triqs_dft_tools.converters.wannier90.read_misc_input

triqs_dft_tools.converters.wannier90.read_misc_input(w90_seed, n_spin_blocks, n_k)

Reads input from DFT code calculations to get occupations, the band window, the Fermi energy and the basis for the k points.

Parameters:

w90_seed : string

seed of wannier90 calculations

n_spin_blocks : int

SP + 1 - SO

n_k : int

Number of k points

Returns:

fermi_weights : np.ndarray[n_k, n_spin_blocks, n_bands]

occupations from DFT calculation

band_window : np.ndarray[n_k, n_spin_blocks, n_bands]

band indices of correlated subspace

fermi_energy : float

the DFT Kohn-Sham Fermi energy

kpt_basis: np.ndarray[3, 3] :

the basis vectors in reciprocal space