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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.
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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