Can DMol3 keep the structure's symmetry when doing a molecular dynamics calculation? I have lost symmetry every time even when I specifiy symmetry on in the input file. Is there another keyword to use for MD calculations or is it not possible?
Can DMol3 keep the structure's symmetry when doing a molecular dynamics calculation? I have lost symmetry every time even when I specifiy symmetry on in the input file. Is there another keyword to use for MD calculations or is it not possible?
