Example: Dynamic magnetizability: H2O

Download H2O_TD_magnet.run

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
NumericalQuality good
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