#! /bin/sh

# Specify the subkey MAGOPTROT in the AORESPONSE key to calculate the Verdet
# constant.


$ADFBIN/adf <<eor
title water

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

xc
 lda vwn
 gga revPBE
end

aoresponse
 scf  converge 1d-6 iterations 25
 frequency 1 0.088558 Hartree
 ALDA
 giao
 magoptrot
end


eor