Example: Convenient way to specify a basis set
**********************************************

"Download BasisDefaults.run"

   #! /bin/sh

   # This example shows some of the flexibility of the Basis key. The
   # defaults are set to a DZ basis set with a Large frozen core. As the example
   # shows, it is possible to override the defaults per atom type or to directly
   # specify basis set files for particular atom types.

   $AMSBIN/ams <<eor

   Task SinglePoint

   System
      Atoms [Bohr]
         C       0.0   0.0   0.0 region=C
         O       0.0   2.13  0.0 region=O.large_basis
         H       4.0   0.0   0.0 region=H.large_basis
         H       4.0   1.43  0.0 region=H.custom
      End
   End

   Engine Band
      Title CO + H2: fine tuning the basis defaults

      NumericalQuality Basic

      Basis
         ! Cheap defaults
         Type DZ
         Core Large
         PerRegion Region=C              Core=None    ! This C has no frozen core
         PerRegion Region=O.large_basis  Type=TZ2P    ! This O with a larger basis
         PerRegion Region=H.large_basis  Type=V       ! This one also with a larger basis
         PerRegion Region=H.custom       File=DZ/H
      End
   EndEngine
   eor
