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giannozz authored
In a recent commit the factor (-1)^l that was present in atomic_wfc_nc_updown (spin-orbiit/noncollinear case only) has gone missing in the merged code. It was not present in atomic_wfc and nobody had noticed its absence. It would have gone unnoticed forever, if it weren't for DFT+U for spin-orbit / noncollinear cases contained in the examples for HP: for mysterious reasons, stresses are different enough to trigger a discrepancy warning. I do not think that a factor mutiplying atomic wavefunctions should make any difference in final results, so I see two possibilities here: - a serious numerical instability, or - some hidden implicit assumption on the form of the atomic wavefunctions in the stress code
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