DQ: Difference between revisions

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


== Related Tags and Sections ==
== Related tags and articles ==
{{TAG|LCHIMAG}},
{{TAG|LCHIMAG}},
{{TAG|ICHIBARE}},
{{TAG|ICHIBARE}},
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{{sc|DQ|Examples|Examples that use this tag}}
{{sc|DQ|Examples|Examples that use this tag}}


== Example Calculations using this Tag ==
{{TAG|Alpha-AlF3}}, {{TAG|Alpha-SiO2}}
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[[The_VASP_Manual|Contents]]
[[Category:INCAR tag]][[Category:NMR]][[Category:Chemical shifts]]
 
[[Category:INCAR]]

Latest revision as of 14:10, 8 April 2022

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