Dear All,

I got a peculiar error while doing TDDFT calculations.
I wanted to calculated 50 exciations in irrep E of a
c3v molecule (in other irrep. things are FINE!), the
progrommed exited with nomral termination but has a
error!
the error is
-------------------------------------------------------
* 50 of 1980 excitations in irrep E column1
******************************************************
Starting calculation of SINGLET-TRIPLET excitation
energies
ERROR: ierr in advdsn not zero! ierr = 32

 Normal termination of EXCITATION program part
---------------------------------------------------

What is this error and how to avoid it.

thanks in advance

-kiran
PNNL
Richland, usa

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Received on 2002-09-24 03:14:03