#! /bin/sh
# Example shows an NBO analysis of an NMR shielding calculation for CH4.
# Some keywords are necessary because of the NBO analysis afterwards. A 'Good'
# integration grid is used. First the scalar relativistic calculation is
# performed and the scalar relativistic localized orbitals are made. Next the
# spin-orbit coupled ADF calculation is done, and a calculation of NMR shielding
# constants is performed with an analysis in scalar relativistic localized
# orbitals.
AMS_JOBNAME=Scalar $AMSBIN/ams <