In many cases of organic crystals, there exists a partial occupancy issue in which some atoms (e.g., H) have chances to fill different position. Ideally, we still want to output the structure for those fixed positions and then randomly choose one site for atoms with some probabilities.
In many cases of organic crystals, there exists a partial occupancy issue in which some atoms (e.g., H) have chances to fill different position. Ideally, we still want to output the structure for those fixed positions and then randomly choose one site for atoms with some probabilities.