NSW: Difference between revisions
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Revision as of 17:20, 15 February 2019
NSW = [integer]
Default: NSW = 0
Description: NSW sets the maximum number of ionic steps.
Mind: Within each ionic step at most NELM electronic-SC loops are performed unless the EDIFF convergence criterium is matched before. Exact Hellmann-Feynman forces and stresses are calculated for each ionic step.