[molpro-user] Subject: oscillatory strength calculation by eom-ccsd method

[Arpita Ghosh]

Dear Molpro users and developers
I would like to calculate the excited states and oscillator strength of C17
molecule by eom-ccsd method. But I am getting *****  for oscillator
strength instead of the numerical value.

Here is my input file :

***,C17 molecule in xyz coordinates
memory,300,m
basis=cc-pvdz
geomtype=xyz
geometry={17
optimization of C17 molecule
c   0.000000    0.000000   10.419026
c   0.000000    0.000000    9.102347
c   0.000000    0.000000    7.788613
c   0.000000    0.000000    6.495247
c   0.000000    0.000000    5.193215
c   0.000000    0.000000    3.896865
c   0.000000    0.000000    2.596988
c   0.000000    0.000000    1.298906
c   0.000000    0.000000    0.000000
c   0.000000    0.000000   -1.298906
c   0.000000    0.000000   -2.596988
c   0.000000    0.000000   -3.896865
c   0.000000    0.000000   -5.193215
c   0.000000    0.000000   -6.495247
c   0.000000    0.000000   -7.788613
c   0.000000    0.000000   -9.102347
c   0.000000    0.000000  -10.419026
end}
{rhf;wf,102,1,0}
{ccsd;dm;eom,-5.5,trans=1}
exit
The output file is looking like this :

 State    Exc. Energy (eV)            X              Y              Z
   2.5          2.890

 Right transition moment           0.00000000     0.00000000***************
 Left  transition moment           0.00000000     0.00000000   -15.87124227
 Dipole strength              ***************
 Oscillator strength          ***************
 Dipole moment                     0.00000000     0.00000000
0.00000000   Norm:     0.00000000


Thank you.
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