Result

class wannierberri.result.Result

class wannierberri.result.ResultDict(results)

Bases: Result

Stores a dictionary of instances of the class Result.

class wannierberri.result.EnergyResult(Energies=None, data=None, smoothers=None, transformTR=None, transformInv=None, rank=None, E_titles=['Efermi', 'Omega'], save_mode='txt+bin', file_npz=None, comment='undocumented')

Bases: Result

A class to store data dependent on several energies, e.g. Efermi and Omega

Energy may also be an empty list, then the quantity does not depend on any energy (does it work?)

Parameters:

• Energies (1D array or list of 1D arrays) –

  The energies, on which the data depend

  Energy may also be an empty list, then the quantity does not depend on any energy (does it work?)

• data (array(float) or array(complex)) –

  the data. The first dimensions should match the sizes of the Energies arrays. The rest should be equal to 3

• smoothers (a list of Smoother) –

  smoothers, one per each energy variable (usually do not need to be set by the calculator function.

  but are set automaticaly for Fermi levels and Omega’s , and during the further * and + operations

• transformTR (:class:~wannierberri.symmetry.Transform) –

  How the result trabsfrms under time-reversal operation

  relevant if system has TimeReversal, either alone or in combination with spatial symmetyries

• transformInv (:class:~wannierberri.symmetry.Transform) –

  How the result trabsfrms under inversion

  relevant if system has Inversion, either alone or as part of other symmetyries (e.g. Mx=C2x*I)

• rank (int) –

  of the tensor, usually no need, to specify, it is set automatically to the number of dimensions

  of the data array minus number of energies

• E_titles (list of str) –

  titles to be printed above the energy columns

• file_npz (str) –

  path to a np file (if provided, the parameters Enegries, data, transformTR, transformInv, rank and

  E_titles are neglected)

• comment (str) –

  Any line that can mark what is in the result

class wannierberri.result.KBandResult(data, transformTR, transformInv)

Bases: Result

class wannierberri.result.TABresult(kpoints, recip_lattice, results={}, mode='grid', save_mode='frmsf')

Bases: Result