======== Tutorial ======== Running verification workflows for a given pseudopotential. The complete verification workflow contain a delta factor calculation, a band structure calculation and convergence tests for cohesive energy, phonon frequencies, bands distance and residual pressure. The required inputs of the verification workflows are ``pw_code`` for ``quantumespresso.pw`` code node, ``ph_code`` for ``quantumespresso.ph`` code node and ``pseudo`` for a ``UpfData`` node which can be imported by:: verdi data upf import The delta factor workflow and four convergence workflow are also included in the ``aiida.workflow`` entry point. Their minimal required inputs are the same the codes and the pseudopotential upf node. Except for pressure convergence workflow which need Birch-Murnaghan fit result the V0, B0, B1 as an additional required input to calculate the residual pressure(TODO: link to the definition). The others common optional inputs for convergence workflows are 1) the list of energy cutoff of wavefunction ``ecutwfc_list`` 2) the list energy cutoff of charge density ``ecutrho_list`` 3) ``ref_cutoff_pair`` which set the wavefunction cutoff and density charge cutoff used as the reference quantum-espresso pw.x inputs. The outputs of every subworkflow are included as specific output namespace of the verification workflow. If all subworkflows are running successful and all the convergence are reached within the pre-setting energy cutoff list the outputs would be the following:: Outputs PK Type --------------------------------- ----- --------- band_structure seekpath_band_structure scf_parameters 27250 Dict band_parameters 27372 Dict band_structure 27370 BandsData scf_parameters 26971 Dict band_parameters 27039 Dict band_structure 27037 BandsData nbands_factor 27410 Float convergence_bands output_pseudo_header 26862 Dict output_convergence_parameters 27505 Dict xy_data_ecutwfc 27506 XyData xy_data_ecutrho 27507 XyData output_parameters 27508 Dict convergence_cohesive_energy output_pseudo_header 27813 Dict output_convergence_parameters 28112 Dict xy_data_ecutwfc 28113 XyData xy_data_ecutrho 28114 XyData output_parameters 28115 Dict convergence_phonon_frequencies output_pseudo_header 26860 Dict output_convergence_parameters 27805 Dict xy_data_ecutwfc 27806 XyData xy_data_ecutrho 27807 XyData output_parameters 27808 Dict convergence_pressure output_pseudo_header 27815 Dict output_convergence_parameters 28108 Dict xy_data_ecutwfc 28109 XyData xy_data_ecutrho 28110 XyData output_parameters 28111 Dict delta_factor output_pseudo_header 26858 Dict output_eos_parameters 27143 Dict output_birch_murnaghan_fit 27242 Dict output_parameters 27208 Dict Otherwise, if some of the convergence workflow not converged, the ``output_convergence_parameters`` will not been given. Or if some subworkflow not finished ok with exit code 0, you will not see its outputs in the output namespace of verification workflow.