NSW

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Revision as of 10:36, 19 April 2019 by Karsai (talk | contribs)

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.

Examples that use this tag