Example: spin-orbit coupled MP2: atomization energy I2
******************************************************

"Download I2_SO_MP2.run"

   #!/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 <<eor
   System
     atoms
        I  0 0  1.333
        I  0 0 -1.333
     end
   end

   Task SinglePoint

   engine ADF
     Basis
       Type TZ2P
       Core None
     End
     relativity
       level spin-orbit
       formalism RA-X2C
     end
     xc
       mp2
     end
   endengine
   eor

   AMS_JOBNAME=I_SO $AMSBIN/ams <<eor
   System
     atoms
        I 0.0 0.0 0.0
     end
   end

   Task SinglePoint

   engine ADF
     Basis
       Type TZ2P
       Core None
     End
     relativity
       level spin-orbit
       formalism RA-X2C
       SpinOrbitMagnetization NonCollinear
     end
     unrestricted
     occupations integeraufbau
     symmetry nosym
     xc
       mp2
     end
   endengine
   eor
