LVTOT: Difference between revisions

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[[Category:INCAR tag]][[Category:Electronic minimization]][[Category:Potential]]
[[Category:INCAR tag]][[Category:Electronic minimization]][[Category:Electronic ground-state properties]][[Category:Potential]]

Revision as of 11:59, 11 June 2024

LVTOT = [logical]
Default: LVTOT = .FALSE. 

Description: Determines whether the total local potential (in eV) is written to the LOCPOT file.


where is the ionic potential, the second term is the Hartree potential, and is the (semi-)local exchange-correlation potential.

If LVTOT=.TRUE., the is written to the LOCPOT file and the POT file. The POT file additionally contains the augmentation part.

Warning: LVHAR=T changes the content of the LOCPOT file.

WRT_POTENTIAL also gives access to the total local potential and offers more options.

Related tags and articles

Computing the work function, LVHAR, LOCPOT, WRT_POTENTIAL, LVACPOTAV, POT

Examples that use this tag