Example: ZORA Relativistic Effects: Au2
***************************************

"Download Au2_ZORA.run"

   #! /bin/sh


   # A relativistic geometry optimization with the ZORA formalism. Both a scalar
   # relativistic geometry optimization, as well as a spin-orbit coupled
   # relativistic geometry optimization are performed. Spin-orbit effects on the
   # geometry are often not so large for closed shell molecules, but takes
   # typically a factor 4 times as much as a scalar relativistic calculation.

   AMS_JOBNAME=Au2_GO_scalar $AMSBIN/ams <<eor
   System
     atoms
        Au  0.0  0.0 -1.250
        Au  0.0  0.0  1.250
     end
   end

   Task GeometryOptimization

   GeometryOptimization
     Convergence Gradients=1E-4
   End

   Engine ADF
     basis
       type TZ2P
       core Small
       CreateOutput Yes
     end
     relativity
       level scalar
       formalism ZORA
     end
     xc
       gga Becke Perdew
     end
   EndEngine

   eor


   AMS_JOBNAME=Au2_GO_spinorbit $AMSBIN/ams <<eor
   System
     atoms
        Au  0.0  0.0 -1.250
        Au  0.0  0.0  1.250
     end
   end

   Task GeometryOptimization

   GeometryOptimization
     Convergence Gradients=1E-4
   End

   Engine ADF
     basis
       type TZ2P
       core Small
       CreateOutput Yes
     end
     relativity
       level spin-orbit
       formalism ZORA
     end
   EndEngine

   eor
