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KdotPOccupiedSolutionMethod

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KdotPOccupiedSolutionMethod

Section Linear Response::KdotP
Type integer
Default sternheimer_eqn

Method of calculating the contribution of the projection of the linear-response wavefunctions in the occupied subspace.

Options:

sternheimer_eqn:
The Sternheimer equation is solved including the occupied subspace, to get the full linear-response wavefunctions.
sum_over_states:
The Sternheimer equation is solved only in the unoccupied subspace, and a sum-over-states perturbation-theory expression is used to evaluate the contributions in the occupied subspace.

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