NELM: Difference between revisions
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== Example Calculations using this Tag == | == Example Calculations using this Tag == | ||
{{TAG|bandgap of Si in GW}}, {{TAG|bandstructure of SrVO3 in GW}}, {{TAG|dielectric properties of Si}} | {{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 11:18, 24 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, Dielectric properties of Si using BSE, Equilibrium volume of Si in the RPA, Model BSE calculation on Si, Si HSE bandstructure