PSCF v1.4.0
Perturbation

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A "perturbation" is an optional feature that allows a user to modify the form of the field theoretic Hamiltonian by an additional functional of the fields, or "perturbation", to the standard Hamiltonian functional. Perturbations are discussed on a separate page.

The only type of perturbation that is available in the current version of PSCF is implemented by the algorithm:

The EinsteinCrystalPerturbation algorithm is designed to enable the Einstein crystal thermodynamic integation method for computing absolute free energies.


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