Hi all,

I am trying to optimize the excited state of a cluster, but the optimization fails in job.13, after the dscf and escf converge, with this error message:

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S+T+V CONTRIBUTIONS TO ENERGY GRADIENT

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1e-integral 1st. derivatives will be neglected if expon. factor < 0.100000E-10

gradient run cancelled due to user signal in (i|STV|j)` : 2 1 0 0 (nshell= 259) !

MODTRACE: no modules on stack

*** this job must be restarted ! ***

egrad ended abnormally

error in gradient step (1)

(END)

I am right now restarting the optimization with the new coordinates, but I would like to understand why this error occurred. Can anybody help me?

Thanks

Enrico