Basics The program generates various ice lattice with proton disorder and without defect. The total dipole moment is always set to zero (except in the case you specify--depoloption). The minimal structure (with --rep 1 1 1 option) is not always the unit cell of the lattice because it ...
Basics The program generates various ice lattice with proton disorder and without defect. The total dipole moment is always set to zero (except in the case you specify --depol option). The minimal structure (with --rep 1 1 1 option) is not always the unit cell of the lattice because it...