Index

_

__call__() (wannierberri.calculators.static.StaticCalculator method) (wannierberri.smoother.AbstractSmoother method) __init__() (wannierberri.calculators.static.StaticCalculator method) (wannierberri.smoother.AbstractSmoother method) (wannierberri.w90files.Wannier90data method)

_broaden() (wannierberri.smoother.AbstractSmoother method) _Data_K (class in wannierberri.data_K) _files (wannierberri.w90files.Wannier90data attribute) _NKFFT_recommended (wannierberri.system.System_w90 attribute) _params (wannierberri.smoother.AbstractSmoother property) _XX_R (wannierberri.system.System_R attribute)

A

AbstractSmoother (class in wannierberri.smoother) additive (wannierberri.formula.covariant.Der2Morb property) (wannierberri.formula.covariant.Der2Morb_H property) (wannierberri.formula.covariant.DerMorb property) (wannierberri.formula.covariant.DerMorb_H property) (wannierberri.formula.covariant.Morb_H property) (wannierberri.formula.covariant.Morb_Hpm property) (wannierberri.formula.covariant_basic.tildeHab property) (wannierberri.formula.covariant_basic.tildeHab_d property) (wannierberri.formula.covariant_basic.tildeHGab property) (wannierberri.formula.covariant_basic.tildeHGab_d property) (wannierberri.formula.covariant_basic.tildeHGc property) (wannierberri.formula.covariant_basic.tildeHGc_d property)

AHC (class in wannierberri.calculators.static) AHC_test (class in wannierberri.calculators.static) AHC_Zeeman_orb (class in wannierberri.calculators.static) AHC_Zeeman_spin (class in wannierberri.calculators.static) allow_grid (wannierberri.calculators.tabulate.TabulatorAll property) allow_path (wannierberri.calculators.tabulate.TabulatorAll property) AMN (class in wannierberri.w90files) AntiSymmetric (class in wannierberri.formula.covariant_basic)

B

BerryCurvature (class in wannierberri.calculators.tabulate) BerryDipole_FermiSea (class in wannierberri.calculators.static)

BerryDipole_FermiSea_test (class in wannierberri.calculators.static) BerryDipole_FermiSurf (class in wannierberri.calculators.static)

C

Calculator (class in wannierberri.calculators) check_basis_symmetry() (wannierberri.symmetry.Group method) CheckPoint (class in wannierberri.w90files) CheckPoint_bare (class in wannierberri.w90files)

Chiral() (in module wannierberri.models) chk (wannierberri.w90files.Wannier90data attribute) cRvec (wannierberri.system.System_w90 attribute) CumDOS (class in wannierberri.calculators.static)

D

data (wannierberri.w90files.AMN attribute) (wannierberri.w90files.MMN attribute) Data_K_k (class in wannierberri.data_K) Data_K_R (class in wannierberri.data_K) Dcov (class in wannierberri.formula.covariant) DEinv_ln (class in wannierberri.formula.covariant) Der2A (class in wannierberri.formula.covariant) Der2B (class in wannierberri.formula.covariant) Der2BerryCurvature (class in wannierberri.calculators.tabulate) Der2Dcov (class in wannierberri.formula.covariant) Der2H (class in wannierberri.formula.covariant) Der2Morb (class in wannierberri.formula.covariant) Der2morb (class in wannierberri.formula.covariant) Der2Morb_H (class in wannierberri.formula.covariant) Der2O (class in wannierberri.formula.covariant) Der2Omega (class in wannierberri.formula.covariant) Der2OrbitalMoment (class in wannierberri.calculators.tabulate) Der2Spin (class in wannierberri.calculators.tabulate) (class in wannierberri.formula.covariant)

Der3E (class in wannierberri.calculators.tabulate) (class in wannierberri.formula.covariant) Der_morb (class in wannierberri.formula.covariant_basic) DerBerryCurvature (class in wannierberri.calculators.tabulate) DerDcov (class in wannierberri.formula.covariant) DerMorb (class in wannierberri.formula.covariant) Dermorb (class in wannierberri.formula.covariant) DerMorb_H (class in wannierberri.formula.covariant) DerOmega (class in wannierberri.formula.covariant) DerOrbitalMoment (class in wannierberri.calculators.tabulate) DerOrbitalMoment_test (class in wannierberri.calculators.tabulate) DerSpin (class in wannierberri.calculators.tabulate) (class in wannierberri.formula.covariant) DerWln (class in wannierberri.formula.covariant) disentangle() (wannierberri.w90files.Wannier90data method) (wannierberri.wannierise method) DOS (class in wannierberri.calculators.static) DynamicCalculator (class in wannierberri.calculators.dynamic)

E

Eavln (class in wannierberri.formula.covariant) eMChA_FermiSurf (class in wannierberri.calculators.static) emcha_surf (class in wannierberri.formula.covariant)

Energy (class in wannierberri.calculators.tabulate) energy_factor() (wannierberri.calculators.dynamic.JDOS method) EnergyResult (class in wannierberri.result) evaluate_k() (in module wannierberri)

F

factor_Efermi() (wannierberri.calculators.dynamic.SDCT_asym_surf_I method) (wannierberri.calculators.dynamic.SDCT_asym_surf_II method) (wannierberri.calculators.dynamic.SDCT_sym_surf_I method) (wannierberri.calculators.dynamic.SDCT_sym_surf_II method) factor_omega() (wannierberri.calculators.dynamic.InjectionCurrent method) (wannierberri.calculators.dynamic.MultitermCalculator method) (wannierberri.calculators.dynamic.OpticalConductivity method) (wannierberri.calculators.dynamic.SDCT_asym_sea_I method) (wannierberri.calculators.dynamic.SDCT_asym_sea_II method) (wannierberri.calculators.dynamic.SDCT_asym_surf_I method) (wannierberri.calculators.dynamic.SDCT_asym_surf_II method) (wannierberri.calculators.dynamic.SDCT_sym_sea_I method) (wannierberri.calculators.dynamic.SDCT_sym_sea_II method) (wannierberri.calculators.dynamic.SDCT_sym_surf_I method) (wannierberri.calculators.dynamic.SDCT_sym_surf_II method) (wannierberri.calculators.dynamic.SHC method) (wannierberri.calculators.dynamic.ShiftCurrent method)

FermiDiracSmoother (class in wannierberri.smoother) formatted_list (wannierberri.w90files.Wannier90data attribute) Formula_dyn_ident (class in wannierberri.calculators.dynamic) Formula_ln (class in wannierberri.formula) Formula_OptCond (class in wannierberri.calculators.dynamic) Formula_SDCT_asym_sea_I (class in wannierberri.calculators.dynamic) Formula_SDCT_asym_sea_II (class in wannierberri.calculators.dynamic) Formula_SDCT_asym_surf_I (class in wannierberri.calculators.dynamic) Formula_SDCT_asym_surf_II (class in wannierberri.calculators.dynamic) Formula_SDCT_sym_sea_I (class in wannierberri.calculators.dynamic) Formula_SDCT_sym_sea_II (class in wannierberri.calculators.dynamic) Formula_SDCT_sym_surf_I (class in wannierberri.calculators.dynamic) Formula_SDCT_sym_surf_II (class in wannierberri.calculators.dynamic) Formula_SHC (class in wannierberri.calculators.dynamic) FormulaProduct (class in wannierberri.formula) from_w90_file() (wannierberri.w90files.AMN method) (wannierberri.w90files.MMN method) (wannierberri.w90files.SPN method)

G

G (wannierberri.w90files.MMN attribute) GaussianSmoother (class in wannierberri.smoother) gen_symmetric_tensor() (wannierberri.symmetry.Group method) get_AA_q() (wannierberri.w90files.CheckPoint method) get_AA_qb() (wannierberri.w90files.CheckPoint method) get_AABB_qb() (wannierberri.w90files.CheckPoint method) get_atoms() (wannierberri.w90files.WIN method) get_BB_qb() (wannierberri.w90files.CheckPoint method) get_CC_qb() (wannierberri.w90files.CheckPoint method) get_CCOOGG_qb() (wannierberri.w90files.CheckPoint method) get_disentangled() (wannierberri.w90files.AMN method) (wannierberri.w90files.MMN method) (wannierberri.w90files.Wannier90data method) get_GG_qb() (wannierberri.w90files.CheckPoint method) get_HH_q() (wannierberri.w90files.CheckPoint method) get_kpoints() (wannierberri.w90files.WIN method)

get_OO_qb() (wannierberri.w90files.CheckPoint method) get_projections() (wannierberri.w90files.WIN method) get_SH_q() (wannierberri.w90files.CheckPoint method) get_SHA_q() (wannierberri.w90files.CheckPoint method) get_SHR_q() (wannierberri.w90files.CheckPoint method) get_smoother() (in module wannierberri.smoother) get_SS_q() (wannierberri.w90files.CheckPoint method) get_symmetric_components() (wannierberri.symmetry.Group method) get_unit_cell_cart_ang() (wannierberri.w90files.WIN method) get_wannier_centers() (wannierberri.w90files.CheckPoint method) GME_orb_FermiSea (class in wannierberri.calculators.static) GME_orb_FermiSea_test (class in wannierberri.calculators.static) GME_orb_FermiSurf (class in wannierberri.calculators.static) GME_spin_FermiSea (class in wannierberri.calculators.static) GME_spin_FermiSurf (class in wannierberri.calculators.static) Grid (class in wannierberri) Group (class in wannierberri.symmetry)

H

Haldane_ptb() (in module wannierberri.models) Haldane_tbm() (in module wannierberri.models)

Hall_classic_FermiSea (class in wannierberri.calculators.static) Hall_classic_FermiSurf (class in wannierberri.calculators.static) Hamiltonian (class in wannierberri.formula.covariant)

I

Identity (class in wannierberri.formula.covariant) InjectionCurrent (class in wannierberri.calculators.dynamic) InjectionCurrentFormula (class in wannierberri.calculators.dynamic) Inv (wannierberri.symmetry.Symmetry attribute)

InvMass (class in wannierberri.calculators.tabulate) (class in wannierberri.formula.covariant) iR0 (wannierberri.system.System_R attribute) iRvec (wannierberri.system.System_R attribute) (wannierberri.system.System_w90 attribute)

J

JDOS (class in wannierberri.calculators.dynamic)

K

KBandResult (class in wannierberri.result)

L

ln() (wannierberri.formula.covariant.Der2A method) (wannierberri.formula.covariant.Der2B method) (wannierberri.formula.covariant.Der2Dcov method) (wannierberri.formula.covariant.Der2H method) (wannierberri.formula.covariant.Der2Morb method) (wannierberri.formula.covariant.Der2Morb_H method) (wannierberri.formula.covariant.Der2O method) (wannierberri.formula.covariant.Der2Omega method) (wannierberri.formula.covariant.Der2Spin method) (wannierberri.formula.covariant.Der3E method) (wannierberri.formula.covariant.DerDcov method) (wannierberri.formula.covariant.DerMorb method) (wannierberri.formula.covariant.DerMorb_H method) (wannierberri.formula.covariant.DerOmega method) (wannierberri.formula.covariant.Identity method) (wannierberri.formula.covariant.Morb_H method) (wannierberri.formula.covariant.Morb_Hpm method) (wannierberri.formula.covariant.Omega method) (wannierberri.formula.covariant.SpinOmega method) (wannierberri.formula.covariant_basic.AntiSymmetric method) (wannierberri.formula.covariant_basic.Symmetric method) (wannierberri.formula.covariant_basic.tildeFab method) (wannierberri.formula.covariant_basic.tildeFab_d method) (wannierberri.formula.covariant_basic.tildeHab method) (wannierberri.formula.covariant_basic.tildeHab_d method) (wannierberri.formula.covariant_basic.tildeHGab method) (wannierberri.formula.covariant_basic.tildeHGab_d method)

M

MassMass (class in wannierberri.formula.covariant) MassVel (class in wannierberri.formula.covariant) Matrix_GenDer_ln (class in wannierberri.formula) Matrix_ln (class in wannierberri.formula) Mirror (class in wannierberri.symmetry) MMN (class in wannierberri.w90files) module wannierberri.calculators.dynamic wannierberri.calculators.static wannierberri.calculators.tabulate wannierberri.formula.covariant wannierberri.formula.covariant_basic wannierberri.models wannierberri.symmetry wannierberri.utils.mmn2uHu wannierberri.utils.postw90 wannierberri.utils.vaspspn wannierberri.w90files

Morb (class in wannierberri.calculators.static) morb (class in wannierberri.formula.covariant) Morb_H (class in wannierberri.formula.covariant) Morb_Hpm (class in wannierberri.formula.covariant) Morb_test (class in wannierberri.calculators.static) MultitermCalculator (class in wannierberri.calculators.dynamic)

N

n_neighb (wannierberri.w90files.MMN property) name (wannierberri.w90files.WIN attribute) NB (wannierberri.w90files.AMN attribute) (wannierberri.w90files.AMN property) needed_R_matrices (wannierberri.system.System_R attribute) (wannierberri.system.System_w90 attribute) neighbours (wannierberri.w90files.MMN attribute) NK (wannierberri.w90files.AMN attribute) NKFFT_recommended (wannierberri.system.System_R attribute) NLAHC_FermiSea (class in wannierberri.calculators.static) NLAHC_FermiSurf (class in wannierberri.calculators.static) NLDrude_Fermider2 (class in wannierberri.calculators.static) NLDrude_FermiSea (class in wannierberri.calculators.static) NLDrude_FermiSurf (class in wannierberri.calculators.static) NLDrude_Z_orb_Hplus (class in wannierberri.formula.covariant) NLDrude_Z_orb_Omega (class in wannierberri.formula.covariant) NLDrude_Z_spin (class in wannierberri.formula.covariant) NLDrude_Zeeman_orb (class in wannierberri.calculators.static) NLDrude_Zeeman_orb_Omega (class in wannierberri.calculators.static) NLDrude_Zeeman_spin (class in wannierberri.calculators.static) nn() (wannierberri.formula.covariant.Dcov method) (wannierberri.formula.covariant.DEinv_ln method) (wannierberri.formula.covariant.Der2A method) (wannierberri.formula.covariant.Der2B method) (wannierberri.formula.covariant.Der2Dcov method) (wannierberri.formula.covariant.Der2H method) (wannierberri.formula.covariant.Der2Morb method) (wannierberri.formula.covariant.Der2Morb_H method) (wannierberri.formula.covariant.Der2O method) (wannierberri.formula.covariant.Der2Omega method) (wannierberri.formula.covariant.Der2Spin method) (wannierberri.formula.covariant.Der3E method) (wannierberri.formula.covariant.DerMorb method) (wannierberri.formula.covariant.DerMorb_H method) (wannierberri.formula.covariant.DerOmega method) (wannierberri.formula.covariant.Identity method) (wannierberri.formula.covariant.Morb_H method) (wannierberri.formula.covariant.Morb_Hpm method) (wannierberri.formula.covariant.Omega method) (wannierberri.formula.covariant.SpinOmega method) (wannierberri.formula.covariant_basic.AntiSymmetric method) (wannierberri.formula.covariant_basic.Symmetric method) (wannierberri.formula.covariant_basic.tildeFab method) (wannierberri.formula.covariant_basic.tildeFab_d method) (wannierberri.formula.covariant_basic.tildeHab method) (wannierberri.formula.covariant_basic.tildeHab_d method) (wannierberri.formula.covariant_basic.tildeHGab method) (wannierberri.formula.covariant_basic.tildeHGab_d method)

nonzero() (wannierberri.calculators.dynamic.JDOS method) npar (wannierberri.system.System_R attribute) (wannierberri.system.System_w90 attribute) npz_to_fermisurfer() (in module wannierberri) nRvec (wannierberri.system.System_R attribute) nRvec0 (wannierberri.system.System_w90 attribute) num_wann (wannierberri.system.System_R attribute) (wannierberri.system.System_w90 attribute) NW (wannierberri.w90files.AMN attribute) (wannierberri.w90files.AMN property)

O

Ohmic_FermiSea (class in wannierberri.calculators.static) Ohmic_FermiSurf (class in wannierberri.calculators.static) Omega (class in wannierberri.formula.covariant) OmegaHplus (class in wannierberri.formula.covariant)

OmegaOmega (class in wannierberri.calculators.static) (class in wannierberri.formula.covariant) OmegaS (class in wannierberri.formula.covariant) OpticalConductivity (class in wannierberri.calculators.dynamic) OrbitalMoment (class in wannierberri.calculators.tabulate)

P

Parallel (class in wannierberri.parallel)

parsed (wannierberri.w90files.WIN attribute) Path (class in wannierberri)

R

R (wannierberri.symmetry.Symmetry attribute) read_npz (wannierberri.w90files.Wannier90data attribute) real_lattice (wannierberri.system.System_R attribute) (wannierberri.system.System_w90 attribute)

recip_lattice (wannierberri.system.System_w90 attribute) Result (class in wannierberri.result) ResultDict (class in wannierberri.result) Rotation (class in wannierberri.symmetry) run() (in module wannierberri)

S

SDCT_asym (class in wannierberri.calculators.dynamic) SDCT_asym_sea_I (class in wannierberri.calculators.dynamic) SDCT_asym_sea_II (class in wannierberri.calculators.dynamic) SDCT_asym_surf_I (class in wannierberri.calculators.dynamic) SDCT_asym_surf_II (class in wannierberri.calculators.dynamic) SDCT_sym (class in wannierberri.calculators.dynamic) SDCT_sym_sea_I (class in wannierberri.calculators.dynamic) SDCT_sym_sea_II (class in wannierberri.calculators.dynamic) SDCT_sym_surf_I (class in wannierberri.calculators.dynamic) SDCT_sym_surf_II (class in wannierberri.calculators.dynamic) seedname (wannierberri.system.System_w90 attribute) (wannierberri.w90files.Wannier90data attribute) Serial (class in wannierberri.parallel) set_bk() (wannierberri.w90files.MMN method) set_bk_chk() (wannierberri.w90files.MMN method) set_R_mat() (wannierberri.system.System_R method) set_spin() (wannierberri.system.System_R method) set_spin_from_code() (wannierberri.system.System_R method) set_spin_pairs() (wannierberri.system.System_R method) set_structure() (wannierberri.system.System_R method) set_symmetry() (wannierberri.system.System method) set_symmetry_from_structure() (wannierberri.system.System_R method) SHC (class in wannierberri.calculators.dynamic) (class in wannierberri.calculators.static)

ShiftCurrent (class in wannierberri.calculators.dynamic) ShiftCurrentFormula (class in wannierberri.calculators.dynamic) SHU (class in wannierberri.w90files) SIU (class in wannierberri.w90files) Spin (class in wannierberri.calculators.static) (class in wannierberri.calculators.tabulate) (class in wannierberri.formula.covariant) SpinBerry (class in wannierberri.calculators.tabulate) SpinOmega (class in wannierberri.formula.covariant) SpinVelocity (class in wannierberri.formula.covariant) SPN (class in wannierberri.w90files) StaticCalculator (class in wannierberri.calculators.static) Symmetric (class in wannierberri.formula.covariant_basic) symmetrize() (wannierberri.system.System_R method) Symmetry (class in wannierberri.symmetry) System (class in wannierberri.system) System_ASE (class in wannierberri.system) System_fplo (class in wannierberri.system) System_PythTB (class in wannierberri.system) System_R (class in wannierberri.system) System_tb (class in wannierberri.system) System_TBmodels (class in wannierberri.system) System_w90 (class in wannierberri.system) SystemKP (class in wannierberri.system) SystemRandom (class in wannierberri.system)

T

TABresult (class in wannierberri.result) Tabulator (class in wannierberri.calculators.tabulate) TabulatorAll (class in wannierberri.calculators) (class in wannierberri.calculators.tabulate) tildeFab (class in wannierberri.formula.covariant_basic) tildeFab_d (class in wannierberri.formula.covariant_basic) tildeFc (class in wannierberri.formula.covariant_basic) tildeFc_d (class in wannierberri.formula.covariant_basic) tildeHab (class in wannierberri.formula.covariant_basic) tildeHab_d (class in wannierberri.formula.covariant_basic) tildeHGab (class in wannierberri.formula.covariant_basic) tildeHGab_d (class in wannierberri.formula.covariant_basic) tildeHGc (class in wannierberri.formula.covariant_basic) tildeHGc_d (class in wannierberri.formula.covariant_basic) to_w90_file() (wannierberri.w90files.AMN method) (wannierberri.w90files.MMN method)

TR (wannierberri.symmetry.Symmetry attribute) trace_ln() (wannierberri.calculators.dynamic.Formula_dyn_ident method) (wannierberri.calculators.dynamic.Formula_OptCond method) (wannierberri.calculators.dynamic.Formula_SDCT_asym_sea_I method) (wannierberri.calculators.dynamic.Formula_SDCT_asym_sea_II method) (wannierberri.calculators.dynamic.Formula_SDCT_asym_surf_I method) (wannierberri.calculators.dynamic.Formula_SDCT_asym_surf_II method) (wannierberri.calculators.dynamic.Formula_SDCT_sym_sea_I method) (wannierberri.calculators.dynamic.Formula_SDCT_sym_sea_II method) (wannierberri.calculators.dynamic.Formula_SDCT_sym_surf_I method) (wannierberri.calculators.dynamic.Formula_SDCT_sym_surf_II method) (wannierberri.calculators.dynamic.Formula_SHC method) (wannierberri.calculators.dynamic.InjectionCurrentFormula method) (wannierberri.calculators.dynamic.ShiftCurrentFormula method) Transform (class in wannierberri.symmetry) TransformProduct (class in wannierberri.symmetry)

U

UHU (class in wannierberri.w90files) UIU (class in wannierberri.w90files) units_length (wannierberri.w90files.WIN attribute)

use_wcc_phase (wannierberri.system.System_R attribute) (wannierberri.system.System_w90 attribute) use_ws (wannierberri.system.System_R attribute) (wannierberri.system.System_w90 attribute)

V

VelHplus (class in wannierberri.formula.covariant) VelMassVel (class in wannierberri.formula.covariant) Velocity (class in wannierberri.calculators.tabulate) (class in wannierberri.formula.covariant)

VelOmega (class in wannierberri.formula.covariant) VelSpin (class in wannierberri.formula.covariant) VelVel (class in wannierberri.formula.covariant) VelVelVel (class in wannierberri.formula.covariant) VoidSmoother (class in wannierberri.smoother)

W

Wannier90data (class in wannierberri.w90files) wannier_centers (wannierberri.w90files.CheckPoint property) wannier_centers_cart (wannierberri.system.System_R attribute) (wannierberri.system.System_w90 attribute) wannier_centers_reduced (wannierberri.system.System_R attribute) wannier_gauge() (wannierberri.w90files.CheckPoint method) wannierberri.calculators.dynamic module wannierberri.calculators.static module wannierberri.calculators.tabulate module wannierberri.formula.covariant module wannierberri.formula.covariant_basic module wannierberri.models module

wannierberri.symmetry module wannierberri.utils.mmn2uHu module wannierberri.utils.postw90 module wannierberri.utils.vaspspn module wannierberri.w90files module wannierised (wannierberri.w90files.Wannier90data attribute) WIN (class in wannierberri.w90files) write() (wannierberri.w90files.Wannier90data method) (wannierberri.w90files.WIN method) write_npz_formatted (wannierberri.w90files.Wannier90data attribute) write_npz_list (wannierberri.w90files.Wannier90data attribute)