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Check that all implementions set same kpoints mesh at least for "precise" protocol. #214
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So would this mean we take the 'precise' parameter, then run a series of calculations for different k-points and see how well the energy is converged with respect to, for example, the k-point density? If we tried this for at least one representative example we should be able to get a feeling if a similar k-point density makes sense in the different algorithms and implementations. |
Sorry @PhilippRue, I should have clarified what the decision was. |
Apparently the kpoints mesh with distance of |
Consensus have been reach that the "converged" set of kpoints should be independent on the method and code. Agreement on the kpoints used have been reach just before the submission of the first paper, however a check is needed and the choice must be translated to the new codes.
I will self assign myself to monitor the status of this issue.
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