Example: Geometry optimization following a specific excited state
*****************************************************************

"Download GO_LR-TDDFTB_CO_eigenfollow.run"

   #!/bin/sh

   # This test optimizes the 1st and 3rd triplet excitation of
   # carbon monoxide. The difficult thing about these two is
   # that they change character during the optimization. What
   # is the lowest triplet at the ground state equilibrium will
   # become the third triplet during the optimization and vice
   # versa. We are using the eigenfollow keyword to follow the
   # excitations during the geometry optimization.

   AMS_JOBNAME=followT1 $AMSBIN/ams << eor

   Task GeometryOptimization

   System
       Atoms
         C    0.0000    0.0000    0.0000
         O    1.1000    0.0000    0.0000
       End
   End

   Engine DFTB

      Model SCC-DFTB
      ResourcesDir DFTB.org/mio-1-1

      Properties
          Excitations
              TDDFTB
                  Calc triplet
                  Lowest 10
                  Print EVContribs
              End
              TDDFTBGradients
                  Excitation 1
                  Eigenfollow true
              End
          End
      End

   EndEngine

   Log
      Info TDDFTBExcitationFollowerModule
   End

   eor


   AMS_JOBNAME=followT3 $AMSBIN/ams << eor

   Task GeometryOptimization

   System
       Atoms
         C    0.0000    0.0000    0.0000
         O    1.1000    0.0000    0.0000
       End
   End

   Engine DFTB

      Model SCC-DFTB
      ResourcesDir DFTB.org/mio-1-1

      Properties
          Excitations
              TDDFTB
                  Calc triplet
                  Lowest 10
                  Print EVContribs
              End
              TDDFTBGradients
                  Excitation 3
                  Eigenfollow true
              End
          End
      End

   EndEngine

   Log
      Info TDDFTBExcitationFollowerModule
   End

   eor
