GHz / THz dielectric spectrum anisotropy

GROMACS version: 2019.3
GROMACS modification: No

Hello, I would like to calculate the complex dielectric function (in GHz-THz range) of an anisotropic system. “gmx dipoles” followed by “gmx dielectric” yields frequency-depended dielectric constants from the autocorrelation function of the total dipole moment. But these are scalar (isotropic) values. Is it possible to calculate the x,y,z components separately?

Michal Krompiec

Merck KGaA