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 SC 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 [[Molecular_dynamics|MD]] runs, or [[Ionic_relaxation|ionic relaxation]]) 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}}


== Example Calculations using this Tag ==
{{sc|NELMIN|Examples|Examples that use this tag}}
{{TAG|Constraining the local magnetic moments}}, {{TAG|Determining the Magnetic Anisotropy}}, {{TAG|Estimation of J magnetic coupling}}, {{TAG|Including the Spin-Orbit Coupling}}, {{TAG|liquid Si}}, {{TAG|NiO GGA+U, NiO HSE06}}, {{TAG|Relaxed geometry}}, {{TAG|TS search using the Improved Dimer Method}}, {{TAG|TS search using the NEB Method}}, {{TAG|Vibrational Analysis of the TS}}
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[[The_VASP_Manual|Contents]]


[[Category:INCAR]]
[[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