Example: RPASOX@PBE0 calculation: H2O

Download RPA-SOSSX_H2O.run

#! /bin/sh

$AMSBIN/ams << eor
Symmetry
  SymmetrizeTolerance 0.001
End

System
  Atoms
    O    2.220871067   0.026716792   0.000620476
    H    2.597492682  -0.411663274   0.766744858
    H    2.593135384  -0.449496183  -0.744782026
  End
  Symmetrize Yes
End

task SinglePoint

Engine adf
  symmetry nosym
  Basis
    Core None
    Type TZ2P
  end
  NumericalQuality GOOD    
  Relativity
    Level None
  End
  XC
    hybrid pbe0
    RPA SOSSX
  end
EndEngine
eor