LIBMBD N OMEGA GRID: Difference between revisions

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Revision as of 11:31, 19 March 2024

LIBMBD_N_OMEGA_GRID = [integer]
Default: LIBMBD_N_OMEGA_GRID = 15 (default in libMBD) 

Description: LIBMBD_N_OMEGA_GRID sets the number of points on the grid of imaginary frequencies used in the library libMBD of many-body dispersion methods[1][2][3].


LIBMBD_N_OMEGA_GRID allows to choose the number of points on the grid of imaginary frequencies used in the library libMBD of many-body dispersion methods. The value is internally passed to the libMBD input n_omega_grid described 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.

Related tags and articles

LIBMBD_METHOD

Examples that use this tag

References