NSW: Difference between revisions
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{{TAGDEF|NSW|[integer] | {{TAGDEF|NSW|[integer]|0}} | ||
Description: {{TAG|NSW}} sets the maximum number of ionic steps. | Description: {{TAG|NSW}} sets the maximum number of ionic steps. | ||
Revision as of 17:19, 29 January 2011
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.