DQ: Difference between revisions

Latest revision as of 15:51, 3 March 2025

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.

Revision as of 14:10, 8 April 2022 (view source) Karsai (talk \| contribs) No edit summary ← Older edit		Latest revision as of 15:51, 3 March 2025 (view source) Csheldon (talk \| contribs) No edit summary
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	[[Category:INCAR tag]][[Category:NMR~~]][[Category:Chemical shifts~~]]		[[Category:INCAR tag]][[Category:NMR]]