Open shell Brueckner calculations

[anthony.scott at anu.edu.au]

Fellow Molpro users,

Does Molpro (2002.3) do open shell BD(T) calculations.

We can get such calculations started but they fail when the density 
fails to converge after 100 iterations.

I do not think that increasing the iteration number will help.

Any thoughts?

Thanks in advance,

tony
_______________________________________________________
Dr. Anthony P. Scott,
Computational Quantum Chemistry Gp,	Office Ph.: 	61-2-6125-3573
Research School of Chemistry,		Dept. Ph.:  	61-2-6125-3637
Australian National University,			Fax: 			61-2-6125-0750
Canberra, ACT 0200,				
AUSTRALIA.

E-mail: 	Anthony.Scott at anu.edu.au
_______________________________________________________