Example: Properties at nuclei
*****************************

"Download PropertiesAtNuclei.run"

   #!/bin/sh

   # One can obtain the values of some properties near the nucleus. (see
   # PropertiesAtNuclei)

   # Note: Instead of calculating the properties at a point in space an average is
   # taken over a tiny sphere around this point.

   $AMSBIN/ams <<eor

   Task SinglePoint 

   System
      Atoms 
         O   0.000  0.000  0.000
         O   0.000  0.000  1.208
      end
   End

   Engine Band 
      Title Properties at nuclei for O2

      Unrestricted Yes

      PropertiesAtNuclei
         vxc[rho(fit)]
         rho(fit)
         rho
         v(coulomb)
         rho(deformation/fit)
         rho(deformation/scf)
      End

      Basis
         Type DZ
         Core None
      End

      Relativity Level=None

      XC
         gga always pbe
      END
   EndEngine
   eor
