#!/bin/sh
# MP2 results are calculated for I2 and the open shell atom I, such
# that the atomization energy of I2 can be calculated.
# The relativistic RA-X2C method is used and spin-orbit coupling is included.
# Remark: the atomization energy will be almost the same if one would compare
# the results for the relativistic methods ZORA, X2C, and RA-X2C in case
# spin-orbit coupling is included.
AMS_JOBNAME=I2 $AMSBIN/ams <