# 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.

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

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

Basis
Type DZ
Core None
End

XC
gga always pbe
END
EndEngine
eor