DQ: Difference between revisions
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{{sc|DQ|Examples|Examples that use this tag}} | {{sc|DQ|Examples|Examples that use this tag}} | ||
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[[The_VASP_Manual|Contents]] | [[The_VASP_Manual|Contents]] | ||
[[Category:INCAR]] | [[Category:INCAR]] | ||
Revision as of 09:43, 19 March 2017
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 Sections
LCHIMAG, ICHIBARE, LNMR_SYM_RED, NLSPLINE