LIBMBD METHOD: Difference between revisions

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[[Category:INCAR tag]][[Category:Exchange-correlation functionals]][[Category:van der Waals functionals]]
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Revision as of 11:22, 7 February 2024

LIBMBD_METHOD = [string]
Default: LIBMBD_METHOD = mbd-rsscs (default in libMBD) 

Description: LIBMBD_METHOD selects one of the van der Waals methods available in the library libMBD of many-body dispersion methods[1][2][3].


LIBMBD_METHOD can be set to a label (string) corresponding to one of the methods listed on the libMBD website (see method at the page [4]).

Important: This feature is available from VASP.6.5.0 onwards that needs to be compiled with -DLIBMBD.

libMBD is a separate library package that has to be downloaded[2] and compiled before VASP is compiled with the corresponding precompiler options and links to the libraries.

Examples that use this tag

References