#!/bin/sh
# Example for time-dependent magnetizability with GIAOs (Gauge including atomic
# orbitals).
$AMSBIN/ams <<eor
System
atoms
O 0.000000 0.134692 0.000000
H 0.869763 -0.538741 0.000000
H -0.869763 -0.538794 0.000000
end
end
Task SinglePoint
Engine ADF
title H2O, TD magnetizability
allpoints
aoresponse
alda
fitaoderiv
frequencies 2.103923139 [eV]
giao
magneticpert
scf conv 1d-6 iter 25
end
comment
purpose of this job is to calculate time-dependent magnetizability
with GIAOs
end
linearscaling 100
end
basis
core None
type TZP
end
numericalquality good
symmetry nosym
xc
gga revPBE
lda vwn
end
EndEngine
eor