LNMRLEG

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.

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

Related tags and articles