triqs_modest.utils.dc.DcSolver

class triqs_modest.utils.dc.DcSolver

Double counting “solver”.

It implements the double counting correction for DFT+DMFT, which is a phenomenlogical introduced double counting the interactions already taken into account at the mean-field level within DFT. This class implements several double counting formulas (all of which are functions of the density) relevant for different scenarios.

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Dispatched C++ constructor(s).

[1] (n_sigma: int, method: str, U_int: float, J_hund: float)

Construct a double counting “solver”.

Parameters:

n_sigmaint

Dimension of the \(\sigma\) index.

methodstr

Double counting formula (method) to call (options: cFLL, sFLL, cAMF, sAMF, cHeld).

U_intfloat

Hubbard \(U\) to use in the DC formula.

J_hundfloat

Hund’s coupling \(J\) to use in the DC formula.

Methods

dc_energy	Compute the double counting correction to the energy.
dc_self_energy	Compute the double-counting self-energy.