LNICSALL

From VASP Wiki
Revision as of 14:19, 21 March 2025 by Csheldon (talk | contribs) (Csheldon moved page Construction:LNICSALL to LNICSALL)
(diff) ← Older revision | Latest revision (diff) | Newer revision → (diff)

LNICSALL = .TRUE. | .FALSE.
Default: LNICSALL = .FALSE. 

Description: LNICSALL=.TRUE. calculates the NICS at the positions on the fine FFT grid NGXF x NGYF x NGZF.


   Warning: Not yet released!

This page contains information about a feature that will be available in a future release of VASP. In other words, currently you cannot use it even with the latest version of VASP. The information may change significantly until it is released.

LNICSALL=.TRUE. ensures that the FFT grid NGXF x NGYF x NGZF is used to calculate the NICS (nucleus-independent chemical shift) points. These chemical shieldings will be printed to NICS.

Mind: If LNICSALL = True is set, and POSNICS is also present, LNICSALL will take precedent.

Related tags and articles

LCHIMAG, NUCIND, NICS