DQ

From VASP Wiki

DQ = [real]
Default: DQ = 0.001 

Description: step size for the finite difference k-space derivative in the linear response calculation of chemical shifts.


Typical values for DQ are in the range [0.001 - 0.003]. The default is often sufficient.

Related tags and articles

LCHIMAG, ICHIBARE, LNMR_SYM_RED, NLSPLINE

Examples that use this tag