Category:INCAR: Difference between revisions

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{{TAGDEF|LELF|.TRUE. {{!}} .FALSE. |.FALSE.}}
Description: {{TAG|LELF}} determines whether to create an
{{FILE|ELFCAR}} file or not.
----
This file contains the so-called ELF (electron localization
function) <ref name="silvi:nature:371"/>
If {{TAG|LELF}} is set, {{TAG|NPAR}}=1 has to be set explicitely in
the {{FILE|INCAR}} file in addition
== Related Tags and Sections ==
{{TAG|NPAR}}
== References ==
<references>
<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>
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[[The_VASP_Manual|Contents]]
[[The_VASP_Manual|Contents]]


[[Category:VASP|INCAR]]
[[Category:VASP|INCAR]]

Revision as of 10:28, 22 May 2013

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

Related Tags and Sections

NPAR

References

  1. [http://www.nature.com/nature/journal/v371/n6499/pdf/371683a0.pdf B. Silvi and A. Savin, Nature 371, 683-686 (1994).]
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Contents

Pages in category "INCAR"

The following 7 pages are in this category, out of 7 total.