Example: TDHF excitation energies: N2
*************************************

"Download N2_TDHF.run"

   #! /bin/sh


   # Calculation of the excitation energies of N2 using time-dependent Hartree-Fock
   # (TDHF). It also shows the possibility to use the Tamm-Dancoff approximation
   # (TDA). This examples consists of 4 calculations:

   # TDHF non-relativistic and spin-orbit coupled
   # TDA non-relativistic and spin-orbit coupled (CIS)


   # == TDHF non-relativistic ==


   AMS_JOBNAME=TDHF_NR $AMSBIN/ams <<eor
   System
     symmetrize
     atoms
        N 0 0 0
        N 0 0 1.0977
     end
   end

   Task SinglePoint

   Engine ADF
     beckegrid
       quality Good
     end
     excitations
       lowest 5
     end
     basis
       core None
       type DZ
     end
     xc
       hartreefock
     end
     Relativity
       Level None
     End
   EndEngine
   eor



   # == TDHF spin-orbit coupled ==


   AMS_JOBNAME=TDHF_SO $AMSBIN/ams <<eor
   System
     symmetrize
     atoms
        N 0 0 0
        N 0 0 1.0977
     end
   end

   Task SinglePoint

   Engine ADF
     beckegrid
       quality Good
     end
     excitations
       lowest 20
     end
     basis
       core None
       type DZ
     end
     relativity
       level spin-orbit
       formalism ZORA
     end
     xc
       hartreefock
     end
   EndEngine
   eor



   # == TDA non-relativistic ==


   AMS_JOBNAME=TDA_NR $AMSBIN/ams <<eor
   System
     symmetrize
     atoms
        N 0 0 0
        N 0 0 1.0977
     end
   end

   Task SinglePoint

   Engine ADF
     beckegrid
       quality Good
     end
     excitations
       lowest 5
     end
     basis
       core None
       type DZ
     end
     tda
     xc
       hartreefock
     end
     Relativity
       Level None
     End
   EndEngine
   eor



   # == TDA spin-orbit coupled ==


   AMS_JOBNAME=TDA_SO $AMSBIN/ams <<eor
   System
     symmetrize
     atoms
        N 0 0 0
        N 0 0 1.0977
     end
   end

   Task SinglePoint

   Engine ADF
     beckegrid
       quality Good
     end
     excitations
       lowest 20
     end
     basis
       core None
       type DZ
     end
     relativity
       level spin-orbit
       formalism ZORA
     end
     tda
     xc
       hartreefock
     end
   EndEngine
   eor
