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. | ||
---- | ---- | ||
It is rarely necessary to change the value of the {{TAG|NELMIN}} tag. In some cases, e.g., in [[:Category:Molecular dynamics|molecular-dynamics]] runs, or [[:Category:Ionic minimization|ionic-minimization]] methods, we recommend increasing the {{TAG|NELMIN}} tag to a value between 4 and 8. | |||
== Related | == Related tags and articles == | ||
{{TAG|NELM}}, | {{TAG|NELM}}, | ||
{{TAG|NELMDL}} | {{TAG|NELMDL}} | ||
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[[Category:INCAR]][[Category:Electronic | [[Category:INCAR tag]][[Category:Electronic minimization]] | ||
Latest revision as of 14:54, 7 April 2022
NELMIN = [integer]
Default: NELMIN = 2
Description: NELMIN specifies the minimum number of electronic self-consistency steps.
It is rarely necessary to change the value of the NELMIN tag. In some cases, e.g., in molecular-dynamics runs, or ionic-minimization methods, we recommend increasing the NELMIN tag to a value between 4 and 8.