NELMIN: Difference between revisions
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{{TAGDEF|NELMIN|[integer]|2}} | {{TAGDEF|NELMIN|[integer]|2}} | ||
Description: {{TAG|NELMIN}} specifies the minimum number of electronic | Description: {{TAG|NELMIN}} specifies the minimum number of electronic self-consistency steps. | ||
---- | ---- | ||
Generally you do not need to change this setting. In some cases (for instance [[:Category:Molecular Dynamics]] runs, or [[:Category:Ionic Minimization Methods]]) 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 [[:Category:Molecular Dynamics]] runs, or [[:Category:Ionic Minimization Methods]]) you might set {{TAG|NELMIN}} to a larger value (4 to 8). | ||
== Related | == Related tags and articles == | ||
{{TAG|NELM}}, | {{TAG|NELM}}, | ||
{{TAG|NELMDL}} | {{TAG|NELMDL}} | ||
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[[Category:INCAR]][[Category:Electronic | [[Category:INCAR]][[Category:Electronic minimization]] | ||
Revision as of 14:37, 6 April 2022
NELMIN = [integer]
Default: NELMIN = 2
Description: NELMIN specifies the minimum number of electronic self-consistency steps.
Generally, you do not need to change this setting. In some cases (for instance Category:Molecular Dynamics runs, or Category:Ionic Minimization Methods) you might set NELMIN to a larger value (4 to 8).