Hi All:
I am trying to do some calculations on a palladium cluster. Irrespective
of the kind of pseudopotential I use, I always end up with the following
error..
~~~~~~~~~~~~~~~~~~~~~~
POLgen: Perturbative polarization orbital with L= 1
POLgen: Polarization orbital for state 5s
POLARIZATION: Iteration to find the polarization
orbital has failed !!!!!!!!!
Please try with a Rc no bigger than 0.000000000000000000E+00 Bohr
Stopping Program
~~~~~~~~~~~~~~~~~~~~~~
I have tried with different values of rc, but I always get the above
error. Any suggestions would be welcome.
Thanks,
Tarakeshwar
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The input for the pseudopotential file is given below..
pg Palladium
tm2 2.500
n=Pd c=car
0.0 0.0 0.0 0.0 0.0 0.0
8 4
5 0 1.000 0.000
5 1 0.000 0.000
4 2 9.000 0.000
4 3 0.000 0.000
2.100 2.700 2.00 2.00
