Good day everybody,
I am doing a finite-field calculation for a C3v molecule. However, i get
the following messages when i try to apply a zzzz field
(field,zzzz,0.0001):
?ERROR: FINITE FIELD PERTURBATION OPERATOR ZZZZ NOT TOTALLY SYMMETRIC
and a similar one when i try to apply an xxxz field (field,xxxz,0.0001):
?ERROR: FINITE FIELD PERTURBATION OPERATOR XXXZ NOT TOTALLY SYMMETRIC
I also calculated the expectation value of zzzz in the Hartree-Fock
approximation (with no applied field and symmetry turned on) and this is
non-zero.
I tried turning off symmetry (nosym in geometry input) but still met with
the same errors.
Thanks for any help.
omololu
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