Index A | B | C | D | E | F | G | H | I | J | K | L | M | N | O | P | Q | R | S | T | U | V | W A atoms (vasp.recipes.core.VaspResult attribute), [1] (vasp.recipes.phonons.PhononResult attribute), [1] (vasp.Vasp attribute) B band_gap (vasp.recipes.core.VaspResult attribute), [1] band_structure (vasp.recipes.phonons.PhononResult attribute), [1] bulk_to_slabs_flow() (in module vasp.recipes) (in module vasp.recipes.slabs) bulk_to_slabs_subflow() (in module vasp.recipes.slabs) C calculate() (vasp.runners.SocketServer method) (vasp.Vasp method), [1] calculate_surface_energy() (in module vasp.recipes.slabs) CalculationResult (class in vasp) cancel() (vasp.LocalRunner method) (vasp.MockRunner method) (vasp.Runner method) (vasp.runners.KubernetesRunner method) (vasp.runners.LocalRunner method), [1] (vasp.runners.MockRunner method), [1] (vasp.runners.Runner method), [1] (vasp.runners.SlurmRunner method) (vasp.Vasp method), [1] clone() (vasp.Vasp method), [1] close() (vasp.runners.InteractiveRunner method) (vasp.runners.SocketClient method) (vasp.runners.SocketServer method) COMPLETE (vasp.JobState attribute) (vasp.runners.JobState attribute) connect() (vasp.runners.SocketClient method) converged (vasp.recipes.core.VaspResult attribute) (vasp.runners.InteractiveResults attribute) (vasp.runners.MockResults attribute), [1] D default_parameters (vasp.Vasp attribute), [1] dfpt_phonon_job() (in module vasp.recipes.phonons) directory (vasp.recipes.core.VaspResult attribute), [1] (vasp.recipes.phonons.PhononResult attribute) dos (vasp.recipes.phonons.PhononResult attribute), [1] double_relax_flow() (in module vasp.recipes) (in module vasp.recipes.core) E eigenvalues (vasp.runners.MockResults attribute), [1] energy (vasp.CalculationResult attribute), [1] (vasp.recipes.core.VaspResult attribute), [1] (vasp.runners.InteractiveResults attribute) (vasp.runners.MockResults attribute), [1] error (vasp.CalculationResult attribute), [1] F FAILED (vasp.JobState attribute) (vasp.runners.JobState attribute) fermi_level (vasp.recipes.core.VaspResult attribute), [1] (vasp.runners.MockResults attribute), [1] flow() (in module vasp.recipes) force_constants (vasp.recipes.phonons.PhononResult attribute), [1] forces (vasp.CalculationResult attribute), [1] (vasp.recipes.core.VaspResult attribute), [1] (vasp.runners.InteractiveResults attribute) (vasp.runners.MockResults attribute), [1] (vasp.Vasp property), [1] frequencies (vasp.recipes.phonons.PhononResult attribute), [1] G get_bse_params() (in module vasp.parameters) get_forces() (vasp.Vasp method), [1] get_gw_params() (in module vasp.parameters) get_hybrid_params() (in module vasp.parameters), [1] get_ldau_params() (in module vasp.parameters), [1] get_logs() (vasp.Runner method) (vasp.runners.KubernetesRunner method) (vasp.runners.Runner method), [1] (vasp.runners.SlurmRunner method) get_md_params() (in module vasp.parameters) get_mlff_params() (in module vasp.parameters) get_optical_params() (in module vasp.parameters) get_optimal_nprocs() (in module vasp.runners) get_phonon_params() (in module vasp.parameters) get_phonopy_supercells() (in module vasp.recipes.phonons) get_potential_energy() (vasp.Vasp method), [1] get_preset() (in module vasp.parameters), [1] get_soc_params() (in module vasp.parameters), [1] get_stress() (vasp.Vasp method), [1] get_vdw_params() (in module vasp.parameters), [1] H host (vasp.runners.SocketConfig attribute) HubbardU (class in vasp.parameters), [1] I ibz_kpts (vasp.runners.MockResults attribute), [1] implemented_properties (vasp.Vasp attribute), [1] InteractiveResults (class in vasp.runners) InteractiveRunner (class in vasp.runners) is_active (vasp.JobStatus property) (vasp.runners.JobStatus property), [1] is_complete() (vasp.Vasp method), [1] is_done (vasp.JobStatus property) (vasp.runners.JobStatus property), [1] is_running (vasp.runners.InteractiveRunner property) is_success (vasp.JobStatus property) (vasp.runners.JobStatus property), [1] J j (vasp.parameters.HubbardU attribute), [1], [2], [3] job() (in module vasp.recipes) jobid (vasp.CalculationResult attribute), [1] (vasp.JobStatus attribute), [1] (vasp.runners.JobStatus attribute), [1], [2], [3] (vasp.VaspQueued attribute), [1] (vasp.VaspRunning attribute), [1] (vasp.VaspSubmitted attribute), [1] JobState (class in vasp) (class in vasp.runners) JobStatus (class in vasp) (class in vasp.runners), [1] K kpt_weights (vasp.runners.MockResults attribute), [1] KubernetesRunner (class in vasp.runners) L l_angular (vasp.parameters.HubbardU attribute), [1], [2], [3] layers (vasp.recipes.slabs.SlabResult attribute) lmlff (vasp.parameters.MLFFConfig attribute), [1] LocalRunner (class in vasp) (class in vasp.runners), [1] M magmom (vasp.runners.MockResults attribute), [1] magmoms (vasp.runners.MockResults attribute), [1] make_slabs_from_bulk() (in module vasp.recipes.slabs) mb (vasp.parameters.MLFFConfig attribute), [1] mb3 (vasp.parameters.MLFFConfig attribute), [1] message (vasp.JobStatus attribute), [1] (vasp.runners.JobStatus attribute), [1], [2], [3] (vasp.VaspQueued attribute), [1] (vasp.VaspRunning attribute), [1] (vasp.VaspSubmitted attribute), [1] metadata (vasp.JobStatus attribute), [1] (vasp.runners.JobStatus attribute), [1], [2], [3] (vasp.runners.MockResults attribute), [1] miller_indices (vasp.recipes.slabs.SlabResult attribute) MLFFConfig (class in vasp.parameters) MockResults (class in vasp.runners) MockRunner (class in vasp) (class in vasp.runners), [1] mode (vasp.parameters.MLFFConfig attribute), [1] module vasp vasp.parameters vasp.recipes vasp.recipes.core vasp.recipes.phonons vasp.recipes.slabs vasp.runners N name (vasp.Vasp attribute), [1] neb_images (vasp.Vasp attribute) NOT_STARTED (vasp.JobState attribute) (vasp.runners.JobState attribute) nsteps (vasp.recipes.core.VaspResult attribute) O occupations (vasp.runners.MockResults attribute), [1] P parameters (vasp.recipes.core.VaspResult attribute), [1] (vasp.Vasp attribute) phonon_displacement_job() (in module vasp.recipes.phonons) phonon_flow() (in module vasp.recipes) (in module vasp.recipes.phonons) phonon_forces_subflow() (in module vasp.recipes.phonons) PhononResult (class in vasp.recipes.phonons) phonopy (vasp.recipes.phonons.PhononResult attribute), [1] poll() (vasp.Vasp method), [1] port (vasp.runners.SocketConfig attribute) potential_energy (vasp.Vasp property), [1] Q QUEUED (vasp.JobState attribute) (vasp.runners.JobState attribute) R rcut1 (vasp.parameters.MLFFConfig attribute), [1] rcut2 (vasp.parameters.MLFFConfig attribute), [1] relax_and_static_flow() (in module vasp.recipes.core) relax_job() (in module vasp.recipes) (in module vasp.recipes.core) reset() (vasp.MockRunner method) (vasp.runners.MockRunner method), [1] resort (vasp.Vasp attribute) results (vasp.Vasp attribute) run() (vasp.LocalRunner method) (vasp.MockRunner method) (vasp.Runner method) (vasp.runners.InteractiveRunner method) (vasp.runners.KubernetesRunner method) (vasp.runners.LocalRunner method), [1] (vasp.runners.MockRunner method), [1] (vasp.runners.Runner method), [1] (vasp.runners.SlurmRunner method) (vasp.runners.SocketClient method) run_async() (vasp.Vasp method), [1] Runner (class in vasp) (class in vasp.runners), [1] RUNNING (vasp.JobState attribute) (vasp.runners.JobState attribute) S set() (vasp.Vasp method), [1] set_nbands() (vasp.Vasp method), [1] slab_relax_job() (in module vasp.recipes) (in module vasp.recipes.slabs) slab_static_job() (in module vasp.recipes) (in module vasp.recipes.slabs) SlabResult (class in vasp.recipes.slabs) SlurmRunner (class in vasp.runners) SocketClient (class in vasp.runners) SocketConfig (class in vasp.runners) SocketServer (class in vasp.runners) sort (vasp.Vasp attribute) start() (vasp.runners.InteractiveRunner method) (vasp.runners.SocketServer method) state (vasp.CalculationResult attribute), [1] (vasp.JobStatus attribute), [1] (vasp.runners.JobStatus attribute), [1], [2], [3] static_from_relax_job() (in module vasp.recipes.core) static_job() (in module vasp.recipes) (in module vasp.recipes.core) status() (vasp.LocalRunner method) (vasp.MockRunner method) (vasp.Runner method) (vasp.runners.InteractiveRunner method) (vasp.runners.KubernetesRunner method) (vasp.runners.LocalRunner method), [1] (vasp.runners.MockRunner method), [1] (vasp.runners.Runner method), [1] (vasp.runners.SlurmRunner method) step() (vasp.runners.InteractiveRunner method) stop_if() (vasp.Vasp method), [1] stress (vasp.CalculationResult attribute), [1] (vasp.recipes.core.VaspResult attribute), [1] (vasp.runners.InteractiveResults attribute) (vasp.runners.MockResults attribute), [1] (vasp.Vasp property), [1] subflow() (in module vasp.recipes) submit() (vasp.Vasp method), [1] SUBMITTED (vasp.JobState attribute) (vasp.runners.JobState attribute) supercell_matrix (vasp.recipes.phonons.PhononResult attribute) surface_energy (vasp.recipes.slabs.SlabResult attribute) T thermal (vasp.recipes.phonons.PhononResult attribute), [1] timeout (vasp.runners.SocketConfig attribute) U u (vasp.parameters.HubbardU attribute), [1], [2], [3] unix_socket (vasp.runners.SocketConfig attribute) UNKNOWN (vasp.JobState attribute) (vasp.runners.JobState attribute) update() (vasp.Vasp method), [1] V vasp module Vasp (class in vasp), [1] vasp.parameters module vasp.recipes module vasp.recipes.core module vasp.recipes.phonons module vasp.recipes.slabs module vasp.runners module VaspEmptyOutput VaspError, [1] VaspException, [1] VaspNotConverged, [1] VaspNotFinished, [1] VaspQueued, [1] VaspResult (class in vasp.recipes.core) VaspRunning, [1] VaspSetupError VaspSubmitted, [1] VaspWarning W wait() (vasp.Runner method) (vasp.runners.Runner method), [1] wait_for_client() (vasp.runners.SocketServer method) work_function (vasp.recipes.slabs.SlabResult attribute) wtifor (vasp.parameters.MLFFConfig attribute), [1] wtoten (vasp.parameters.MLFFConfig attribute), [1] wtsif (vasp.parameters.MLFFConfig attribute), [1]