Example: Generating an Excited State with and Electron Hole
***********************************************************

"Download Si_ElectronHole.run"

   #! /bin/sh

   # There is the possibility define the excitation of an electron from a low
   # lying, localized band to a virtual band. The ElectronHole key does allow the
   # specification of the original band and the spin of the electron. The
   # EnforcedSpinPolarization key allows to restrict the spin polarization of the
   # whole system.

   $AMSBIN/ams <<eor

   Task SinglePoint

   System
     Atoms
       Si -0.67875 -0.67875 -0.67875 region=frozen_core
       Si  0.67875  0.67875  0.67875
     End
     Lattice
         0.000  2.715  2.715
         2.715  0.000  2.715
         2.715  2.715  0.000
     End
   End

   Engine Band

     TITLE Untitled

     Basis
       Type DZP
       Core None
       PerRegion Region=frozen_core Type=DZP Core=Large
     End

     XC
        LDA SCF VWN
     END

     Unrestricted Yes

     ElectronHole
         BandIndex 1
         SpinIndex 1
     End

     EnforcedSpinPolarization 0
   EndEngine
   eor
