Fig. 7: Flow diagram illustrating the application of the long-range (LR) non-analytic correction.
From: Thermodynamics of solids including anharmonicity through quasiparticle theory
The LR contribution is subtracted from the calculated forces and the resulting short-range (SR) forces are fitted with the n-th order force constant (FCn) model. This results in a short-range FCn model that, together with the second-order long-range contribution, generates the complete FCn model.
