#!/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