Data_K class

class wannierberri.data_K._Data_K(system, dK, grid, Kpoint=None, Emin=-inf, Emax=inf, use_wcc_phase=False, fftlib='fftw', npar_k=1, random_gauge=False, degen_thresh_random_gauge=0.0001)[source]

class to store many data calculated on a specific FFT grid. The stored data can be used to evaluate many quantities. Is destroyed after everything is evaluated for the FFT grid

Parameters:
  • random_gauge (bool) – applies random unitary rotations to degenerate states. Needed only for testing, to make sure that gauge covariance is preserved.

  • degen_thresh_random_gauge (float) – threshold to consider bands as degenerate for random_gauge

  • fftlib (str) – library used to perform fftlib : ‘fftw’ (defgault) or ‘numpy’ or ‘slow’

class wannierberri.data_K.Data_K_R(system, dK, grid, _FF_antisym=False, _CCab_antisym=False, **parameters)[source]

The Data_K class for systems defined by R-space matrix elements (Wannier/TB)

class wannierberri.data_K.Data_K_k(system, dK, grid, Kpoint=None, Emin=-inf, Emax=inf, use_wcc_phase=False, fftlib='fftw', npar_k=1, random_gauge=False, degen_thresh_random_gauge=0.0001)[source]

The Data_K class for systems defined by k-dependent Hamiltonians (kp)