Preorthogonalization

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Preorthogonalization

Section Linear Response::Sternheimer
Type logical

Whether initial linear-response wavefunctions should be orthogonalized or not against the occupied states, at the start of each SCF cycle. Default is true only if SmearingFunction = semiconducting, or if the Occupations block specifies all full or empty states, and we are not solving for linear response in the occupied subspace too.


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