• API reference
  • Wannierisation inside WannierBerri
    • wannierise.wannierise()
    • Example
  • Searching for suitable projections
    • EBRsearcher
      • EBRsearcher.eig
      • EBRsearcher.nsym_little
      • EBRsearcher.find_combinations()
    • Projections and Wyckoff positions
      • Projection
      • ProjectionsSet
      • RepulsivePotential
      • check_orbit()
      • find_distance_periodic()
      • get_orbit()
      • get_perpendicular_coplanar_vector()
      • orbit_and_rottrans()
      • read_xzaxis()
      • WyckoffPosition
      • WyckoffPositionNumeric
      • find_solution_mod1()
      • get_orbit()
      • get_shifts()
      • orbit_and_rottrans()
      • split_into_orbits()
  • System
    • System
      • System.recip_lattice
      • System.set_pointgroup()
      • System.cell_volume
  • Real-space systems
    • System_R
      • System_R.needed_R_matrices
      • System_R.npar
      • System_R._XX_R
      • System_R.wannier_centers_cart
      • System_R.wannier_centers_red
      • System_R.num_wann
      • System_R.real_lattice
      • System_R.NKFFT_recommended
      • System_R.set_R_mat()
      • System_R.set_spin()
      • System_R.set_spin_pairs()
      • System_R.set_spin_from_projections()
      • System_R.set_structure()
      • System_R.set_symmetry_from_structure()
    • Symmetrization of the system
      • System_R.symmetrize()
      • System_R.symmetrize2()
    • From Wannier functions
      • Wanierisation inside WannierBerri
      • Wannier90
      • FPLO
      • ASE
    • From tight-binding models
      • wannier90_tb.dat file
      • PythTB
      • TBmodels
    • Randomly generated
      • SystemRandom
  • k-space systems
    • \(\mathbf{k}\cdot\mathbf{p}\) models
      • SystemKP
  • Running a calculation
    • On a grip or path
      • run()
    • Single k-point
      • evaluate_k()
    • on a path (simple)
      • evaluate_k_path()
  • Calculators
    • Calculator
    • Static (dependent only on Fermi level)
      • StaticCalculator
      • AHC
      • AHC_Zeeman_orb
      • AHC_Zeeman_spin
      • AHC_test
      • BerryDipole_FermiSea
      • BerryDipole_FermiSea_test
      • BerryDipole_FermiSurf
      • CumDOS
      • DOS
      • GME_orb_FermiSea
      • GME_orb_FermiSea_test
      • GME_orb_FermiSurf
      • GME_spin_FermiSea
      • GME_spin_FermiSurf
      • Hall_classic_FermiSea
      • Hall_classic_FermiSurf
      • Morb
      • Morb_test
      • NLAHC_FermiSea
      • NLAHC_FermiSurf
      • NLDrude_FermiSea
      • NLDrude_FermiSurf
      • NLDrude_Fermider2
      • NLDrude_Zeeman_orb
      • NLDrude_Zeeman_orb_Omega
      • NLDrude_Zeeman_spin
      • Ohmic_FermiSea
      • Ohmic_FermiSurf
      • OmegaOmega
      • SHC
      • Spin
      • eMChA_FermiSurf
    • Dynamic (dependent on Fermi level and frequency)
      • DynamicCalculator
      • Formula_OptCond
      • Formula_SHC
      • Formula_dyn_ident
      • InjectionCurrent
      • InjectionCurrentFormula
      • JDOS
      • OpticalConductivity
      • SHC
      • ShiftCurrent
      • ShiftCurrentFormula
    • Tabulating
      • TabulatorAll
      • Tabulator
      • BerryCurvature
      • Der2BerryCurvature
      • Der2OrbitalMoment
      • Der2Spin
      • Der3E
      • DerBerryCurvature
      • DerOrbitalMoment
      • DerOrbitalMoment_test
      • DerSpin
      • Energy
      • InvMass
      • OrbitalMoment
      • Spin
      • SpinBerry
      • TabulatorAll
      • Velocity
      • npz_to_fermisurfer()
  • Formula
    • Basic classes:
      • Formula_ln
      • Matrix_ln
      • Matrix_GenDer_ln
      • FormulaProduct
    • Some implemented formulae:
      • DEinv_ln
      • Dcov
      • Der2A
      • Der2B
      • Der2Dcov
      • Der2H
      • Der2Morb
      • Der2Morb_H
      • Der2O
      • Der2Omega
      • Der2Spin
      • Der2morb
      • Der3E
      • DerDcov
      • DerMorb
      • DerMorb_H
      • DerOmega
      • DerSpin
      • DerWln
      • Dermorb
      • Eavln
      • Hamiltonian
      • Identity
      • InvMass
      • MassMass
      • MassVel
      • Morb_H
      • Morb_Hpm
      • NLDrude_Z_orb_Hplus
      • NLDrude_Z_orb_Omega
      • NLDrude_Z_spin
      • Omega
      • OmegaHplus
      • OmegaOmega
      • OmegaS
      • Spin
      • SpinOmega
      • SpinVelocity
      • VelHplus
      • VelMassVel
      • VelOmega
      • VelSpin
      • VelVel
      • VelVelVel
      • Velocity
      • emcha_surf
      • morb
    • Some extra formulae (for testiing):
      • AntiSymmetric
      • Der_morb
      • Symmetric
      • tildeFab
      • tildeFab_d
      • tildeFc
      • tildeFc_d
      • tildeHGab
      • tildeHGab_d
      • tildeHGc
      • tildeHGc_d
      • tildeHab
      • tildeHab_d
  • Result
    • Result
    • ResultDict
    • EnergyResult
    • KBandResult
    • TABresult
  • Parallel execution
    • Parallel
    • Serial
    • multi-node mode
  • Grid or Path
    • GridAbstract
      • GridAbstract.get_K_list()
      • GridAbstract.points_FFT
    • Grid
    • GridTetra
    • GridTrigonal
    • GridTrigonalH
    • Path
  • Point group Symmetries
    • Mirror
    • Rotation
    • PointSymmetry
      • PointSymmetry.R
      • PointSymmetry.TR
      • PointSymmetry.Inv
    • PointGroup
      • PointGroup.check_basis_symmetry()
      • PointGroup.gen_symmetric_tensor()
      • PointGroup.get_symmetric_components()
    • Transform
    • TransformProduct
  • Smoother
    • get_smoother()
    • FermiDiracSmoother
    • GaussianSmoother
    • VoidSmoother
    • AbstractSmoother
      • AbstractSmoother.__call__()
      • AbstractSmoother.__init__()
      • AbstractSmoother._broaden()
      • AbstractSmoother._params
  • storing and handling Wannier90 input and output files
    • Wannier90data
      • Wannier90data.chk
      • Wannier90data.seedname
      • Wannier90data.wannierised
      • Wannier90data.read_npz
      • Wannier90data.write_npz_list
      • Wannier90data.write_npz_formatted
      • Wannier90data.formatted_list
      • Wannier90data.readfiles
      • Wannier90data.__init__()
      • Wannier90data.select_bands()
      • Wannier90data.set_random_symmetric_projections()
      • Wannier90data.write()
    • W90_file
      • W90_file.npz_tags
    • AMN
      • AMN.NB
      • AMN.NW
      • AMN.NK
      • AMN.data
      • AMN.from_w90_file()
      • AMN.select_bands()
      • AMN.spin_order_block_to_interlace()
      • AMN.spin_order_interlace_to_block()
    • CheckPoint
      • CheckPoint.get_AABB_qb()
      • CheckPoint.get_AA_q()
      • CheckPoint.get_AA_qb()
      • CheckPoint.get_BB_qb()
      • CheckPoint.get_CCOOGG_qb()
      • CheckPoint.get_CC_qb()
      • CheckPoint.get_GG_qb()
      • CheckPoint.get_HH_q()
      • CheckPoint.get_OO_qb()
      • CheckPoint.get_SHA_q()
      • CheckPoint.get_SHR_q()
      • CheckPoint.get_SS_q()
      • CheckPoint.get_wannier_centers()
      • CheckPoint.kpt_latt_int
      • CheckPoint.spin_order_block_to_interlace()
      • CheckPoint.spin_order_interlace_to_block()
      • CheckPoint.wannier_gauge()
    • EIG
      • EIG.from_w90_file()
      • EIG.select_bands()
    • MMN
      • MMN.data
      • MMN.neighbours
      • MMN.G
      • MMN.from_w90_file()
      • MMN.n_neighb
      • MMN.select_bands()
    • SHU
    • SIU
    • SPN
      • SPN.from_w90_file()
      • SPN.select_bands()
    • UHU
    • UIU
    • WIN
      • WIN.name
      • WIN.parsed
      • WIN.get_kpoints()
      • WIN.get_projections()
      • WIN.get_unit_cell_cart_ang()
      • WIN.update()
      • WIN.write()
    • SXU
      • SXU.from_w90_file()
      • SXU.n_neighb
      • SXU.select_bands()
    • UXU
      • UXU.from_w90_file()
      • UXU.n_neighb
      • UXU.select_bands()
  • Data_K class
    • Data_K
      • Data_K.A_H
      • Data_K.A_H_internal
      • Data_K.D_H
      • Data_K.Dcov
      • Data_K.E_K
      • Data_K.HH_K
      • Data_K.SDCT
      • Data_K.UU_K
      • Data_K.V_covariant
      • Data_K.covariant()
      • Data_K.dEig_inv
      • Data_K.degen
      • Data_K.delE_K
      • Data_K.get_bands_in_range_groups()
      • Data_K.get_bands_in_range_groups_ik()
      • Data_K.is_phonon
      • Data_K.kpoints_all
      • Data_K.nbands
      • Data_K.nk
      • Data_K.phonon_freq_from_square()
      • Data_K.select_bands()
      • Data_K.tetraWeights
    • Data_K_R
      • Data_K_R.E_K_corners_parallel()
      • Data_K_R.E_K_corners_tetra()
      • Data_K_R.HH_K
      • Data_K_R.Xbar()
      • Data_K_R.get_R_mat()
    • Data_K_k
      • Data_K_k.E_K_corners_parallel()
      • Data_K_k.E_K_corners_tetra()
      • Data_K_k.HH_K
      • Data_K_k.Xbar()
  • Models
    • Chiral()
    • Haldane_ptb()
    • Haldane_tbm()
• Symmetries
• Utilities
  • mmn2uHu
  • vaspspn
  • postw90.x emulator
  • cluster
• Installation and technical remarks
  • Parallelization
  • Windows OS
  • known bug with pyfftw
• Benchmarking with postw90.x
• Methods
  • General equations for Wannier interpolation
  • Mixed Fourier transform
  • Symmetries
  • Recursive adaptive refinement
  • Minimal-distance replica selection method
• External software used