Example: Damped complex polarizabilities with POLTDDFT: Au10¶

#!/bin/sh

$ADFBIN/adf <<eor
Title Au10 DZ GGA LB94

Atoms
Au      -1.44000000       0.00000000       2.88000000
Au       1.44000000      -0.00000000      -2.88000000
Au      -1.44000000       0.00000000      -2.88000000
Au       1.44000000      -0.00000000       2.88000000
Au      -0.00000000      -2.03647000      -1.44000000
Au       0.00000000       2.03647000      -1.44000000
Au       1.44000000      -0.00000000       0.00000000
Au      -0.00000000      -2.03647000       1.44000000
Au      -1.44000000       0.00000000      -0.00000000
Au       0.00000000       2.03647000       1.44000000
End

Basis
 Au ZORA/DZ/REDFIT/Au.4f
End

relativistic scalar zora

XC
 GGA LB94
END

POLTDDFT
 Irrep
   B1.u
   B2.u
   B3.u
 subend
END
eor