LIBMBD_N_OMEGA_GRID

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

Description: LIBMBD_N_OMEGA_GRID is the number of points on the grid of imaginary frequencies for the van der Waals methods available in the library libMBD of many-body dispersion methods[1][2][3].


LIBMBD_N_OMEGA_GRID can be set to a integer corresponding to the number of points on the grid of imaginary frequencies for the van der Waals methods available in the library libMBD of many-body dispersion methods[1][2][3]. (see n_omega_grid 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