I'm using LAMMPS to get polymer material properties, but I can't find a command to output information corresponding to dielectric constant. Is there any way to realize that ? A thousand thanks!!!
I do not kown the details of LAMMPS, but you should start somwhere with the calculation of the Kirkwood factor. Some papers on the molecular dynamics calculation of dielectric constant:
Article MOLECULAR-DYNAMICS CALCULATION OF THE DIELECTRIC-CONSTANT .3...
Article On the accurate calculation of the dielectric constant from ...