1 Dual Lattice Force Fields

Currently, only one force field is implemented to optimise a structure’s dual lattice. The total energy of a system is given by the sum of pair interaction energies:

$ \displaystyle \phi = \sum _{i=1}^{N_{D}}\sum _{j=i+1}^{N_{D}}\frac{1}{| \boldsymbol {\mathrm{r_ i}}-\boldsymbol {\mathrm{r_ j}}| } $