Manipulating WIN files

Wannier90 I/O routines pertaining to WIN files

w90utils.io.win.print_atoms(atoms, units='crystal', file=<_io.TextIOWrapper name='<stdout>' mode='w' encoding='UTF-8'>)

w90utils.io.win.print_kgrid(kgrid, file=<_io.TextIOWrapper name='<stdout>' mode='w' encoding='UTF-8'>)

w90utils.io.win.print_kpoints(kpoints, mp_grid=None, file=<_io.TextIOWrapper name='<stdout>' mode='w' encoding='UTF-8'>)

w90utils.io.win.print_unit_cell(dlv, units='bohr', file=<_io.TextIOWrapper name='<stdout>' mode='w' encoding='UTF-8'>)

w90utils.io.win.read_atoms(fname, units='crystal')

w90utils.io.win.read_dlv(fname, units='bohr')

Read direct lattice vectors from WIN file.

Parameters

• fname (str) – Wannier90 WIN file

• units (str, {'bohr', 'angstrom'}) – units of returned lattice vectors

Returns

dlv (ndarray, shape (3, 3)) – direct lattice vectors

w90utils.io.win.read_kgrid(fname)

w90utils.io.win.read_kpoints(fname)

w90utils.io.win.read_proj_line(line, dlv, basis, spinors)

w90utils.io.win.read_projections(fname)

w90utils.io.win.remove_comments(s)