LNMRLEG

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Revision as of 14:06, 21 March 2025 by Csheldon (talk | contribs)

LNMRLEG = .TRUE.| .FALSE. 

Default: LNMRLEG = .FALSE.

Description: LNMRLEG controls whether VASP prints NMR properties to OUTCAR according to the old format (pre-version 6.5.2).


   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.

In legacy mode, the chemical shift (the negative of the chemical shielding) is always printed, even if LNMRSHIELD = .TRUE..

Related tags and articles

LCHIMAG