Sample directory: adf/H2O_TD_magnet/
Example for time-dependent magnetizability with GIAOs (Gauge including atomic orbitals).
$ADFBIN/adf <<eor basis type TZP core None end ATOMS O 0.000000 0.134692 0.000000 H 0.869763 -0.538741 0.000000 H -0.869763 -0.538794 0.000000 END symmetry nosym allpoints integration 6.0 linearscaling 99 xc lda vwn gga revPBE end aoresponse scf conv 1d-6 iter 25 frequency 1 5893 Angstrom giao ALDA magneticpert FitAOderiv end END INPUT eor




