NELMIN: Difference between revisions

Revision as of 10:33, 19 April 2019

NELMIN = [integer]
Default: NELMIN = 2

Description: NELMIN specifies the minimum number of electronic SCF 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).

@@ 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 SCF steps.
 ----
-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).
+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 Tags and Sections ==
@@ Line 9: / Line 9: @@
 {{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}}
 ----
-[[The_VASP_Manual|Contents]]
-[[Category:INCAR]]
+[[Category:INCAR]][[Category:Electronic Minimization]][[Category:Electronic Minimization Methods]]