Example: DFT-1/2 method for Silicon
***********************************

"Download DFTHalf_Si.run"

   #! /bin/sh

   "$AMSBIN/ams" <<eor

   Task SinglePoint
   System
      Atoms
         Si -0.67875 -0.67875 -0.67875
         Si  0.67875  0.67875  0.67875
      End
      Lattice
         0.0 2.715 2.715
         2.715 0.0 2.715
         2.715 2.715 0.0
      End
   End

   Engine BAND

      # To get better results one should use a larger basis set and
      # a better k-space quality (e.g. 'Basis Type=TZ2P' and 'KSpace Quality=Good')

      Basis Type=DZP

      XC
         LDA SCF VWN
         DFTHalf
            Enabled Yes
            ActiveAtomtype 
               AtomType Si
               IonicCharge 0.1
               ScreeningCutOffs 2.0 4.0 6.0 
            End
         End
      End
   EndEngine
   eor

