NELMIN: Difference between revisions

Revision as of 12:27, 31 January 2011

Description: specifies the minimum number of electronic SC steps.

Generally you do not need to change this setting. In some cases (for instance MD runs, or ionic relaxation) you might set NELMIN to a larger value (4 to 8).

Related Tags and Sections

NELM, NELMDL

Contents

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 Description: specifies the minimum number of electronic SC steps.
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-Generally you do not need to change this setting. In some cases (for instance MD's, or ionic relaxation) you might set {{TAG|NELMIN}} to a larger value (4 to 8).
+Generally you do not need to change this setting. In some cases (for instance [[Molecular_dynamics|MD]] runs, or [[Ionic_relaxation|ionic relaxation]]) you might set {{TAG|NELMIN}} to a larger value (4 to 8).
 == Related Tags and Sections ==
 {{TAG|NELM}},
-{{TAG|NELMDL}},
+{{TAG|NELMDL}}
-[[Molecular_dynamics|Molecular dynamics]],
-[[Ionic_relaxation|Ionic relaxation]].
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