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 SCF steps.  
Description: {{TAG|NELMIN}} specifies the minimum number of electronic self-consistency steps.  
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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).
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 Tags and Sections ==
== Related tags and articles ==
{{TAG|NELM}},
{{TAG|NELM}},
{{TAG|NELMDL}}
{{TAG|NELMDL}}
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[[Category:INCAR]][[Category:Electronic Minimization]][[Category:Electronic Minimization Methods]]
[[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.

Related tags and articles

NELM, NELMDL

Examples that use this tag