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

# prepare data for TDSCF simulations
ln -sf scf.50 eas_x.50
ln -sf scf.50 eas_y.50
ln -sf scf.50 eas_z.50

# run the tdscf calculation
respect --tdscf --inp=eas_x
respect --tdscf --inp=eas_y
respect --tdscf --inp=eas_z

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