NELMIN: Difference between revisions

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.

@@ Line 1: / Line 1: @@
 {{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|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]]