triqs_dftkit.vasp.driver.Driver.band_energy_and_write_charge_update

Driver.band_energy_and_write_charge_update(N_k)

Compute band energy correction and write charge density update to HDF5.

Parameters:

N_knp.ndarray

DMFT density matrix in band basis, shape (n_k, n_spin, n_max_bands, n_max_bands).

Returns:

float

Band energy correction in eV.