Example: Dynamic magnetizability: H2O¶

#!/bin/sh 

# Example for time-dependent magnetizability with GIAOs (Gauge including atomic
# orbitals).


$ADFBIN/adf <<eor
TITLE H2O, TD magnetizability

COMMENT
 purpose of this job is to calculate time-dependent magnetizability 
 with GIAOs
END

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

LinearScaling 100
End

symmetry nosym
allpoints

NumericalQuality good

xc
 lda vwn
 gga revPBE
end

aoresponse
 scf  conv 1d-6 iter 25
 frequency 1 5893 Angstrom
 giao
 ALDA
 magneticpert
 FitAOderiv
end

eor