# Example: qsGW calculation: N2¶

Download qsGW_N2.run

#! /bin/sh

# Like in evGW in qsGW the quasi-particle energies are updated
# until self-consistency is reached.
# In qsGW, the density is updated as well, however, the self-energy is
# mapped to a static effective potential and the Dyson equation is
# solved by diagonalization instead of inversion.
# The results of a qsGW are independent of the choice of the underlying
# exchange-correlation functional and are usually the most accurate ones.
# The same is done in qsGW0, but the screened interaction is not updated.

for k in 'qsGW' 'qsGW0' ; do

rm -r ams.results

$AMSBIN/ams << eor Symmetry SymmetrizeTolerance 0.001 End System Atoms N 0.0000 0.0000 0.0000 N 0.0000 0.0000 1.0977 End Symmetrize Yes End task SinglePoint Engine adf Basis Core None Type TZ2P End symmetry nosym XC hartreefock end MBPT nTime 12 nFrequency 12 End numericalQuality Good GW DIIS 3 nStates 3 selfconsistency$k
END

EndEngine
eor

done