Example: eigenvalue-only self-consistent GW@PBE calculation: Ne with GTO type basis set
***************************************************************************************

"Download GW_Ne_GTO.run"

   #! /bin/sh

   # GW calculation for Water. By default. The highest 5 occupied and lowest 5
   # unoccupied states are calculated.

   # We use an all-electron basis set since core-correlation effects are important. 
   # A large basis set is recommended for relatively well converged QP energies. 
   # With the 5Z GTO type basis set, we expect the QP energies to be converged
   # within 0.1 eV.

   # Fot this example we will use the GGA PBE.
   # This is NOT a recommended starting point for a G0W0 calculation. 
   # However, the eigenvalue-only self-consistency removes most of the 
   # starting point dependence of the functional. 
   # Thererfore, PBE is a reasonable choice.  

   # RECOMMENDED: VeryGood numerical quality, 
   # especially in self-consistent GW calculations. 

   # We calculate the auxiliary fit set from products of primary basis functions.
   # When the primary basis contains functions with angular momenta of l=5, like
   # the cc-pV5Z one, we need functions in the fit with angular momenta of l=10.
   # Building the auxiliary basis from fit functions ensures this. 

   $AMSBIN/ams << eor
   Symmetry
     SymmetrizeTolerance 0.001
   End

   System
     Atoms
       Ne 0.0 0.0 0.0
     End
     Symmetrize Yes
   End

   task SinglePoint

   Engine band
     Basis
       Core None
       Type GTO/CC-PVTZ
     end

     NumericalQuality VeryGood

     Dependency
        AllowBasisDependency True
        basis 1e-4
     End

     RIHartreeFock
       DependencyCoreRange 0.0
       FitGenerationDetails
         Method FromBasisProducts
         OneCenterDependencyThreshold 1e-08
       End
       FitSetQuality FromBasisProducts
     End

     SoftConfinement
        Quality Excellent
     End

     relativity 
        level None
     End

     usesymmetry False

     XC
       gga PBE
     end

     GW
        nStates 3
        selfconsistency evGW
     END
   EndEngine
   eor
