LSFBXC: Difference between revisions
(Created page with "{{TAGDEF| LSFBXC |.TRUE. {{!}} .FALSE.|.FALSE.}} Description: Removes sources and drains from the exchange-correlation B field. ---- With {{TAG|LSFBXC}}=T, the sources and drains are removed from the exchange-correlation (XC) B field{{cite|sharma:jctc:2018}} at each step of the electronic minimization. Thus, any XC potential can be constrained to correspond to a Maxwellian magnetic field at the cost of becoming a potential-only XC functional, sinc...") |
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== Related tags and articles == | == Related tags and articles == | ||
{{TAG|XC}}, {{TAG|GGA}} | {{TAG|XC}}, {{TAG|GGA}} | ||
==References== | |||
[[Category:INCAR tag]][[Category:Exchange-correlation functionals]][[Category:Magnetism]] | [[Category:INCAR tag]][[Category:Exchange-correlation functionals]][[Category:Magnetism]] | ||
Latest revision as of 07:26, 20 December 2024
LSFBXC = .TRUE. | .FALSE.
Default: LSFBXC = .FALSE.
Description: Removes sources and drains from the exchange-correlation B field.
With LSFBXC=T, the sources and drains are removed from the exchange-correlation (XC) B field[1] at each step of the electronic minimization. Thus, any XC potential can be constrained to correspond to a Maxwellian magnetic field at the cost of becoming a potential-only XC functional, since there is no correction applied to the XC energy.