NELMIN: Difference between revisions

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Description: {{TAG|NELMIN}} specifies the minimum number of electronic SCF steps.  
Description: {{TAG|NELMIN}} specifies the minimum number of electronic SCF 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 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 ==
== Related Tags and Sections ==

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).

Related Tags and Sections

NELM, NELMDL

Examples that use this tag