# H2O-NR
respect --scf   --inp=h2o-hf-tda
respect --tddft --inp=h2o-hf-tda

respect --scf   --inp=h2o-rij-tda
respect --tddft --inp=h2o-rij-tda

respect --scf   --inp=h2o-exact-tda
respect --tddft --inp=h2o-exact-tda

respect --tddft --start-data=h2o-hf-tda    --inp=cvs
respect --tddft --start-data=h2o-rij-tda   --inp=cvs
respect --tddft --start-data=h2o-exact-tda --inp=cvs

util/EAS_from_TDDFT.py --files=h2o-hf-tda     --states='1-3' --damping=0.001  --window='0-20'    --points=500 --test > EAS-h2o-hf
generic_test EAS-h2o-hf

util/EAS_from_TDDFT.py --files=h2o-hf-tda-cvs --states='1-4' --damping=0.0055 --window='540-560' --points=500 --test > EAS-h2o-hf-cvs
generic_test EAS-h2o-hf-cvs

# cleaning
rm -f *.50
