Running Calculations

• dfttk.workflows
  • move_folders()
  • rename_error_folders()
  • process_error_folders()
  • merge_custodian_json_files()
  • custodian_errors_location()
  • NELM_reached()
  • SingleJobWorkflow
  • three_step_relaxation()
  • ev_curve_series()
  • run_phonons()
  • phonons_parallel()
  • process_phonon_dos_YPHON()
  • run_elec_dos()
  • elec_dos_parallel()
  • charge_density_difference()
  • kpoints_conv_test()
  • encut_conv_test()