LIBMBD METHOD: Difference between revisions

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Description: {{TAG|LIBMBD_METHOD}} selects one of the van der Waals methods available in the library libMBD of many-body dispersion methods{{cite|libmbd_1}}{{cite|libmbd_2}}{{cite|hermann:jcp:2023}}.
Description: {{TAG|LIBMBD_METHOD}} selects one of the van der Waals methods available in the library libMBD of many-body dispersion methods{{cite|libmbd_1}}{{cite|libmbd_2}}{{cite|hermann:jcp:2023}}.
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{{NB|important| This feature is available from VASP.6.5.0 onwards that needs to be compiled with [[Precompiler_options#-DLibmbd|-DLibmbd]].}}
{{NB|important| This feature is available from VASP.6.5.0 onwards that needs to be compiled with [[Precompiler_options#-DLibmbd|-DLibmbd]].}}
{{TAG|LIBMBD_METHOD}} can be set to a label (string) corresponding to one of the methods listed on the libMBD website{{cite|libmbd_input}}.
{{TAG|LIBMBD_METHOD}} can be set to a label (string) corresponding to one of the methods listed on the libMBD website{{cite|libmbd_input}}.


libMBD is a separate library package that has to be downloaded{{cite|libxc}} and compiled before VASP is compiled with the corresponding [[Precompiler_options#-DUSELIBXC|precompiler options]] and [[Makefile.include#Libxc_.28optional.29|links to the libraries]].
libMBD is a separate library package that has to be downloaded{{cite|libmbd_2}} and compiled before VASP is compiled with the corresponding [[Precompiler_options#-DLibmbd|precompiler options]] and [[Makefile.include#libMBD_.28optional.29|links to the libraries]].
 
 
 


{{sc|LIBMBD_METHOD|Examples|Examples that use this tag}}
{{sc|LIBMBD_METHOD|Examples|Examples that use this tag}}
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[[Category:INCAR tag]][[Category:VASP|van der Waals]][[Category:Exchange-correlation functionals]]

Revision as of 10:43, 2 February 2024

LIBMBD_METHOD = [string] 

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



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

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

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