dfttk

• dfttk package
  • Submodules
  • dfttk.eos_fit module
    • BM4()
    • BM4_derivative()
    • BM4_derivative2()
    • BM4_eos_parameters()
    • BM4_equation()
    • BM5()
    • BM5_derivative()
    • BM5_derivative2()
    • BM5_eos_parameters()
    • BM5_equation()
    • LOG4()
    • LOG4_derivative()
    • LOG4_derivative2()
    • LOG4_eos_parameters()
    • LOG4_equation()
    • LOG5()
    • LOG5_derivative()
    • LOG5_derivative2()
    • LOG5_eos_parameters()
    • LOG5_equation()
    • assign_colors_to_configs()
    • assign_marker_symbols_to_configs()
    • fit_to_all_eos()
    • mBM4()
    • mBM4_derivative()
    • mBM4_derivative2()
    • mBM4_eos_parameters()
    • mBM4_equation()
    • mBM5()
    • mBM5_derivative()
    • mBM5_derivative2()
    • mBM5_eos_parameters()
    • mBM5_equation()
    • morse()
    • morse_derivative()
    • morse_equation()
    • murnaghan()
    • murnaghan_derivative()
    • murnaghan_equation()
    • plot_config_energy()
    • plot_energy_difference()
    • plot_energy_histogram()
    • plot_ev()
    • plot_mv()
    • vinet()
    • vinet_derivative()
    • vinet_equation()
  • dfttk.workflows module
    • NELM_reached()
    • charge_density_difference()
    • custodian_errors_location()
    • elec_dos_parallel()
    • encut_conv_test()
    • ev_curve_series()
    • kpoints_conv_test()
    • merge_custodian_json_files()
    • move_folders()
    • phonons_parallel()
    • process_error_folders()
    • process_phonon_dos_YPHON()
    • rename_error_folders()
    • run_elec_dos()
    • run_phonons()
    • three_step_relaxation()
  • Module contents