#! /bin/sh
# Example shows a Hartree-Fock calculation with a non-relativistic, scalar relativistic ZORA,
# and a spin-orbit coupled ZORA Hamiltonian. In this case ADF also calculates
# the electric field gradient (EFG) at the H and I nuclei (keyword QTENS).
# First the non-relativistic calculation.
# Note that in this case the all-electron basis sets are obtained from the $AMSRESOURCES/ADF/ZORA directory
# == non-relativistic ==
AMS_JOBNAME=NR $AMSBIN/ams <