#!/bin/sh
# Application of a spin-orbit coupled relativistic excitation energy calculation
# for an open-shell system. Note that the used method used is highly
# approximate. In this example the effect of spin-orbit coupling is large, in
# which case this method can be of use.
# First a scalar relativistic calculation is performed with symmetry. The
# resulting scalar relativistic adf.rkf file is used as fragment in the spin-orbit
# coupled calculation. Using a scalar relativistic fragment is not necessary,
# but makes the identification of the spin-orbit coupled results easier.
AMS_JOBNAME=PbF_SR $AMSBIN/ams <