LVHAR: Difference between revisions

Revision as of 15:05, 16 January 2017

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.

Contents

Revision as of 15:05, 16 January 2017 (view source) Karsai (talk \| contribs) (Created page with "{{TAGDEF\|VHAR\|[logical]\|.FALSE.}} Description: This tag determines whether the total local potential (saved in the file {{TAG\|LOCPOT}} contains the entire local potential (io...")		Revision as of 15:05, 16 January 2017 (view source) Karsai (talk \| contribs) No edit summary Newer edit →
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	{{TAGDEF\|~~VHAR~~\|[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).