NMAXFOCKAE

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Revision as of 13:26, 14 March 2017 by Kresse (talk | contribs)

NMAXFOCKAE = 1|2
Default: NMAXFOCKAE = LMAXFOCKAE  = 2 suffices. For d elements, {TAG|LMAXFOCKAE}} = 4 suffices (a d electron can create a density with l-quantum number of 4), whereas for f elements, users should test whether {TAG|LMAXFOCKAE}} = 4 is required.


Related Tags and Sections

LMAXFOCK


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