Example: Zero-field splitting (ZFS), ESR D-tensor: NH
*****************************************************

"Download NH_ZFS.run"

   #! /bin/sh


   # The zero-field splitting (ZFS) can be calculated for open shell molecules with
   # electron spin S<=1, using the key ZFS.

   # Only the spin-orbit contribution to ZFS is evaluated. Can be used in
   # combination with LDA and GGAs. RELATIVISTIC ZORA is also required.


   $AMSBIN/ams <<eor
   System
     atoms
        N         0.000000    0.000000    0.007767
        H         0.000000    0.000000   -1.043445
     end
   end

   Task SinglePoint

   Engine ADF
     basis
       type DZP
     end
     numericalquality Good
     relativity
       level scalar
       formalism ZORA
     end
     spinpolarization 2.0
     title NH Zero-field splitting
     unrestricted
     xc
       gga BECKE PERDEW
     end
     zfs
   EndEngine
   eor
