Example: Spin-Orbit unrestricted non-collinear: Tl
**************************************************

"Download Tl_noncollinear.run"

   #! /bin/sh


   # Application of the Spin-Orbit relativistic option (using double-group
   # symmetry, in this case NOSYM) to Tl using the collinear and non-collinear
   # approximation for unrestricted Spin-Orbit calculations

   # Note: For the collinear and the non-collinear approximation one should use
   # symmetry NOSYM and use the key UNRESTRICTED.

   # == Tl scalar restricted ==

   AMS_JOBNAME=Scalar $AMSBIN/ams <<eor
   System
     atoms
        Tl 0 0 0
     end
   end

   Task SinglePoint

   Engine ADF
     title Tl scalar restricted
     beckegrid
       quality good
     end
     basis
       PerAtomType Symbol=Tl File=ZORA/TZ2P/Tl.4f
       CreateOutput Yes
     end
     relativity
       level scalar
       formalism ZORA
     end
     xc
       gga Becke Perdew
     end
   EndEngine

   eor

   # == Tl spinorbit restricted ==

   AMS_JOBNAME=SpinOrbit_Restricted $AMSBIN/ams <<eor
   System
     atoms
        Tl 0 0 0
     end
   end

   Task SinglePoint

   Engine ADF
     title Tl spinorbit restricted
     beckegrid
       quality good
     end
     eprint
       sfo eig
     end
     fragments
        Tl Scalar.results/adf.rkf
     end
     relativity
       level spin-orbit
       formalism ZORA
     end
     xc
       gga becke perdew
     end
   EndEngine

   eor

   # == Tl spinorbit collinear z-axis ==

   AMS_JOBNAME=SpinOrbit_Collinear $AMSBIN/ams <<eor
   System
     atoms
        Tl 0 0 0
     end
   end

   Task SinglePoint

   Engine ADF
     title Tl spinorbit collinear z-axis
     beckegrid
       quality good
     end
     eprint
       sfo eig
     end
     fragments
        Tl Scalar.results/adf.rkf
     end
     relativity
       level spin-orbit
       formalism ZORA
       spinorbitmagnetization collinear
     end
     symmetry nosym
     unrestricted
     xc
       gga becke perdew
     end
   EndEngine

   eor

   # == Tl spinorbit noncollinear ==

   AMS_JOBNAME=SpinOrbit_NonCollinear $AMSBIN/ams <<eor
   System
     atoms
        Tl 0 0 0
     end
   end

   Task SinglePoint

   Engine ADF
     title Tl spinorbit noncollinear
     beckegrid
       quality good
     end
     eprint
       sfo eig
     end
     fragments
        Tl Scalar.results/adf.rkf
     end
     relativity
       level spin-orbit
       formalism ZORA
       spinorbitmagnetization noncollinear
     end
     symmetry nosym
     unrestricted
     xc
       gga becke perdew
     end
   EndEngine

   eor

   # == Tl spinorbit noncollinear ==

   AMS_JOBNAME=SpinOrbit_SOUEXACT $AMSBIN/ams <<eor
   System
     atoms
        Tl 0 0 0
     end
   end

   Task SinglePoint

   Engine ADF
     title Tl spinorbit noncollinear
     beckegrid
       quality good
     end
     eprint
       sfo eig
     end
     fragments
        Tl Scalar.results/adf.rkf
     end
     relativity
       level spin-orbit
       formalism ZORA
       spinorbitmagnetization noncollinear
       souexact
     end
     symmetry nosym
     unrestricted
     xc
       gga becke perdew
     end
   EndEngine

   eor
