Example: unrestricted MP2: Li¶

#! /bin/sh

# unrestricted MP2 calculation for Li

$AMSBIN/ams << eor
System
  Atoms
     Li      0.0000000000      0.0000000000      0.0000000000 
  End
End

task SinglePoint

Engine adf
  SpinPolarization 1
  Unrestricted Yes
  basis
     Core None
     Type DZP
  End
  xc
    mp2
  End
EndEngine
eor