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> | |||
---- | |||
[[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
References
- ↑ [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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