THIS INFORMATION IS OBSOLETE AND IS PROVIDED ONLY FOR ITS HISTORICAL VALUE

A practical problem in computational chemistry calculations is determining the Cartesian coordinates of crystal clusters for a given surface. The various surfaces of a crystal can be described by their Miller indices. Terraces belonging to a complex surface can be characterized by the Miller indices as well.

This program rotates terraces belonging to a given crystal surface parallel to the x-y plane of the Cartesian coordinate system. PSD provides one with the possibility of getting the input for quantum mechanical studies of huge clusters and adsorbed species on complex surfaces in a convenient way.

FORTRAN 77 (Microsoft v. 3.2 or later) Lines of Code: 530