triqs_modest.module.one_body_elements_from_dft_converter

triqs_modest.module.one_body_elements_from_dft_converter()

Function dispatched to the following (C++) functions:

[1] (filename: str,
     threshold: float = 1e-05,
     diagonalize_hloc: bool = False)
  -> tuple[float, OneBodyElementsOnGrid]

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Create a one-body elements object with orthonormalized projectors. Using the data from the “dft_input” group, the band_dispersion, local_space, downfolding_projector, and optional ibz_symmetry_ops are prepared to create a one-body elements object. This object is intended to be used in DMFT calculations.

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Parameters

filename:

Hdf5 file from dft_tools converter.

threshold:

Off-diagonal threshold for discovery of symmetries.

diagonalize_hloc:

Diagonalize the local non-interacting hamiltonian.

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Returns

The total electron density and a one-body elements.

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