#! /bin/sh

# Example shows an frequency-dependent ZORA calculation of complex linear
# response of AgI including spin-orbit coupling.

# The polarizability is calculated using the AORESPONSE key, in which spin-orbit
# coupling is taken into account. In this case a spin-restricted calculation is
# required, but, unlike the rest of AORESPONSE, also NOSYM. In this example
# lifetime effects are included.


"$ADFBIN/adf" <<eor
TITLE AgI,SO-ZORA

basis
 type TZ2P
 core None
end

ATOMS
  Ag   0.0 0.0  1.2723
  I    0.0 0.0  -1.2723
END

symmetry nosym
allpoints

BeckeGrid
 quality good
End

linearscaling 9.0
End

xc
  lda VWN
end

Relativistic zora spinorbit

aoresponse
 scf 
 frequency 1 0.085 HARTREE
 lifetime 0.007
 ALDA
 EL_DIPOLE_EL_DIPOLE
end

eor