LIBMBD_K_GRID_SHIFT

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LIBMBD_K_GRID_SHIFT = [real]
Default: LIBMBD_K_GRID_SHIFT = 0.5 (default in libMBD) 

Description: LIBMBD_K_GRID_SHIFT sets the shift for the k-mesh of the collective oscillations defined in the methods available in the library libMBD of many-body dispersion methods[1][2][3].


LIBMBD_K_GRID_SHIFT allows to choose a shift for the k-mesh of the collective oscillations defined in the methods available in the library libMBD of many-body dispersion methods. The value is internally passed to the libMBD input k_grid_shift 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, LIBMBD_K_GRID

Examples that use this tag

References