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LNICSALL

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Revision as of 13:50, 10 March 2026 by Csheldon (talk | contribs)
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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.


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.

Related tags and articles

LCHIMAG, NUCIND, NICS, tutorial