• API reference
  • Initializing a System
    • System
      • System.set_parameters()
      • System.set_R_mat()
      • System.set_spin()
      • System.set_spin_pairs()
      • System.set_spin_from_code()
      • System.set_symmetry()
      • System.set_structure()
      • System.set_symmetry_from_structure()
    • Symmetrization of the system
      • System.symmetrize()
    • From Wannier functions
      • Wannier90
      • FPLO
      • ASE
    • From tight-binding models
      • wannier90_tb.dat file
      • PythTB
      • TBmodels
    • \(\mathbf{k}\cdot\mathbf{p}\) models
      • SystemKP
  • Running a calculation
    • run()
  • Single k-point
    • evaluate_k()
  • 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
      • Ohmic_FermiSea
      • Ohmic_FermiSurf
      • OmegaOmega
      • SHC
      • Spin
    • 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
      • DerBerryCurvature
      • DerOrbitalMoment
      • Energy
      • OrbitalMoment
      • Spin
      • SpinBerry
      • Velocity
  • Formula
    • Basic classes:
      • Formula_ln
      • Matrix_ln
      • Matrix_GenDer_ln
      • FormulaProduct
    • Some implemented formulae:
      • DEinv_ln
      • Dcov
      • Der3E
      • DerDcov
      • DerMorb
      • DerOmega
      • DerSpin
      • DerWln
      • Eavln
      • Hamiltonian
      • Identity
      • InvMass
      • MassMass
      • MassVel
      • Morb_H
      • Morb_Hpm
      • Omega
      • OmegaHplus
      • OmegaOmega
      • OmegaS
      • Spin
      • SpinOmega
      • SpinVelocity
      • VelHplus
      • VelMassVel
      • VelOmega
      • VelSpin
      • VelVel
      • VelVelVel
      • Velocity
      • 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
    • Grid
    • Path
  • Symmetries
    • Mirror
    • Rotation
    • Symmetry
      • Symmetry.R
      • Symmetry.TR
      • Symmetry.Inv
    • Group
      • Group.check_basis_symmetry()
      • Group.gen_symmetric_tensor()
      • Group.get_symmetric_components()
    • Transform
    • TransformProduct
  • Smoother
    • get_smoother()
    • FermiDiracSmoother
    • GaussianSmoother
    • VoidSmoother
    • AbstractSmoother
      • AbstractSmoother.__call__()
      • AbstractSmoother.__init__()
      • AbstractSmoother._broaden()
      • AbstractSmoother._params
  • Data_K class
    • _Data_K
    • Data_K_R
    • Data_K_k
  • Models
    • Chiral()
    • Haldane_ptb()
    • Haldane_tbm()
• Utilities
  • mmn2uHu
  • vaspspn
  • postw90.x emulator
• 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