LVHAR: Difference between revisions
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{{TAGDEF|LVHAR|[logical]|.FALSE.}} | {{TAGDEF|LVHAR|[logical]|.FALSE.}} | ||
Description: This tag determines whether the total local potential (saved in the file {{TAG|LOCPOT}} contains the entire local potential (ionic + Hartree + exchange correlation) or the electrostatic contributions only (ionic + Hartree). | Description: This tag determines whether the total local potential (saved in the file {{TAG|LOCPOT}}) contains the entire local potential (ionic + Hartree + exchange correlation) or the electrostatic contributions only (ionic + Hartree). | ||
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Revision as of 10:22, 19 April 2019
LVHAR = [logical]
Default: LVHAR = .FALSE.
Description: This tag determines whether the total local potential (saved in the file LOCPOT) contains the entire local potential (ionic + Hartree + exchange correlation) or the electrostatic contributions only (ionic + Hartree).
This tag is available in VASP.5.2.12 and newer version. Note that in VASP.5.2.12, the default is to write the entire local potential, including the exchange correlation potential.