LVHAR: Difference between revisions

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Latest revision as of 15:42, 10 June 2024

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

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


where is the ionic potential as mimicked by the pseudopotentials and is the Hartree potential.

The local potential is written to the LOCPOT file and hence to the same file as the local potential for LVTOT=T. Carefully check that the LOCPOT file contains the potential you expect. WRT_POTENTIAL also gives access to the ionic and Hartree potentials and offers more options.

Warning: Setting LVHAR=True will set LVTOT=False.

See LOCPOT to find out how to write in VASP < 5.2.12.

Related tags and articles

Computing the work function, LVTOT, LOCPOT, WRT_POTENTIAL, LVACPOTAV

Examples that use this tag