ICHIBARE: Difference between revisions
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Revision as of 14:16, 5 December 2012
ICHIBARE = 1 | 2 | 3
Default: ICHIBARE = 1
Description: determines the order of the finite difference stencil used to calculate the magnetic susceptibility.
ICHIBARE specifies the order of the finite difference stencil used to calculate the magnetic susceptibility (second order derivative in Eq. 47 of Yates et al.[1]). ICHIBARE may be set to 1, 2, or 3. Often the default (ICHIBARE=1) is sufficient. A higher ICHIBARE results in a substantial increase of the computational load.
Related Tags and Sections
LCHIMAG, DQ, LNMR_SYM_RED, NLSPLINE