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HamiltonianVariation

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HamiltonianVariation

Section Linear Response::Sternheimer
Type integer
Default hartree+fxc

The terms to be considered in the variation of the Hamiltonian. The external potential (V_ext) is always considered. The default is to include also the exchange-correlation and Hartree terms, which fully takes into account local fields. Just hartree gives you the random-phase approximation (RPA). If you want to choose the exchange-correlation kernel, use the variable XCKernel. For kdotp and magnetic em_resp modes, or if TheoryLevel = independent_particles, the value V_ext_only is used and this variable is ignored.

Options:

V_ext_only:
Neither Hartree nor XC potentials included.
hartree:
The variation of the Hartree potential only.
fxc:
The exchange-correlation kernel (the variation of the exchange-correlation potential) only.

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