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Your fix seems fine, although I'm not sure if we should simultaneously store $\mathrm{P}(\mathbf{k})$ and $\Delta\mathrm{P}(\mathbf{k})$ at all. At this point they are of course still identical, but I don't see a reason why we could not store e.g. $\Delta\mathrm{P}(\mathbf{k})$ only and calculate $\mathrm{P}(\mathbf{k})$ on the fly in the linresp routines.
@bhourahine Can we change the title of this issue? ;)
vanderhe
changed the title
Your fix seems fine, although I'm not sure if we should simultaneously store $\mathrm{P}(\mathbf{k})$ and $\Delta\mathrm{P}(\mathbf{k})$ at all. At this point they are of course still identical, but I don't see a reason why we could not store e.g. $\Delta\mathrm{P}(\mathbf{k})$ only and calculate $\mathrm{P}(\mathbf{k})$ on the fly in the linresp routines.
Semi-duplicate of (delta) density matrix
Jan 16, 2024
Originally posted by @vanderhe in #1367 (review)
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