LVHAR: Difference between revisions
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{{TAGDEF|LVHAR|[logical]|.FALSE.}} | {{TAGDEF|LVHAR|[logical]|.FALSE.}} | ||
Description (for VASP.5.2.12 and higher): This tag determines whether the total local potential (saved | Description (for VASP.5.2.12 and higher): This tag determines whether the total local potential (saved to the file {{TAG|LOCPOT}}) contains the entire local Kohn-Sham potential (ionic + Hartree + exchange correlation) or the electrostatic contributions only (ionic + Hartree, {{TAG|LVHAR}}=.TRUE.). If {{TAG|LVHAR}}=.TRUE. is set in the INCAR file, the file {{TAG|LOCPOT}} is written and it contains only | ||
the electrostatic contribution to the local potential. Use {{TAG|LVTOT}} to | the electrostatic contribution to the local potential. | ||
Use {{TAG|LVTOT}}=.TRUE. to include the exchange correlation contribution to the local potential as well. | |||
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Revision as of 15:52, 20 January 2021
LVHAR = [logical]
Default: LVHAR = .FALSE.
Description (for VASP.5.2.12 and higher): This tag determines whether the total local potential (saved to the file LOCPOT) contains the entire local Kohn-Sham potential (ionic + Hartree + exchange correlation) or the electrostatic contributions only (ionic + Hartree, LVHAR=.TRUE.). If LVHAR=.TRUE. is set in the INCAR file, the file LOCPOT is written and it contains only the electrostatic contribution to the local potential. Use LVTOT=.TRUE. to include the exchange correlation contribution to the local potential as well.
This tag is available in VASP.5.2.12 and newer versions. See LOCPOT to find out how to write only the electrostatic contributions on LOCPOT for older versions of VASP.