# GW calculation on Ozone. 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
# to catpure all screening effects.
# Since for a GGA reference poles of the self-energy will be close to the highest
# (particle )QP solution, we use a hybrid reference. This shifts away the poles
# from the QP solution. We also use large imaginary time and imaginary frequency
# grids to ensure convergence of the QP energies despite the small HOMO-LUMO gap.
$AMSBIN/ams << eor
O 0.000000 0.000000 0.000000
O 1.086900 0.000000 0.660000
O -1.086900 0.000000 0.660000