# run scf calculation
respect --scf --inp=scf

# prepare data for TDSCF simulations
ln -sf scf.50 ecd_x.50
ln -sf scf.50 ecd_y.50
ln -sf scf.50 ecd_z.50

# run the tdscf calculation
respect --tdscf --inp=ecd_x
respect --tdscf --inp=ecd_y
respect --tdscf --inp=ecd_z

# cleaning
rm -f *.50* *.molden
