Example: Polarizability: first order perturbed density

Download ALPHA_DENSITY.run

#! /bin/sh

# In this example the polarizability is calculated with AORESONSE.
# If the ALPHA subkey of AORESPONSE is included
# the perturbed density matrix is written to TAPE16.
# densf can use this TAPE16 to calculate the perturbed density on a grid.

$ADFBIN/adf <<eor

Basis
  type TZP
  core None
End

ATOMS
  1 O     0.00000000   -0.06692444    0.00000000
  2 H     0.76766392    0.53123258    0.00000000
  3 H    -0.76766392    0.53123258    0.00000000
END

SYMMETRY NOSYM

XC
  GGA Becke Perdew
end

BeckeGrid
  Quality verygood
end

aoresponse
  scf  iter 200
  frequency 1 2.2489 ev
  lifetime 0.0037
  alpha
  ALDA
end

eor

$ADFBIN/densf << eor

Grid Inline
-4.0   -3.0   -3.0
-4.0   -3.0   -2.2
-4.0   -3.0   -1.4
-4.0   -3.0   -0.6
-4.0   -3.0   0.2
-4.0   -3.0   1.0
-4.0   -3.0   1.8
-4.0   -3.0   2.6
-4.0   -2.2   -3.0
-4.0   -2.2   -2.2
-4.0   -2.2   -1.4
-4.0   -2.2   -0.6
-4.0   -2.2   0.2
-4.0   -2.2   1.0
-4.0   -2.2   1.8
-4.0   -2.2   2.6
-4.0   -1.4   -3.0
-4.0   -1.4   -2.2
-4.0   -1.4   -1.4
-4.0   -1.4   -0.6
-4.0   -1.4   0.2
-4.0   -1.4   1.0
-4.0   -1.4   1.8
-4.0   -1.4   2.6
-4.0   -0.6   -3.0
-4.0   -0.6   -2.2
-4.0   -0.6   -1.4
-4.0   -0.6   -0.6
-4.0   -0.6   0.2
-4.0   -0.6   1.0
-4.0   -0.6   1.8
-4.0   -0.6   2.6
-4.0   0.2   -3.0
-4.0   0.2   -2.2
-4.0   0.2   -1.4
-4.0   0.2   -0.6
-4.0   0.2   0.2
-4.0   0.2   1.0
-4.0   0.2   1.8
-4.0   0.2   2.6
-4.0   1.0   -3.0
-4.0   1.0   -2.2
-4.0   1.0   -1.4
-4.0   1.0   -0.6
-4.0   1.0   0.2
-4.0   1.0   1.0
-4.0   1.0   1.8
-4.0   1.0   2.6
-4.0   1.8   -3.0
-4.0   1.8   -2.2
-4.0   1.8   -1.4
-4.0   1.8   -0.6
-4.0   1.8   0.2
-4.0   1.8   1.0
-4.0   1.8   1.8
-4.0   1.8   2.6
-4.0   2.6   -3.0
-4.0   2.6   -2.2
-4.0   2.6   -1.4
-4.0   2.6   -0.6
-4.0   2.6   0.2
-4.0   2.6   1.0
-4.0   2.6   1.8
-4.0   2.6   2.6
-4.0   3.4   -3.0
-4.0   3.4   -2.2
-4.0   3.4   -1.4
-4.0   3.4   -0.6
-4.0   3.4   0.2
-4.0   3.4   1.0
-4.0   3.4   1.8
-4.0   3.4   2.6
-3.2   -3.0   -3.0
-3.2   -3.0   -2.2
-3.2   -3.0   -1.4
-3.2   -3.0   -0.6
-3.2   -3.0   0.2
-3.2   -3.0   1.0
-3.2   -3.0   1.8
-3.2   -3.0   2.6
-3.2   -2.2   -3.0
-3.2   -2.2   -2.2
-3.2   -2.2   -1.4
-3.2   -2.2   -0.6
-3.2   -2.2   0.2
-3.2   -2.2   1.0
-3.2   -2.2   1.8
-3.2   -2.2   2.6
-3.2   -1.4   -3.0
-3.2   -1.4   -2.2
-3.2   -1.4   -1.4
-3.2   -1.4   -0.6
-3.2   -1.4   0.2
-3.2   -1.4   1.0
-3.2   -1.4   1.8
-3.2   -1.4   2.6
-3.2   -0.6   -3.0
-3.2   -0.6   -2.2
-3.2   -0.6   -1.4
-3.2   -0.6   -0.6
-3.2   -0.6   0.2
-3.2   -0.6   1.0
-3.2   -0.6   1.8
-3.2   -0.6   2.6
-3.2   0.2   -3.0
-3.2   0.2   -2.2
-3.2   0.2   -1.4
-3.2   0.2   -0.6
-3.2   0.2   0.2
-3.2   0.2   1.0
-3.2   0.2   1.8
-3.2   0.2   2.6
-3.2   1.0   -3.0
-3.2   1.0   -2.2
-3.2   1.0   -1.4
-3.2   1.0   -0.6
-3.2   1.0   0.2
-3.2   1.0   1.0
-3.2   1.0   1.8
-3.2   1.0   2.6
-3.2   1.8   -3.0
-3.2   1.8   -2.2
-3.2   1.8   -1.4
-3.2   1.8   -0.6
-3.2   1.8   0.2
-3.2   1.8   1.0
-3.2   1.8   1.8
-3.2   1.8   2.6
-3.2   2.6   -3.0
-3.2   2.6   -2.2
-3.2   2.6   -1.4
-3.2   2.6   -0.6
-3.2   2.6   0.2
-3.2   2.6   1.0
-3.2   2.6   1.8
-3.2   2.6   2.6
-3.2   3.4   -3.0
-3.2   3.4   -2.2
-3.2   3.4   -1.4
-3.2   3.4   -0.6
-3.2   3.4   0.2
-3.2   3.4   1.0
-3.2   3.4   1.8
-3.2   3.4   2.6
-2.4   -3.0   -3.0
-2.4   -3.0   -2.2
-2.4   -3.0   -1.4
-2.4   -3.0   -0.6
-2.4   -3.0   0.2
-2.4   -3.0   1.0
-2.4   -3.0   1.8
-2.4   -3.0   2.6
-2.4   -2.2   -3.0
-2.4   -2.2   -2.2
-2.4   -2.2   -1.4
-2.4   -2.2   -0.6
-2.4   -2.2   0.2
-2.4   -2.2   1.0
-2.4   -2.2   1.8
-2.4   -2.2   2.6
-2.4   -1.4   -3.0
-2.4   -1.4   -2.2
-2.4   -1.4   -1.4
-2.4   -1.4   -0.6
-2.4   -1.4   0.2
-2.4   -1.4   1.0
-2.4   -1.4   1.8
-2.4   -1.4   2.6
-2.4   -0.6   -3.0
-2.4   -0.6   -2.2
-2.4   -0.6   -1.4
-2.4   -0.6   -0.6
-2.4   -0.6   0.2
-2.4   -0.6   1.0
-2.4   -0.6   1.8
-2.4   -0.6   2.6
-2.4   0.2   -3.0
-2.4   0.2   -2.2
-2.4   0.2   -1.4
-2.4   0.2   -0.6
-2.4   0.2   0.2
-2.4   0.2   1.0
-2.4   0.2   1.8
-2.4   0.2   2.6
-2.4   1.0   -3.0
-2.4   1.0   -2.2
-2.4   1.0   -1.4
-2.4   1.0   -0.6
-2.4   1.0   0.2
-2.4   1.0   1.0
-2.4   1.0   1.8
-2.4   1.0   2.6
-2.4   1.8   -3.0
-2.4   1.8   -2.2
-2.4   1.8   -1.4
-2.4   1.8   -0.6
-2.4   1.8   0.2
-2.4   1.8   1.0
-2.4   1.8   1.8
-2.4   1.8   2.6
-2.4   2.6   -3.0
-2.4   2.6   -2.2
-2.4   2.6   -1.4
-2.4   2.6   -0.6
-2.4   2.6   0.2
-2.4   2.6   1.0
-2.4   2.6   1.8
-2.4   2.6   2.6
-2.4   3.4   -3.0
-2.4   3.4   -2.2
-2.4   3.4   -1.4
-2.4   3.4   -0.6
-2.4   3.4   0.2
-2.4   3.4   1.0
-2.4   3.4   1.8
-2.4   3.4   2.6
-1.6   -3.0   -3.0
-1.6   -3.0   -2.2
-1.6   -3.0   -1.4
-1.6   -3.0   -0.6
-1.6   -3.0   0.2
-1.6   -3.0   1.0
-1.6   -3.0   1.8
-1.6   -3.0   2.6
-1.6   -2.2   -3.0
-1.6   -2.2   -2.2
-1.6   -2.2   -1.4
-1.6   -2.2   -0.6
-1.6   -2.2   0.2
-1.6   -2.2   1.0
-1.6   -2.2   1.8
-1.6   -2.2   2.6
-1.6   -1.4   -3.0
-1.6   -1.4   -2.2
-1.6   -1.4   -1.4
-1.6   -1.4   -0.6
-1.6   -1.4   0.2
-1.6   -1.4   1.0
-1.6   -1.4   1.8
-1.6   -1.4   2.6
-1.6   -0.6   -3.0
-1.6   -0.6   -2.2
-1.6   -0.6   -1.4
-1.6   -0.6   -0.6
-1.6   -0.6   0.2
-1.6   -0.6   1.0
-1.6   -0.6   1.8
-1.6   -0.6   2.6
-1.6   0.2   -3.0
-1.6   0.2   -2.2
-1.6   0.2   -1.4
-1.6   0.2   -0.6
-1.6   0.2   0.2
-1.6   0.2   1.0
-1.6   0.2   1.8
-1.6   0.2   2.6
-1.6   1.0   -3.0
-1.6   1.0   -2.2
-1.6   1.0   -1.4
-1.6   1.0   -0.6
-1.6   1.0   0.2
-1.6   1.0   1.0
-1.6   1.0   1.8
-1.6   1.0   2.6
-1.6   1.8   -3.0
-1.6   1.8   -2.2
-1.6   1.8   -1.4
-1.6   1.8   -0.6
-1.6   1.8   0.2
-1.6   1.8   1.0
-1.6   1.8   1.8
-1.6   1.8   2.6
-1.6   2.6   -3.0
-1.6   2.6   -2.2
-1.6   2.6   -1.4
-1.6   2.6   -0.6
-1.6   2.6   0.2
-1.6   2.6   1.0
-1.6   2.6   1.8
-1.6   2.6   2.6
-1.6   3.4   -3.0
-1.6   3.4   -2.2
-1.6   3.4   -1.4
-1.6   3.4   -0.6
-1.6   3.4   0.2
-1.6   3.4   1.0
-1.6   3.4   1.8
-1.6   3.4   2.6
-0.8   -3.0   -3.0
-0.8   -3.0   -2.2
-0.8   -3.0   -1.4
-0.8   -3.0   -0.6
-0.8   -3.0   0.2
-0.8   -3.0   1.0
-0.8   -3.0   1.8
-0.8   -3.0   2.6
-0.8   -2.2   -3.0
-0.8   -2.2   -2.2
-0.8   -2.2   -1.4
-0.8   -2.2   -0.6
-0.8   -2.2   0.2
-0.8   -2.2   1.0
-0.8   -2.2   1.8
-0.8   -2.2   2.6
-0.8   -1.4   -3.0
-0.8   -1.4   -2.2
-0.8   -1.4   -1.4
-0.8   -1.4   -0.6
-0.8   -1.4   0.2
-0.8   -1.4   1.0
-0.8   -1.4   1.8
-0.8   -1.4   2.6
-0.8   -0.6   -3.0
-0.8   -0.6   -2.2
-0.8   -0.6   -1.4
-0.8   -0.6   -0.6
-0.8   -0.6   0.2
-0.8   -0.6   1.0
-0.8   -0.6   1.8
-0.8   -0.6   2.6
-0.8   0.2   -3.0
-0.8   0.2   -2.2
-0.8   0.2   -1.4
-0.8   0.2   -0.6
-0.8   0.2   0.2
-0.8   0.2   1.0
-0.8   0.2   1.8
-0.8   0.2   2.6
-0.8   1.0   -3.0
-0.8   1.0   -2.2
-0.8   1.0   -1.4
-0.8   1.0   -0.6
-0.8   1.0   0.2
-0.8   1.0   1.0
-0.8   1.0   1.8
-0.8   1.0   2.6
-0.8   1.8   -3.0
-0.8   1.8   -2.2
-0.8   1.8   -1.4
-0.8   1.8   -0.6
-0.8   1.8   0.2
-0.8   1.8   1.0
-0.8   1.8   1.8
-0.8   1.8   2.6
-0.8   2.6   -3.0
-0.8   2.6   -2.2
-0.8   2.6   -1.4
-0.8   2.6   -0.6
-0.8   2.6   0.2
-0.8   2.6   1.0
-0.8   2.6   1.8
-0.8   2.6   2.6
-0.8   3.4   -3.0
-0.8   3.4   -2.2
-0.8   3.4   -1.4
-0.8   3.4   -0.6
-0.8   3.4   0.2
-0.8   3.4   1.0
-0.8   3.4   1.8
-0.8   3.4   2.6
0.0   -3.0   -3.0
0.0   -3.0   -2.2
0.0   -3.0   -1.4
0.0   -3.0   -0.6
0.0   -3.0   0.2
0.0   -3.0   1.0
0.0   -3.0   1.8
0.0   -3.0   2.6
0.0   -2.2   -3.0
0.0   -2.2   -2.2
0.0   -2.2   -1.4
0.0   -2.2   -0.6
0.0   -2.2   0.2
0.0   -2.2   1.0
0.0   -2.2   1.8
0.0   -2.2   2.6
0.0   -1.4   -3.0
0.0   -1.4   -2.2
0.0   -1.4   -1.4
0.0   -1.4   -0.6
0.0   -1.4   0.2
0.0   -1.4   1.0
0.0   -1.4   1.8
0.0   -1.4   2.6
0.0   -0.6   -3.0
0.0   -0.6   -2.2
0.0   -0.6   -1.4
0.0   -0.6   -0.6
0.0   -0.6   0.2
0.0   -0.6   1.0
0.0   -0.6   1.8
0.0   -0.6   2.6
0.0   0.2   -3.0
0.0   0.2   -2.2
0.0   0.2   -1.4
0.0   0.2   -0.6
0.0   0.2   0.2
0.0   0.2   1.0
0.0   0.2   1.8
0.0   0.2   2.6
0.0   1.0   -3.0
0.0   1.0   -2.2
0.0   1.0   -1.4
0.0   1.0   -0.6
0.0   1.0   0.2
0.0   1.0   1.0
0.0   1.0   1.8
0.0   1.0   2.6
0.0   1.8   -3.0
0.0   1.8   -2.2
0.0   1.8   -1.4
0.0   1.8   -0.6
0.0   1.8   0.2
0.0   1.8   1.0
0.0   1.8   1.8
0.0   1.8   2.6
0.0   2.6   -3.0
0.0   2.6   -2.2
0.0   2.6   -1.4
0.0   2.6   -0.6
0.0   2.6   0.2
0.0   2.6   1.0
0.0   2.6   1.8
0.0   2.6   2.6
0.0   3.4   -3.0
0.0   3.4   -2.2
0.0   3.4   -1.4
0.0   3.4   -0.6
0.0   3.4   0.2
0.0   3.4   1.0
0.0   3.4   1.8
0.0   3.4   2.6
0.8   -3.0   -3.0
0.8   -3.0   -2.2
0.8   -3.0   -1.4
0.8   -3.0   -0.6
0.8   -3.0   0.2
0.8   -3.0   1.0
0.8   -3.0   1.8
0.8   -3.0   2.6
0.8   -2.2   -3.0
0.8   -2.2   -2.2
0.8   -2.2   -1.4
0.8   -2.2   -0.6
0.8   -2.2   0.2
0.8   -2.2   1.0
0.8   -2.2   1.8
0.8   -2.2   2.6
0.8   -1.4   -3.0
0.8   -1.4   -2.2
0.8   -1.4   -1.4
0.8   -1.4   -0.6
0.8   -1.4   0.2
0.8   -1.4   1.0
0.8   -1.4   1.8
0.8   -1.4   2.6
0.8   -0.6   -3.0
0.8   -0.6   -2.2
0.8   -0.6   -1.4
0.8   -0.6   -0.6
0.8   -0.6   0.2
0.8   -0.6   1.0
0.8   -0.6   1.8
0.8   -0.6   2.6
0.8   0.2   -3.0
0.8   0.2   -2.2
0.8   0.2   -1.4
0.8   0.2   -0.6
0.8   0.2   0.2
0.8   0.2   1.0
0.8   0.2   1.8
0.8   0.2   2.6
0.8   1.0   -3.0
0.8   1.0   -2.2
0.8   1.0   -1.4
0.8   1.0   -0.6
0.8   1.0   0.2
0.8   1.0   1.0
0.8   1.0   1.8
0.8   1.0   2.6
0.8   1.8   -3.0
0.8   1.8   -2.2
0.8   1.8   -1.4
0.8   1.8   -0.6
0.8   1.8   0.2
0.8   1.8   1.0
0.8   1.8   1.8
0.8   1.8   2.6
0.8   2.6   -3.0
0.8   2.6   -2.2
0.8   2.6   -1.4
0.8   2.6   -0.6
0.8   2.6   0.2
0.8   2.6   1.0
0.8   2.6   1.8
0.8   2.6   2.6
0.8   3.4   -3.0
0.8   3.4   -2.2
0.8   3.4   -1.4
0.8   3.4   -0.6
0.8   3.4   0.2
0.8   3.4   1.0
0.8   3.4   1.8
0.8   3.4   2.6
1.6   -3.0   -3.0
1.6   -3.0   -2.2
1.6   -3.0   -1.4
1.6   -3.0   -0.6
1.6   -3.0   0.2
1.6   -3.0   1.0
1.6   -3.0   1.8
1.6   -3.0   2.6
1.6   -2.2   -3.0
1.6   -2.2   -2.2
1.6   -2.2   -1.4
1.6   -2.2   -0.6
1.6   -2.2   0.2
1.6   -2.2   1.0
1.6   -2.2   1.8
1.6   -2.2   2.6
1.6   -1.4   -3.0
1.6   -1.4   -2.2
1.6   -1.4   -1.4
1.6   -1.4   -0.6
1.6   -1.4   0.2
1.6   -1.4   1.0
1.6   -1.4   1.8
1.6   -1.4   2.6
1.6   -0.6   -3.0
1.6   -0.6   -2.2
1.6   -0.6   -1.4
1.6   -0.6   -0.6
1.6   -0.6   0.2
1.6   -0.6   1.0
1.6   -0.6   1.8
1.6   -0.6   2.6
1.6   0.2   -3.0
1.6   0.2   -2.2
1.6   0.2   -1.4
1.6   0.2   -0.6
1.6   0.2   0.2
1.6   0.2   1.0
1.6   0.2   1.8
1.6   0.2   2.6
1.6   1.0   -3.0
1.6   1.0   -2.2
1.6   1.0   -1.4
1.6   1.0   -0.6
1.6   1.0   0.2
1.6   1.0   1.0
1.6   1.0   1.8
1.6   1.0   2.6
1.6   1.8   -3.0
1.6   1.8   -2.2
1.6   1.8   -1.4
1.6   1.8   -0.6
1.6   1.8   0.2
1.6   1.8   1.0
1.6   1.8   1.8
1.6   1.8   2.6
1.6   2.6   -3.0
1.6   2.6   -2.2
1.6   2.6   -1.4
1.6   2.6   -0.6
1.6   2.6   0.2
1.6   2.6   1.0
1.6   2.6   1.8
1.6   2.6   2.6
1.6   3.4   -3.0
1.6   3.4   -2.2
1.6   3.4   -1.4
1.6   3.4   -0.6
1.6   3.4   0.2
1.6   3.4   1.0
1.6   3.4   1.8
1.6   3.4   2.6
2.4   -3.0   -3.0
2.4   -3.0   -2.2
2.4   -3.0   -1.4
2.4   -3.0   -0.6
2.4   -3.0   0.2
2.4   -3.0   1.0
2.4   -3.0   1.8
2.4   -3.0   2.6
2.4   -2.2   -3.0
2.4   -2.2   -2.2
2.4   -2.2   -1.4
2.4   -2.2   -0.6
2.4   -2.2   0.2
2.4   -2.2   1.0
2.4   -2.2   1.8
2.4   -2.2   2.6
2.4   -1.4   -3.0
2.4   -1.4   -2.2
2.4   -1.4   -1.4
2.4   -1.4   -0.6
2.4   -1.4   0.2
2.4   -1.4   1.0
2.4   -1.4   1.8
2.4   -1.4   2.6
2.4   -0.6   -3.0
2.4   -0.6   -2.2
2.4   -0.6   -1.4
2.4   -0.6   -0.6
2.4   -0.6   0.2
2.4   -0.6   1.0
2.4   -0.6   1.8
2.4   -0.6   2.6
2.4   0.2   -3.0
2.4   0.2   -2.2
2.4   0.2   -1.4
2.4   0.2   -0.6
2.4   0.2   0.2
2.4   0.2   1.0
2.4   0.2   1.8
2.4   0.2   2.6
2.4   1.0   -3.0
2.4   1.0   -2.2
2.4   1.0   -1.4
2.4   1.0   -0.6
2.4   1.0   0.2
2.4   1.0   1.0
2.4   1.0   1.8
2.4   1.0   2.6
2.4   1.8   -3.0
2.4   1.8   -2.2
2.4   1.8   -1.4
2.4   1.8   -0.6
2.4   1.8   0.2
2.4   1.8   1.0
2.4   1.8   1.8
2.4   1.8   2.6
2.4   2.6   -3.0
2.4   2.6   -2.2
2.4   2.6   -1.4
2.4   2.6   -0.6
2.4   2.6   0.2
2.4   2.6   1.0
2.4   2.6   1.8
2.4   2.6   2.6
2.4   3.4   -3.0
2.4   3.4   -2.2
2.4   3.4   -1.4
2.4   3.4   -0.6
2.4   3.4   0.2
2.4   3.4   1.0
2.4   3.4   1.8
2.4   3.4   2.6
3.2   -3.0   -3.0
3.2   -3.0   -2.2
3.2   -3.0   -1.4
3.2   -3.0   -0.6
3.2   -3.0   0.2
3.2   -3.0   1.0
3.2   -3.0   1.8
3.2   -3.0   2.6
3.2   -2.2   -3.0
3.2   -2.2   -2.2
3.2   -2.2   -1.4
3.2   -2.2   -0.6
3.2   -2.2   0.2
3.2   -2.2   1.0
3.2   -2.2   1.8
3.2   -2.2   2.6
3.2   -1.4   -3.0
3.2   -1.4   -2.2
3.2   -1.4   -1.4
3.2   -1.4   -0.6
3.2   -1.4   0.2
3.2   -1.4   1.0
3.2   -1.4   1.8
3.2   -1.4   2.6
3.2   -0.6   -3.0
3.2   -0.6   -2.2
3.2   -0.6   -1.4
3.2   -0.6   -0.6
3.2   -0.6   0.2
3.2   -0.6   1.0
3.2   -0.6   1.8
3.2   -0.6   2.6
3.2   0.2   -3.0
3.2   0.2   -2.2
3.2   0.2   -1.4
3.2   0.2   -0.6
3.2   0.2   0.2
3.2   0.2   1.0
3.2   0.2   1.8
3.2   0.2   2.6
3.2   1.0   -3.0
3.2   1.0   -2.2
3.2   1.0   -1.4
3.2   1.0   -0.6
3.2   1.0   0.2
3.2   1.0   1.0
3.2   1.0   1.8
3.2   1.0   2.6
3.2   1.8   -3.0
3.2   1.8   -2.2
3.2   1.8   -1.4
3.2   1.8   -0.6
3.2   1.8   0.2
3.2   1.8   1.0
3.2   1.8   1.8
3.2   1.8   2.6
3.2   2.6   -3.0
3.2   2.6   -2.2
3.2   2.6   -1.4
3.2   2.6   -0.6
3.2   2.6   0.2
3.2   2.6   1.0
3.2   2.6   1.8
3.2   2.6   2.6
3.2   3.4   -3.0
3.2   3.4   -2.2
3.2   3.4   -1.4
3.2   3.4   -0.6
3.2   3.4   0.2
3.2   3.4   1.0
3.2   3.4   1.8
3.2   3.4   2.6
4.0   -3.0   -3.0
4.0   -3.0   -2.2
4.0   -3.0   -1.4
4.0   -3.0   -0.6
4.0   -3.0   0.2
4.0   -3.0   1.0
4.0   -3.0   1.8
4.0   -3.0   2.6
4.0   -2.2   -3.0
4.0   -2.2   -2.2
4.0   -2.2   -1.4
4.0   -2.2   -0.6
4.0   -2.2   0.2
4.0   -2.2   1.0
4.0   -2.2   1.8
4.0   -2.2   2.6
4.0   -1.4   -3.0
4.0   -1.4   -2.2
4.0   -1.4   -1.4
4.0   -1.4   -0.6
4.0   -1.4   0.2
4.0   -1.4   1.0
4.0   -1.4   1.8
4.0   -1.4   2.6
4.0   -0.6   -3.0
4.0   -0.6   -2.2
4.0   -0.6   -1.4
4.0   -0.6   -0.6
4.0   -0.6   0.2
4.0   -0.6   1.0
4.0   -0.6   1.8
4.0   -0.6   2.6
4.0   0.2   -3.0
4.0   0.2   -2.2
4.0   0.2   -1.4
4.0   0.2   -0.6
4.0   0.2   0.2
4.0   0.2   1.0
4.0   0.2   1.8
4.0   0.2   2.6
4.0   1.0   -3.0
4.0   1.0   -2.2
4.0   1.0   -1.4
4.0   1.0   -0.6
4.0   1.0   0.2
4.0   1.0   1.0
4.0   1.0   1.8
4.0   1.0   2.6
4.0   1.8   -3.0
4.0   1.8   -2.2
4.0   1.8   -1.4
4.0   1.8   -0.6
4.0   1.8   0.2
4.0   1.8   1.0
4.0   1.8   1.8
4.0   1.8   2.6
4.0   2.6   -3.0
4.0   2.6   -2.2
4.0   2.6   -1.4
4.0   2.6   -0.6
4.0   2.6   0.2
4.0   2.6   1.0
4.0   2.6   1.8
4.0   2.6   2.6
4.0   3.4   -3.0
4.0   3.4   -2.2
4.0   3.4   -1.4
4.0   3.4   -0.6
4.0   3.4   0.2
4.0   3.4   1.0
4.0   3.4   1.8
4.0   3.4   2.6
End
Density scf
aoresponse alpha lifetime imag
eor