[molpro-user] too many variable values

Evangelos Miliordos emiliord at gmail.com
Thu Nov 10 00:44:20 CET 2016


Dear molpro users,

I am running a state-average MCSCF calculation with many states.
By default molpro calculates the transition dipole elements of all 
possible pairs of states.
This seems to cause the following error
" ERROR: TOO MANY VARIABLE VALUES. THIS VERSION ALLOWS: 22400"
I am saying that because the calculation fails in the middle of this 
calculation.
Does anyone know how to disable the calculation of the transition dipoles?

Kind regards,
Evangelos

-- 
Evangelos Miliordos
Assistant Professor
Department of Chemistry and Biochemistry
103 Chemistry Building
Auburn University
Auburn, AL 36849-5312
USA
Tel: +1-334-844-6957
E-mail: emiliord at auburn.edu



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