NELM: Difference between revisions
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{{TAG|NELMIN}} | {{TAG|NELMIN}} | ||
== Example Calculations using this Tag == | |||
{{TAG|bandgap of Si in GW}}, {{TAG|bandstructure of SrVO3 in GW}}, {{TAG|dielectric properties of Si}} | |||
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[[The_VASP_Manual|Contents]] | [[The_VASP_Manual|Contents]] | ||
[[Category:INCAR]] | [[Category:INCAR]] | ||
Revision as of 15:34, 15 February 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
Example Calculations using this Tag
bandgap of Si in GW, bandstructure of SrVO3 in GW, dielectric properties of Si