Index

B

Band (class in analysis)

C

Cannot_Search_Point_Group (class in error)

check_match_argument() (core.PostArgument method) check_user_argument() (core.PreArgument method)

D

DOS (class in analysis)

E

eval_phonon() (core.PostProcess method)

explicit_reciprocal() (in module util.k_points)

F

find_point_group_index() (util.symmetry.Symmetry2D method)

G

gamma_centered() (in module util.k_points)

gen_additional_displacement() (util.symmetry.Symmetry2D method) get_atomic_weight() (in module util.atomic_weight)

I

initialization() (core.PreArgument method) (core.UnitCell method)

Insufficient_ENLARGE_Error (class in error) Insufficient_PBC_Error (class in error) Invalid_Line_Kpath_Error (class in error)

L

line_path() (in module util.k_points)

M

Mismatch_ENLARGE_and_PBC_Error (class in error) Mismatch_ENLARGE_post_Error (class in error) Mismatch_Kpath_and_PBC_Error (class in error) Mode (class in analysis) module util.atomic_weight util.k_points util.linear_tetrahedron_method util.symmetry

monkhorst_pack() (in module util.k_points)

N

Not_Specified_Kpath_Error (class in error)

P

plot() (analysis.Band method) (analysis.DOS method) (analysis.Mode method) (analysis.ThermalProperty method)

plot_with_dos() (analysis.Band method) PostArgument (class in core) PostProcess (class in core) PreArgument (class in core) PreProcess (class in core)

R

read_input_lines() (in module inout.aims) (in module inout.espresso) (in module inout.vasp)

read_output_lines() (in module inout.aims) (in module inout.espresso) (in module inout.vasp) read_unit_cell() (core.UnitCell method)

S

search_cell_image_index() (util.symmetry.Symmetry2D method) search_image_atom() (util.symmetry.Symmetry2D method) search_independent_displacement() (util.symmetry.Symmetry2D method) search_point_group() (util.symmetry.Symmetry2D method) search_self_image_atom() (util.symmetry.Symmetry2D method) set() (analysis.Band method) (analysis.DOS method) (analysis.Mode method) (analysis.ThermalProperty method) set_force_constant() (core.PostProcess method) set_k_points() (core.PostProcess method)

set_mass_true() (core.UnitCell method) set_reciprocal_lattice() (core.PostProcess method) set_super_cell() (core.PreProcess method) (core.SuperCell method) set_super_ind_true() (core.SuperCell method) set_unit_cell() (core.PreProcess method) set_user_arg() (core.PostProcess method) (core.PreProcess method) set_user_argument() (core.PreArgument method) SuperCell (class in core) Symmetry2D (class in util.symmetry)

T

tetrahedron_1d() (in module util.linear_tetrahedron_method) tetrahedron_2d() (in module util.linear_tetrahedron_method)

tetrahedron_3d() (in module util.linear_tetrahedron_method) Thermal_Imaginary_Frequency (class in error) ThermalProperty (class in analysis)

U

UnitCell (class in core) util.atomic_weight module util.k_points module

util.linear_tetrahedron_method module util.symmetry module

W

write() (analysis.Band method) (analysis.DOS method) (analysis.Mode method) (analysis.ThermalProperty method) write_displace_cell() (core.PreProcess method)

write_input_lines() (in module inout.aims) (in module inout.espresso) (in module inout.vasp) write_mode_displace() (analysis.Mode method) write_unit_cell() (core.UnitCell method)