Example: Dynamic magnetizability: H2O¶
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