[molpro-user] Dump to Molden files

[Thierry Leininger]

Hi all,

I got the following error message after the 

put,molden,cucl2.molden;

command.

==============================================================
Dump information in style MOLDEN to cucl2.molden

 Molecular orbitals read from record     2100.2  Type=RHF/CANONICAL (state 
1.1)
 Occupation numbers read from record     2100.2  Type=RHF/RHF (state 1.1)
 Orbital energies read from record       2100.2  Type=RHF/CANONICAL (state 
1.1)
 Redundancy group numbers read from rec  2100.2  Type=RHF/RHF (state 1.1)
 programming error in molden interface
 molden_ao, iao           174          189          189
===============================================================


Any idea in what is going on.

Thank you.

Thierry


-- 
Thierry Leininger
Laboratoire de Physique Quantique
IRSAMC - Université Paul Sabatier
118, route de Narbonne
F-31062 Toulouse Cedex
Tel : 05 61 55 68 38
Fax  05 61 55 60 65