BigDFT.BZ module

get_ev(ev, keys=None, ikpt=1)[source]

Get the correct list of the energies for this eigenvalue.


Convert the astruct information as parsed from the module Logfiles into the cell structure as needed from spglib

class BandArray(*args, **kwargs)[source]

Defines the array of data for one band. It is a dictionary which contains a numpy array for both spin channels.

class BZPath(lattice, path, special_points, npts=50)[source]

Defines a set of points which are associated to a path in the reduced Brillouin Zone.