CCL: SCF is confused

[ilke ugur <ilke_ugur#%#yahoo.com>]

Dear All,

 

I tried to calculate single point energy of a molecule in water with MPWB1K. It never terminates and gives the following error.

 

 Density matrix is not changing but DIIS error= 3.08D-02 CofLast= 1.38D-04.
 The SCF is confused.

 

I tried to change scf=tight to scfmax=1000-2000. I also tried to change the geometry but it did not worked either.

 

Any suggestions

 

Thank you,

Ilke Ugur