_error_fatal set_error_fatal proc~w90_input_setopt->proc~set_error_fatal proc~valid_communicator valid_communicator proc~w90_input_setopt->proc~valid_communicator proc~w90_readwrite_write_win w90_readwrite_write_win proc~w90_input_setopt->proc~w90_readwrite_write_win proc~w90_wannier90_readwrite_read w90_wannier90_readwrite_read proc~w90_input_setopt->proc~w90_wannier90_readwrite_read proc~w90_wannier90_readwrite_read_special w90_wannier90_readwrite_read_special proc~w90_input_setopt->proc~w90_wannier90_readwrite_read_special proc~prterr->proc~mpirank interface~comms_no_sync_bcast comms_no_sync_bcast proc~prterr->interface~comms_no_sync_bcast interface~comms_no_sync_recv comms_no_sync_recv proc~prterr->interface~comms_no_sync_recv interface~comms_no_sync_send comms_no_sync_send proc~prterr->interface~comms_no_sync_send proc~mpisize mpisize proc~prterr->proc~mpisize proc~comms_sync_error comms_sync_error proc~set_error_alloc->proc~comms_sync_error proc~set_base_error set_base_error proc~set_error_alloc->proc~set_base_error proc~set_error_fatal->proc~comms_sync_error proc~set_error_fatal->proc~set_base_error proc~w90_readwrite_write_win->proc~set_error_fatal proc~set_error_input set_error_input proc~w90_wannier90_readwrite_read->proc~set_error_input proc~w90_readwrite_read_algorithm_control w90_readwrite_read_algorithm_control proc~w90_wannier90_readwrite_read->proc~w90_readwrite_read_algorithm_control proc~w90_readwrite_read_dis_manifold w90_readwrite_read_dis_manifold proc~w90_wannier90_readwrite_read->proc~w90_readwrite_read_dis_manifold proc~w90_readwrite_read_explicit_kpath w90_readwrite_read_explicit_kpath proc~w90_wannier90_readwrite_read->proc~w90_readwrite_read_explicit_kpath proc~w90_readwrite_read_fermi_energy w90_readwrite_read_fermi_energy proc~w90_wannier90_readwrite_read->proc~w90_readwrite_read_fermi_energy proc~w90_readwrite_read_gamma_only w90_readwrite_read_gamma_only proc~w90_wannier90_readwrite_read->proc~w90_readwrite_read_gamma_only proc~w90_readwrite_read_kpath w90_readwrite_read_kpath proc~w90_wannier90_readwrite_read->proc~w90_readwrite_read_kpath proc~w90_readwrite_read_units w90_readwrite_read_units proc~w90_wannier90_readwrite_read->proc~w90_readwrite_read_units proc~w90_readwrite_read_verbosity w90_readwrite_read_verbosity proc~w90_wannier90_readwrite_read->proc~w90_readwrite_read_verbosity proc~w90_readwrite_read_ws_data w90_readwrite_read_ws_data proc~w90_wannier90_readwrite_read->proc~w90_readwrite_read_ws_data proc~w90_wannier90_readwrite_read_band_plot w90_wannier90_readwrite_read_band_plot proc~w90_wannier90_readwrite_read->proc~w90_wannier90_readwrite_read_band_plot proc~w90_wannier90_readwrite_read_bloch_phase w90_wannier90_readwrite_read_bloch_phase proc~w90_wannier90_readwrite_read->proc~w90_wannier90_readwrite_read_bloch_phase proc~w90_wannier90_readwrite_read_constrained_centres w90_wannier90_readwrite_read_constrained_centres proc~w90_wannier90_readwrite_read->proc~w90_wannier90_readwrite_read_constrained_centres proc~w90_wannier90_readwrite_read_disentangle w90_wannier90_readwrite_read_disentangle proc~w90_wannier90_readwrite_read->proc~w90_wannier90_readwrite_read_disentangle proc~w90_wannier90_readwrite_read_dist_cutoff w90_wannier90_readwrite_read_dist_cutoff proc~w90_wannier90_readwrite_read->proc~w90_wannier90_readwrite_read_dist_cutoff proc~w90_wannier90_readwrite_read_fermi_surface w90_wannier90_readwrite_read_fermi_surface proc~w90_wannier90_readwrite_read->proc~w90_wannier90_readwrite_read_fermi_surface proc~w90_wannier90_readwrite_read_hamil w90_wannier90_readwrite_read_hamil proc~w90_wannier90_readwrite_read->proc~w90_wannier90_readwrite_read_hamil proc~w90_wannier90_readwrite_read_one_dim w90_wannier90_readwrite_read_one_dim proc~w90_wannier90_readwrite_read->proc~w90_wannier90_readwrite_read_one_dim proc~w90_wannier90_readwrite_read_outfiles w90_wannier90_readwrite_read_outfiles proc~w90_wannier90_readwrite_read->proc~w90_wannier90_readwrite_read_outfiles proc~w90_wannier90_readwrite_read_plot_info w90_wannier90_readwrite_read_plot_info proc~w90_wannier90_readwrite_read->proc~w90_wannier90_readwrite_read_plot_info proc~w90_wannier90_readwrite_read_post_proc w90_wannier90_readwrite_read_post_proc proc~w90_wannier90_readwrite_read->proc~w90_wannier90_readwrite_read_post_proc proc~w90_wannier90_readwrite_read_restart w90_wannier90_readwrite_read_restart proc~w90_wannier90_readwrite_read->proc~w90_wannier90_readwrite_read_restart proc~w90_wannier90_readwrite_read_sym w90_wannier90_readwrite_read_sym proc~w90_wannier90_readwrite_read->proc~w90_wannier90_readwrite_read_sym proc~w90_wannier90_readwrite_read_transport w90_wannier90_readwrite_read_transport proc~w90_wannier90_readwrite_read->proc~w90_wannier90_readwrite_read_transport proc~w90_wannier90_readwrite_read_w90_calcs w90_wannier90_readwrite_read_w90_calcs proc~w90_wannier90_readwrite_read->proc~w90_wannier90_readwrite_read_w90_calcs proc~w90_wannier90_readwrite_read_wann_plot w90_wannier90_readwrite_read_wann_plot proc~w90_wannier90_readwrite_read->proc~w90_wannier90_readwrite_read_wann_plot proc~w90_wannier90_readwrite_read_wannierise w90_wannier90_readwrite_read_wannierise proc~w90_wannier90_readwrite_read->proc~w90_wannier90_readwrite_read_wannierise proc~w90_wannier90_readwrite_read_special->proc~set_error_alloc proc~utility_inverse_mat utility_inverse_mat proc~w90_wannier90_readwrite_read_special->proc~utility_inverse_mat proc~w90_readwrite_read_atoms w90_readwrite_read_atoms proc~w90_wannier90_readwrite_read_special->proc~w90_readwrite_read_atoms proc~w90_readwrite_read_distk w90_readwrite_read_distk proc~w90_wannier90_readwrite_read_special->proc~w90_readwrite_read_distk proc~w90_readwrite_read_exclude_bands w90_readwrite_read_exclude_bands proc~w90_wannier90_readwrite_read_special->proc~w90_readwrite_read_exclude_bands proc~w90_readwrite_read_kmesh_data w90_readwrite_read_kmesh_data proc~w90_wannier90_readwrite_read_special->proc~w90_readwrite_read_kmesh_data proc~w90_readwrite_read_kpoints w90_readwrite_read_kpoints proc~w90_wannier90_readwrite_read_special->proc~w90_readwrite_read_kpoints proc~w90_readwrite_read_lattice w90_readwrite_read_lattice proc~w90_wannier90_readwrite_read_special->proc~w90_readwrite_read_lattice proc~w90_readwrite_read_mp_grid w90_readwrite_read_mp_grid proc~w90_wannier90_readwrite_read_special->proc~w90_readwrite_read_mp_grid proc~w90_readwrite_read_num_bands w90_readwrite_read_num_bands proc~w90_wannier90_readwrite_read_special->proc~w90_readwrite_read_num_bands proc~w90_readwrite_read_num_wann w90_readwrite_read_num_wann proc~w90_wannier90_readwrite_read_special->proc~w90_readwrite_read_num_wann proc~w90_readwrite_read_system w90_readwrite_read_system proc~w90_wannier90_readwrite_read_special->proc~w90_readwrite_read_system proc~w90_readwrite_read_total_bands w90_readwrite_read_total_bands proc~w90_wannier90_readwrite_read_special->proc~w90_readwrite_read_total_bands proc~w90_wannier90_readwrite_read_explicit_kpts w90_wannier90_readwrite_read_explicit_kpts proc~w90_wannier90_readwrite_read_special->proc~w90_wannier90_readwrite_read_explicit_kpts proc~w90_wannier90_readwrite_read_projections w90_wannier90_readwrite_read_projections proc~w90_wannier90_readwrite_read_special->proc~w90_wannier90_readwrite_read_projections proc~comms_no_sync_bcast_char comms_no_sync_bcast_char interface~comms_no_sync_bcast->proc~comms_no_sync_bcast_char proc~comms_no_sync_bcast_cmplx comms_no_sync_bcast_cmplx interface~comms_no_sync_bcast->proc~comms_no_sync_bcast_cmplx proc~comms_no_sync_bcast_int comms_no_sync_bcast_int interface~comms_no_sync_bcast->proc~comms_no_sync_bcast_int proc~comms_no_sync_bcast_logical comms_no_sync_bcast_logical interface~comms_no_sync_bcast->proc~comms_no_sync_bcast_logical proc~comms_no_sync_bcast_real comms_no_sync_bcast_real interface~comms_no_sync_bcast->proc~comms_no_sync_bcast_real proc~comms_no_sync_recv_char comms_no_sync_recv_char interface~comms_no_sync_recv->proc~comms_no_sync_recv_char proc~comms_no_sync_recv_cmplx comms_no_sync_recv_cmplx interface~comms_no_sync_recv->proc~comms_no_sync_recv_cmplx proc~comms_no_sync_recv_int comms_no_sync_recv_int interface~comms_no_sync_recv->proc~comms_no_sync_recv_int proc~comms_no_sync_recv_logical comms_no_sync_recv_logical interface~comms_no_sync_recv->proc~comms_no_sync_recv_logical proc~comms_no_sync_recv_real comms_no_sync_recv_real interface~comms_no_sync_recv->proc~comms_no_sync_recv_real proc~comms_no_sync_send_char comms_no_sync_send_char interface~comms_no_sync_send->proc~comms_no_sync_send_char proc~comms_no_sync_send_cmplx comms_no_sync_send_cmplx interface~comms_no_sync_send->proc~comms_no_sync_send_cmplx proc~comms_no_sync_send_int comms_no_sync_send_int interface~comms_no_sync_send->proc~comms_no_sync_send_int proc~comms_no_sync_send_logical comms_no_sync_send_logical interface~comms_no_sync_send->proc~comms_no_sync_send_logical proc~comms_no_sync_send_real comms_no_sync_send_real interface~comms_no_sync_send->proc~comms_no_sync_send_real proc~set_error_input->proc~comms_sync_error proc~set_error_input->proc~set_base_error proc~utility_inv3 utility_inv3 proc~utility_inverse_mat->proc~utility_inv3 proc~w90_readwrite_get_keyword w90_readwrite_get_keyword proc~w90_readwrite_read_algorithm_control->proc~w90_readwrite_get_keyword proc~w90_readwrite_read_atoms->proc~set_error_alloc proc~w90_readwrite_read_atoms->proc~set_error_input proc~readwrite_get_atoms readwrite_get_atoms proc~w90_readwrite_read_atoms->proc~readwrite_get_atoms proc~set_error_dealloc set_error_dealloc proc~w90_readwrite_read_atoms->proc~set_error_dealloc proc~utility_cart_to_frac utility_cart_to_frac proc~w90_readwrite_read_atoms->proc~utility_cart_to_frac proc~w90_readwrite_get_block_length w90_readwrite_get_block_length proc~w90_readwrite_read_atoms->proc~w90_readwrite_get_block_length proc~w90_readwrite_get_keyword_vector w90_readwrite_get_keyword_vector proc~w90_readwrite_read_atoms->proc~w90_readwrite_get_keyword_vector proc~w90_readwrite_get_vector_length w90_readwrite_get_vector_length proc~w90_readwrite_read_atoms->proc~w90_readwrite_get_vector_length proc~w90_readwrite_set_atoms w90_readwrite_set_atoms proc~w90_readwrite_read_atoms->proc~w90_readwrite_set_atoms proc~w90_readwrite_read_dis_manifold->proc~set_error_input proc~w90_readwrite_read_dis_manifold->proc~w90_readwrite_get_keyword proc~w90_readwrite_read_distk->proc~mpirank proc~w90_readwrite_read_distk->proc~set_error_alloc proc~w90_readwrite_read_distk->proc~set_error_fatal proc~w90_readwrite_read_distk->proc~mpisize proc~w90_readwrite_read_distk->proc~set_error_input proc~w90_readwrite_get_range_vector w90_readwrite_get_range_vector proc~w90_readwrite_read_distk->proc~w90_readwrite_get_range_vector proc~w90_readwrite_read_exclude_bands->proc~set_error_alloc proc~w90_readwrite_read_exclude_bands->proc~set_error_input proc~w90_readwrite_read_exclude_bands->proc~w90_readwrite_get_range_vector proc~w90_readwrite_read_explicit_kpath->proc~set_error_alloc proc~w90_readwrite_read_explicit_kpath->proc~set_error_dealloc proc~w90_readwrite_read_explicit_kpath->proc~w90_readwrite_get_block_length proc~w90_readwrite_get_keyword_explicit_kpath w90_readwrite_get_keyword_explicit_kpath proc~w90_readwrite_read_explicit_kpath->proc~w90_readwrite_get_keyword_explicit_kpath proc~w90_readwrite_read_explicit_kpath_points w90_readwrite_read_explicit_kpath_points proc~w90_readwrite_read_explicit_kpath->proc~w90_readwrite_read_explicit_kpath_points proc~w90_readwrite_read_fermi_energy->proc~set_error_alloc proc~w90_readwrite_read_fermi_energy->proc~set_error_input proc~w90_readwrite_read_fermi_energy->proc~w90_readwrite_get_keyword proc~w90_readwrite_read_gamma_only->proc~set_error_input proc~w90_readwrite_read_gamma_only->proc~w90_readwrite_get_keyword proc~w90_readwrite_read_kmesh_data->proc~set_error_alloc proc~w90_readwrite_read_kmesh_data->proc~set_error_input proc~w90_readwrite_read_kmesh_data->proc~w90_readwrite_get_keyword proc~w90_readwrite_read_kmesh_data->proc~w90_readwrite_get_range_vector proc~w90_readwrite_read_kpath->proc~set_error_alloc proc~w90_readwrite_read_kpath->proc~set_error_input proc~w90_readwrite_read_kpath->proc~set_error_dealloc proc~w90_readwrite_read_kpath->proc~w90_readwrite_get_block_length proc~w90_readwrite_read_kpath->proc~w90_readwrite_get_keyword proc~w90_readwrite_get_keyword_kpath w90_readwrite_get_keyword_kpath proc~w90_readwrite_read_kpath->proc~w90_readwrite_get_keyword_kpath proc~w90_readwrite_read_kpoints->proc~set_error_alloc proc~w90_readwrite_read_kpoints->proc~set_error_dealloc proc~w90_readwrite_get_keyword_block w90_readwrite_get_keyword_block proc~w90_readwrite_read_kpoints->proc~w90_readwrite_get_keyword_block proc~w90_readwrite_read_lattice->proc~set_error_input proc~w90_readwrite_read_lattice->proc~w90_readwrite_get_keyword_block proc~w90_readwrite_read_mp_grid->proc~set_error_input proc~w90_readwrite_read_mp_grid->proc~w90_readwrite_get_keyword_vector proc~w90_readwrite_read_num_bands->proc~set_error_input proc~w90_readwrite_read_num_bands->proc~w90_readwrite_get_keyword proc~w90_readwrite_read_num_wann->proc~set_error_input proc~w90_readwrite_read_num_wann->proc~w90_readwrite_get_keyword proc~w90_readwrite_read_system->proc~set_error_input proc~w90_readwrite_read_system->proc~w90_readwrite_get_keyword proc~w90_readwrite_read_total_bands->proc~w90_readwrite_get_keyword proc~w90_readwrite_read_units->proc~set_error_input proc~w90_readwrite_read_units->proc~w90_readwrite_get_keyword proc~w90_readwrite_read_verbosity->proc~mpirank proc~w90_readwrite_read_verbosity->proc~w90_readwrite_get_keyword proc~w90_readwrite_read_ws_data->proc~set_error_input proc~w90_readwrite_read_ws_data->proc~w90_readwrite_get_keyword proc~w90_readwrite_read_ws_data->proc~w90_readwrite_get_keyword_vector proc~w90_readwrite_read_ws_data->proc~w90_readwrite_get_vector_length proc~w90_wannier90_readwrite_read_band_plot->proc~set_error_alloc proc~w90_wannier90_readwrite_read_band_plot->proc~set_error_input proc~w90_wannier90_readwrite_read_band_plot->proc~set_error_dealloc proc~w90_wannier90_readwrite_read_band_plot->proc~w90_readwrite_get_keyword proc~w90_wannier90_readwrite_read_band_plot->proc~w90_readwrite_get_range_vector proc~w90_wannier90_readwrite_read_bloch_phase->proc~set_error_input proc~w90_wannier90_readwrite_read_bloch_phase->proc~w90_readwrite_get_keyword proc~w90_wannier90_readwrite_read_constrained_centres->proc~set_error_input proc~w90_wannier90_readwrite_read_constrained_centres->proc~w90_readwrite_get_block_length proc~w90_readwrite_get_centre_constraints w90_readwrite_get_centre_constraints proc~w90_wannier90_readwrite_read_constrained_centres->proc~w90_readwrite_get_centre_constraints proc~w90_wannier90_readwrite_read_disentangle->proc~set_error_alloc proc~w90_wannier90_readwrite_read_disentangle->proc~set_error_input proc~w90_wannier90_readwrite_read_disentangle->proc~w90_readwrite_get_keyword proc~w90_wannier90_readwrite_read_disentangle->proc~w90_readwrite_get_keyword_block proc~w90_wannier90_readwrite_read_dist_cutoff->proc~set_error_input proc~w90_wannier90_readwrite_read_dist_cutoff->proc~w90_readwrite_get_keyword proc~w90_wannier90_readwrite_read_explicit_kpts->proc~set_error_alloc proc~w90_wannier90_readwrite_read_explicit_kpts->proc~set_error_input proc~w90_wannier90_readwrite_read_explicit_kpts->proc~set_error_dealloc proc~w90_wannier90_readwrite_read_explicit_kpts->proc~w90_readwrite_get_block_length proc~w90_wannier90_readwrite_read_explicit_kpts->proc~w90_readwrite_get_keyword_block proc~w90_wannier90_readwrite_read_fermi_surface->proc~set_error_input proc~w90_wannier90_readwrite_read_fermi_surface->proc~w90_readwrite_get_keyword proc~w90_wannier90_readwrite_read_hamil->proc~w90_readwrite_get_keyword proc~w90_wannier90_readwrite_read_hamil->proc~w90_readwrite_get_keyword_vector proc~w90_wannier90_readwrite_read_one_dim->proc~set_error_input proc~w90_wannier90_readwrite_read_one_dim->proc~w90_readwrite_get_keyword proc~w90_wannier90_readwrite_read_outfiles->proc~set_error_input proc~w90_wannier90_readwrite_read_outfiles->proc~w90_readwrite_get_keyword proc~w90_wannier90_readwrite_read_plot_info->proc~set_error_input proc~w90_wannier90_readwrite_read_plot_info->proc~w90_readwrite_get_keyword proc~w90_wannier90_readwrite_read_post_proc->proc~w90_readwrite_get_keyword proc~w90_wannier90_readwrite_read_projections->proc~set_error_alloc proc~w90_wannier90_readwrite_read_projections->proc~set_error_input proc~w90_wannier90_readwrite_read_projections->proc~set_error_dealloc proc~w90_wannier90_readwrite_read_projections->proc~w90_readwrite_get_block_length proc~w90_wannier90_readwrite_read_projections->proc~w90_readwrite_get_keyword proc~w90_readwrite_get_projections w90_readwrite_get_projections proc~w90_wannier90_readwrite_read_projections->proc~w90_readwrite_get_projections proc~w90_wannier90_readwrite_read_projections->proc~w90_readwrite_get_range_vector proc~w90_wannier90_readwrite_read_restart->proc~set_error_input proc~set_error_file set_error_file proc~w90_wannier90_readwrite_read_restart->proc~set_error_file proc~w90_wannier90_readwrite_read_restart->proc~w90_readwrite_get_keyword proc~w90_wannier90_readwrite_read_sym->proc~w90_readwrite_get_keyword proc~w90_wannier90_readwrite_read_transport->proc~set_error_input proc~w90_wannier90_readwrite_read_transport->proc~w90_readwrite_get_keyword proc~w90_wannier90_readwrite_read_w90_calcs->proc~w90_readwrite_get_keyword proc~w90_wannier90_readwrite_read_wann_plot->proc~set_error_alloc proc~w90_wannier90_readwrite_read_wann_plot->proc~set_error_input proc~w90_wannier90_readwrite_read_wann_plot->proc~set_error_dealloc proc~w90_wannier90_readwrite_read_wann_plot->proc~w90_readwrite_get_keyword proc~w90_wannier90_readwrite_read_wann_plot->proc~w90_readwrite_get_keyword_vector proc~w90_wannier90_readwrite_read_wann_plot->proc~w90_readwrite_get_range_vector proc~w90_wannier90_readwrite_read_wann_plot->proc~w90_readwrite_get_vector_length proc~w90_wannier90_readwrite_read_wannierise->proc~set_error_alloc proc~w90_wannier90_readwrite_read_wannierise->proc~set_error_input proc~w90_wannier90_readwrite_read_wannierise->proc~w90_readwrite_get_keyword proc~readwrite_get_atoms->proc~set_error_alloc proc~readwrite_get_atoms->proc~set_error_input proc~readwrite_get_atoms->proc~utility_inverse_mat proc~readwrite_get_atoms->proc~utility_cart_to_frac proc~readwrite_get_atoms->proc~w90_readwrite_get_block_length proc~utility_frac_to_cart utility_frac_to_cart proc~readwrite_get_atoms->proc~utility_frac_to_cart proc~set_error_dealloc->proc~comms_sync_error proc~set_error_dealloc->proc~set_base_error proc~set_error_file->proc~comms_sync_error proc~set_error_file->proc~set_base_error proc~w90_readwrite_get_block_length->proc~set_error_input proc~w90_readwrite_get_centre_constraints->proc~set_error_alloc proc~w90_readwrite_get_centre_constraints->proc~set_error_input proc~w90_readwrite_get_centre_constraints->proc~set_error_dealloc proc~get_centre_constraint_from_column get_centre_constraint_from_column proc~w90_readwrite_get_centre_constraints->proc~get_centre_constraint_from_column proc~w90_readwrite_get_centre_constraints->proc~utility_frac_to_cart proc~w90_readwrite_get_keyword->proc~set_error_fatal proc~w90_readwrite_get_keyword->proc~set_error_input proc~w90_readwrite_get_keyword_block->proc~set_error_fatal proc~w90_readwrite_get_keyword_block->proc~set_error_input proc~w90_readwrite_get_keyword_explicit_kpath->proc~set_error_input proc~w90_readwrite_get_keyword_kpath->proc~set_error_input proc~w90_readwrite_get_keyword_vector->proc~set_error_fatal proc~w90_readwrite_get_keyword_vector->proc~set_error_input proc~w90_readwrite_get_projections->proc~set_error_alloc proc~w90_readwrite_get_projections->proc~set_error_input proc~w90_readwrite_get_projections->proc~utility_cart_to_frac proc~utility_string_to_coord utility_string_to_coord proc~w90_readwrite_get_projections->proc~utility_string_to_coord proc~utility_strip utility_strip proc~w90_readwrite_get_projections->proc~utility_strip proc~w90_readwrite_get_range_vector->proc~set_error_input proc~w90_readwrite_get_range_vector->proc~w90_readwrite_get_keyword_vector proc~w90_readwrite_get_range_vector->proc~w90_readwrite_get_vector_length proc~w90_readwrite_get_vector_length->proc~set_error_fatal proc~w90_readwrite_get_vector_length->proc~set_error_input proc~w90_readwrite_read_explicit_kpath_points->proc~set_error_alloc proc~w90_readwrite_read_explicit_kpath_points->proc~set_error_input proc~w90_readwrite_read_explicit_kpath_points->proc~set_error_dealloc proc~w90_readwrite_read_explicit_kpath_points->proc~w90_readwrite_get_block_length proc~w90_readwrite_read_explicit_kpath_points->proc~w90_readwrite_get_keyword_block proc~w90_readwrite_set_atoms->proc~set_error_alloc proc~utility_lowercase utility_lowercase proc~w90_readwrite_set_atoms->proc~utility_lowercase proc~get_centre_constraint_from_column->proc~set_error_input proc~utility_string_to_coord->proc~set_error_input

Called by

proc~~w90_input_setopt~~CalledByGraph proc~w90_input_setopt w90_input_setopt proc~w90_input_setopt_f w90_input_setopt_f proc~w90_input_setopt_f->proc~w90_input_setopt

Source Code

  subroutine w90_input_setopt(common_data, seedname, istdout, istderr, ierr)
    !! mechanism to act upon options supplied to the library
    !! input is parsed and interpreted (any errors are identified) and
    !! the library data structure (variable common_data) is populated ready for use

    ! w90_input_setopt() processes options stored in common_data%settings
    ! w90_input_reader() processes options stored in common_data%in_data (from .win file, should be empty here)

#ifdef W90_MPI08
    use mpi_f08
#endif
#ifdef W90_MPI90
    use mpi
#endif

    use w90_error_base, only: w90_error_type
    use w90_error, only: set_error_alloc, set_error_fatal, code_mpi
    use w90_comms, only: w90_comm_type, valid_communicator, mpisize, mpirank
    use w90_readwrite, only: w90_readwrite_write_win
    use w90_wannier90_readwrite, only: w90_wannier90_readwrite_read, &
                                       w90_wannier90_readwrite_read_special
    use w90_overlap, only: overlap_write

    implicit none

#ifdef W90_MPIH
    include 'mpif.h'
#endif

    ! arguments
    character(len=*), intent(in) :: seedname
    integer, intent(in) :: istdout, istderr
    integer, intent(out) :: ierr
    type(lib_common_type), intent(inout) :: common_data
    !! instance of library data object, modified here

    ! local variables
    type(w90_error_type), allocatable :: error
    logical :: cp_pp

    ierr = 0

    if (.not. valid_communicator(common_data%comm)) then ! when MPI is not defined, valid_communicator returns true (see comms.F90)
      ! this is a problem: how do we exit using the parallel error handler when the communicator is unknown?
      write (istderr, *) ' Error: parallel Wannier90 library invoked with invalid communicator, exiting.  Use w90_set_comm()!'
      ierr = code_mpi
      return
    end if

    if (allocated(common_data%settings%in_data)) then
      call set_error_fatal(error, &
                           ' Error: w90_read_input() and w90_set_option() clash at w90_input_setopt() call', common_data%comm)
      call prterr(error, ierr, istdout, istderr, common_data%comm)
      return
    else if (.not. allocated(common_data%settings%entries)) then
      call set_error_fatal(error, ' Error: w90_input_setopt() called with no input set', common_data%comm)
      call prterr(error, ierr, istdout, istderr, common_data%comm)
      return
      !else if (.not. allocated(common_data%dist_kpoints)) then
      !  call set_error_fatal(error, ' input_setopt called but distk unallocated', common_data%comm)
      !  call prterr(error, ierr, istdout, istderr, common_data%comm)
      !  return
    end if

    common_data%seedname = seedname ! set seedname for input/output files

    ! read_special can only be executed once per library object
    ! it sets key variables (eg, number of k-points sizing allocations, etc)
    call w90_wannier90_readwrite_read_special(common_data%settings, common_data%atom_data, &
                                              common_data%kmesh_input, common_data%kmesh_info, &
                                              common_data%kpt_latt, common_data%wann_control, &
                                              common_data%proj, common_data%proj_input, &
                                              common_data%select_proj, common_data%w90_system, &
                                              common_data%w90_calculation, &
                                              common_data%real_lattice, common_data%physics%bohr, &
                                              common_data%mp_grid, common_data%num_bands, &
                                              common_data%exclude_bands, &
                                              common_data%num_kpts, common_data%num_proj, &
                                              common_data%num_wann, common_data%gamma_only, &
                                              common_data%lhasproj, &
                                              common_data%use_bloch_phases, &
                                              common_data%dist_kpoints, istdout, error, &
                                              common_data%comm)
    if (allocated(error)) then
      call prterr(error, ierr, istdout, istderr, common_data%comm)
      return
    end if

    ! condition for disentanglement is number of bands > number of WF
    if (common_data%num_bands > common_data%num_wann) then
      allocate (common_data%dis_manifold%ndimwin(common_data%num_kpts), stat=ierr)
      if (ierr /= 0) then
        call set_error_alloc(error, 'Error allocating ndimwin in w90_input_setopt() library call', common_data%comm)
        call prterr(error, ierr, istdout, istderr, common_data%comm)
        return
      end if
      allocate (common_data%dis_manifold%nfirstwin(common_data%num_kpts), stat=ierr)
      if (ierr /= 0) then
        call set_error_alloc(error, 'Error allocating nfirstwin in w90_input_setopt() library call', common_data%comm)
        call prterr(error, ierr, istdout, istderr, common_data%comm)
        return
      end if
      allocate (common_data%dis_manifold%lwindow(common_data%num_bands, common_data%num_kpts), stat=ierr)
      if (ierr /= 0) then
        call set_error_alloc(error, 'Error allocating lwindow in w90_input_setopt() library call', common_data%comm)
        call prterr(error, ierr, istdout, istderr, common_data%comm)
        return
      end if
    end if

    allocate (common_data%wannier_data%centres(3, common_data%num_wann), stat=ierr)
    if (ierr /= 0) then
      call set_error_alloc(error, 'Error allocating wannier_centres in w90_input_setopt() library call', common_data%comm)
      call prterr(error, ierr, istdout, istderr, common_data%comm)
      return
    end if
    common_data%wannier_data%centres = 0.0_dp

    allocate (common_data%wannier_data%spreads(common_data%num_wann), stat=ierr)
    if (ierr /= 0) then
      call set_error_alloc(error, 'Error in allocating wannier_spreads in w90_input_setopt() library call', common_data%comm)
      call prterr(error, ierr, istdout, istderr, common_data%comm)
      return
    end if
    common_data%wannier_data%spreads = 0.0_dp

    ! read all other variables; mostly simple variables can be set and/or reset
    call w90_wannier90_readwrite_read(common_data%settings, common_data%band_plot, &
                                      common_data%dis_control, common_data%dis_spheres, &
                                      common_data%dis_manifold, common_data%fermi_energy_list, &
                                      common_data%fermi_surface_data, common_data%output_file, &
                                      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, &
                                      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, &
                                      common_data%num_kpts, common_data%num_wann, &
                                      common_data%optimisation, common_data%calc_only_A, cp_pp, &
                                      common_data%gamma_only, common_data%lsitesymmetry, &
                                      common_data%use_bloch_phases, common_data%seedname, istdout, &
                                      error, common_data%comm)
    if (allocated(error)) then
      call prterr(error, ierr, istdout, istderr, common_data%comm)
      return
    end if

    if (common_data%output_file%write_win_ammats) then
      if (mpirank(common_data%comm) == 0) then
        call w90_readwrite_write_win(common_data%settings, seedname, error, common_data%comm)
      end if
      if (allocated(error)) then
        call prterr(error, ierr, istdout, istderr, common_data%comm)
        return
      end if
    end if

    ! clear settings container (from settings interface not .win file)
    deallocate (common_data%settings%entries, stat=ierr)
    if (ierr /= 0) then
      call set_error_alloc(error, 'Error in deallocating entries data in w90_input_setopt() library call', common_data%comm)
      call prterr(error, ierr, istdout, istderr, common_data%comm)
      return
    end if
  end subroutine w90_input_setopt