NELM: Difference between revisions

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{{TAG|NELMIN}}
{{TAG|NELMIN}}


== Example Calculations using this Tag ==
{{sc|NELM|Examples|Examples that use this tag}}
{{TAG|bandgap of Si in GW}}, {{TAG|bandstructure of SrVO3 in GW}}, {{TAG|dielectric properties of Si}}, {{TAG|Dielectric properties of Si using BSE}}, {{TAG|Equilibrium volume of Si in the RPA}}, {{TAG|Model BSE calculation on Si}}, {{TAG|Si HSE bandstructure}}
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[[The_VASP_Manual|Contents]]
[[The_VASP_Manual|Contents]]


[[Category:INCAR]]
[[Category:INCAR]]

Revision as of 10:43, 20 March 2017

NELM = [integer]
Default: NELM = 60 

Description: NELM sets the maximum number of electronic SC (selfconsistency) steps which may be performed.


Normally, there is no need to change the default value: if the self-consistency loop does not converge within 40 steps, it will probably not converge at all. In this case you should reconsider the tags IALGO or ALGO, LSUBROT, and the mixing-parameters.

Related Tags and Sections

NELMDL, NELMIN

Examples that use this tag


Contents