NELMIN: Difference between revisions
(Created page with '{{TAGDEF|NELMIN|2}} Description: specifies the minimum number of electronic SC steps. ---- Generally you do not need to change this setting. In some cases (for instance MD's, o…') |
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== Related Tags and Sections == | == Related Tags and Sections == | ||
{{TAG|NELM}}, | {{TAG|NELM}}, | ||
{{TAG|NELMDL}} | {{TAG|NELMDL}}, | ||
Molecular dynamics, | |||
Ionic relaxation. | |||
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Revision as of 12:23, 31 January 2011
NELMIN = 2
Description: specifies the minimum number of electronic SC steps.
Generally you do not need to change this setting. In some cases (for instance MD's, or ionic relaxation) you might set NELMIN to a larger value (4 to 8).
Related Tags and Sections
NELM, NELMDL, Molecular dynamics, Ionic relaxation.