LELF: Difference between revisions
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the {{FILE|INCAR}} file in addition | the {{FILE|INCAR}} file in addition | ||
== Related | == Related tags and articles == | ||
{{TAG|NPAR}} | {{TAG|NPAR}} | ||
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<ref name="silvi:nature:371">[http://www.nature.com/nature/journal/v371/n6499/pdf/371683a0.pdf B. Silvi and A. Savin, Nature 371, 683-686 (1994).]</ref> | <ref name="silvi:nature:371">[http://www.nature.com/nature/journal/v371/n6499/pdf/371683a0.pdf B. Silvi and A. Savin, Nature 371, 683-686 (1994).]</ref> | ||
</references> | </references> | ||
[[Category:INCAR]][[Category:Electronic | [[Category:INCAR tag]][[Category:Electronic ground-state properties]] | ||
Latest revision as of 11:33, 18 October 2024
LELF = .TRUE. | .FALSE.
Default: LELF = .FALSE.
Description: LELF determines whether to create an ELFCAR file or not.
This file contains the so-called ELF (electron localization function) [1]
If LELF is set, NPAR=1 has to be set explicitely in the INCAR file in addition