[molpro-user] unreasonable norm in ccsd calculation reg

Rajagopala Reddy seelam srgreddyseelam at yahoo.co.in
Tue Sep 28 10:25:25 BST 2010

Dear molpro dealers and users,

I am facing a problem regarding 
unreasonable norm in ccsd calculation. I am using Molpro 2002.6 to do 
this. I found one query regarding the same in molpro-users mail archive 
and there it was suggested that using shifts=value will work. I used it 
but no success. Can any one of you please help.  

Thank you,


-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://www.molpro.net/pipermail/molpro-user/attachments/20100928/b0461e7d/attachment.html>

More information about the Molpro-user mailing list