Example: evGW@M06-2X calculation: H2O
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"Download evGW_H2O.run"

   #! /bin/sh

   # eigenvalue-only self-consistent GW calculation for Water.

   # We change here several options in the GW block to illustrate how this works 

   # We chose M06-2X as starting point 
   # We chose good numerical quality. This implies that 20 imaginary time and frequency points each are used 

   # nStates 3
   # ==> We want to print out the 3 highest occupied, and the 3 lowest unoccupied quasi-particle states

   # nDIIS 5
   # ==> We use DIIS to converge the quasi-particle energies (linear mixing is possible as well, but it is not recommended)
   # ==> Per default, the DIIS algorithm in evGW considers the last 10 iterations. We only want 5 here. If for some reason
   # ==> your evGW calculation should not converge, this is the first parameter to look into 

   # Converge HOMO=5e-3 
   # ==> We consider the procedure to be converged when the HOMO quasi-particle energy between 2 iterations does not change
   # ==> by more than 5 meV


   $AMSBIN/ams << eor
   Symmetry
     SymmetrizeTolerance 0.001
   End

   System
     Atoms
       O  0.0000 0.0000 0.0000
       H  0.7571 0.0000 0.5861
       H -0.7571 0.0000 0.5861
     End
     Symmetrize Yes
   End

   task SinglePoint

   Engine adf
     Basis
       Core None
       Type TZ2P
     End
     XC
        libxc M06-2X
     end
     MBPT
        nTime 20
        nFrequency 20
     End  
     numericalQuality Good

     GW
        DIIS 5 
        nStates 3
        Converge HOMO=5e-3
        selfconsistency evGW
     END

   EndEngine
   eor


