LIBMBD_N_OMEGA_GRID

From VASP Wiki
Revision as of 13:57, 19 March 2024 by Ftran (talk | contribs)
(diff) ← Older revision | Latest revision (diff) | Newer revision → (diff)

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.6.4.3 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