Example: Fixing the band gap of ZnS with the TB-mBJ model potential
*******************************************************************

"Download ZnS_ModelPotential.run"

   #! /bin/sh

   # With the XC subkey model we invoke the so-called TB-mBJ model potential, which
   # increases band gaps for solids.



   AMS_JOBNAME=TB-mBJ $AMSBIN/ams <<eor

   Task SinglePoint

   System
      ATOMS
         Zn  0.0000  0.0000  0.0000
         S   1.3525  1.3525  1.3525
      END

      Lattice
         0.000  2.705  2.705
         2.705  0.000  2.705
         2.705  2.705  0.000
      End
   End

   Engine Band 
      TITLE ZnS pot=TB-mBJ

      scf method=DIIS

      XC
         model TB-mBJ
      END

      Basis
         Type DZ
         Core Large
      End
   EndEngine
   eor


   AMS_JOBNAME=GLLB-SC $AMSBIN/ams <<eor

   Task SinglePoint

   System
      ATOMS
         Zn  0.0000  0.0000  0.0000
         S   1.3525  1.3525  1.3525
      END
      Lattice
         0.000  2.705  2.705
         2.705  0.000  2.705
         2.705  2.705  0.000
      End
   End

   Engine Band 
      TITLE ZnS pot=GLLB-SC

      scf method=DIIS

      XC
         model GLLB-SC
      END

      Basis
         Type DZ
         Core Large
      End
   EndEngine
   eor


   AMS_JOBNAME=lb94 $AMSBIN/ams <<eor

   Task SinglePoint

   System
      Atoms 
      H       0.000000000     0.000000000    -0.370500000 
      H       0.000000000     0.000000000     0.370500000 
      End 
   End

   Engine Band 
      Title H2 pot=lb94

      scf method=DIIS

      XC
          model lb94
      end

      Basis
         Type TZP
         Core Large
      End
   EndEngine
   eor

