Index

A

add_vacuum() (in module twod_materials.utils)

align_c_axis_along_001() (in module twod_materials.utils)

C

contains_entry() (in module twod_materials.pourbaix.analysis)

F

find_dirac_nodes() (in module twod_materials.electronic_structure.analysis)

G

get_band_edges() (in module twod_materials.electronic_structure.analysis) get_basin_and_peak_locations() (in module twod_materials.friction.analysis) get_competing_phases() (in module twod_materials.stability.analysis) get_effective_mass() (in module twod_materials.electronic_structure.analysis) get_hull_distance() (in module twod_materials.stability.analysis) get_magmom_string() (in module twod_materials.utils)

get_markovian_path() (in module twod_materials.utils) get_mu_vs_F_N() (in module twod_materials.friction.analysis) get_rotation_matrix() (in module twod_materials.utils) get_spacing() (in module twod_materials.utils) get_status() (in module twod_materials.utils) get_structure_type() (in module twod_materials.utils)

I

inject_ions() (in module twod_materials.intercalation.startup)

is_converged() (in module twod_materials.utils)

P

plot_band_alignments() (in module twod_materials.electronic_structure.analysis) plot_band_structure() (in module twod_materials.electronic_structure.analysis) plot_color_projected_bands() (in module twod_materials.electronic_structure.analysis) plot_density_of_states() (in module twod_materials.electronic_structure.analysis) plot_elt_projected_bands() (in module twod_materials.electronic_structure.analysis) plot_friction_force() (in module twod_materials.friction.analysis) plot_gamma_surface() (in module twod_materials.friction.analysis)

plot_hull_distances() (in module twod_materials.stability.analysis) plot_ion_hull_and_voltages() (in module twod_materials.intercalation.analysis) plot_local_potential() (in module twod_materials.electronic_structure.analysis) plot_mu_vs_F_N() (in module twod_materials.friction.analysis) plot_normal_force() (in module twod_materials.friction.analysis) plot_orb_projected_bands() (in module twod_materials.electronic_structure.analysis) plot_pourbaix_diagram() (in module twod_materials.pourbaix.analysis) plot_spin_texture() (in module twod_materials.electronic_structure.analysis)

R

relax() (in module twod_materials.stability.startup) remove_z_kpoints() (in module twod_materials.utils) run_gamma_calculations() (in module twod_materials.friction.startup)

run_hse_calculation() (in module twod_materials.electronic_structure.startup) run_hse_prep_calculation() (in module twod_materials.electronic_structure.startup) run_normal_force_calculations() (in module twod_materials.friction.startup) run_pbe_calculation() (in module twod_materials.electronic_structure.startup)

T

twod_materials.electronic_structure.analysis (module) twod_materials.electronic_structure.startup (module) twod_materials.friction.analysis (module) twod_materials.friction.startup (module) twod_materials.intercalation.analysis (module)

twod_materials.intercalation.startup (module) twod_materials.pourbaix.analysis (module) twod_materials.pourbaix.startup (module) twod_materials.stability.analysis (module) twod_materials.stability.startup (module) twod_materials.utils (module)

W

write_circle_mesh_kpoints() (in module twod_materials.utils) write_pbs_runjob() (in module twod_materials.utils)

write_potcar() (in module twod_materials.utils) write_slurm_runjob() (in module twod_materials.utils)