THIS INFORMATION IS OBSOLETE AND IS PROVIDED ONLY FOR ITS HISTORICAL VALUE

by George P. Lozos, Brian M. Hoffman and Charles G. Franz, Chemistry Department, Northwestern University, Evanston, Illinois 60201

This program simulates and plots powder EPR spectra from input spin Hamiltonian parameters assuming a random orientation of doublet spins (S = 1/2) and integrating over an octant of the unit sphere. SIM14 does axial systems to second order and nonaxial systems to first order; SIM14A does both systems to second order but requires more core. Species with more than one nucleus may be simulated. Provision is made for summing independent species.

As plotting systems vary from installation to installation, the subroutine which does the plotting will have to be modified by most users.

FORTRAN IV (CDC) Lines of Code: 1639 Recommended Citation: G. P. Lozos et al, QCPE 11, 265 (1974).