scripts/cif_cod_check: tests/cases/cif_cod_check_105.inp data_missing: WARNING, data item '_tcod_atom_sites_sim_cell_tran_matrix_11' is present, but data items ['_tcod_atom_sites_sim_cell_tran_matrix_12', '_tcod_atom_sites_sim_cell_tran_matrix_13', '_tcod_atom_sites_sim_cell_tran_matrix_21', '_tcod_atom_sites_sim_cell_tran_matrix_22', '_tcod_atom_sites_sim_cell_tran_matrix_23', '_tcod_atom_sites_sim_cell_tran_matrix_31', '_tcod_atom_sites_sim_cell_tran_matrix_32', '_tcod_atom_sites_sim_cell_tran_matrix_33'] are absent.
scripts/cif_cod_check: tests/cases/cif_cod_check_105.inp data_missing: WARNING, data item '_tcod_atom_sites_sim_cell_tran_vector_1' is present, but data items ['_tcod_atom_sites_sim_cell_tran_vector_2', '_tcod_atom_sites_sim_cell_tran_vector_3'] are absent.
scripts/cif_cod_check: tests/cases/cif_cod_check_105.inp data_missing: WARNING, data item '_tcod_atom_site_initial_fract_x' is present, but data items ['_tcod_atom_site_initial_fract_y', '_tcod_atom_site_initial_fract_z'] are absent.
scripts/cif_cod_check: tests/cases/cif_cod_check_105.inp data_missing: WARNING, data item '_tcod_atom_site_initial_Cartn_x' is present, but data item ['_tcod_atom_site_initial_Cartn_z'] is absent.
scripts/cif_cod_check: tests/cases/cif_cod_check_105.inp data_missing: WARNING, data item '_tcod_atom_site_resid_force_Cartn_x' is present, but data items ['_tcod_atom_site_resid_force_Cartn_y', '_tcod_atom_site_resid_force_Cartn_z'] are absent.
scripts/cif_cod_check: tests/cases/cif_cod_check_105.inp data_missing: WARNING, data item '_tcod_atom_site_resid_force_fract_x' is present, but data items ['_tcod_atom_site_resid_force_fract_y', '_tcod_atom_site_resid_force_fract_z'] are absent.
scripts/cif_cod_check: tests/cases/cif_cod_check_105.inp data_missing: WARNING, data item '_tcod_atom_site_resid_force_dir_cos_x' is present, but data items ['_tcod_atom_site_resid_force_dir_cos_y', '_tcod_atom_site_resid_force_dir_cos_z'] are absent.
scripts/cif_cod_check: tests/cases/cif_cod_check_105.inp data_missing: WARNING, data item '_dft_BZ_integration_grid_X' is present, but data item ['_dft_BZ_integration_grid_Z'] is absent.
scripts/cif_cod_check: tests/cases/cif_cod_check_105.inp data_missing: WARNING, data item '_dft_BZ_integration_grid_dens_X' is present, but data item ['_dft_BZ_integration_grid_dens_Z'] is absent.
scripts/cif_cod_check: tests/cases/cif_cod_check_105.inp data_missing: WARNING, data item '_dft_BZ_integration_grid_shift_X' is present, but data item ['_dft_BZ_integration_grid_shift_Z'] is absent.
scripts/cif_cod_check: tests/cases/cif_cod_check_105.inp data_missing: WARNING, data item '_dft_cell_periodic_BC_X' is present, but data item ['_dft_cell_periodic_BC_Z'] is absent.
scripts/cif_cod_check: tests/cases/cif_cod_check_105.inp: NOTE, 11 WARNING(s) encountered.
