LWRT_AUGMENTED_DENSITY

From VASP Wiki
Revision as of 09:30, 12 March 2026 by Huebsch (talk | contribs) (Created page with "{{TAGDEF|LWRT_AUGMENTED_DENSITY|.TRUE. {{!}} .FALSE.|.TRUE.}} {{DISPLAYTITLE:LWRT_AUGMENTED_DENSITY}} Description: Switch for {{TAG|WRT_DENSITY}} to write without augmentation (compensation charge=0). ---- With {{TAG|LWRT_AUGMENTED_DENSITY|F}} the densities can be written without augmentation (compensation charge=0). Mind that the augmented densities are still used during electronic minimization to evaluate the XC functional (unlike for the MGGA spec...")
(diff) ← Older revision | Latest revision (diff) | Newer revision → (diff)

LWRT_AUGMENTED_DENSITY = .TRUE. | .FALSE.
Default: LWRT_AUGMENTED_DENSITY = .TRUE. 


Description: Switch for WRT_DENSITY to write without augmentation (compensation charge=0).

With LWRT_AUGMENTED_DENSITY = F the densities can be written without augmentation (compensation charge=0). Mind that the augmented densities are still used during electronic minimization to evaluate the XC functional (unlike for the MGGA specific tag LNOAUGXC).

Related tags and articles

WRT_DENSITY, ENCUT, NGXF, NGYF, NGZF

Workflows that use this tag

Retrieved from "https://vasp.at/wiki/index.php?title=LWRT_AUGMENTED_DENSITY&oldid=34639"