[molpro-user] what is micro-iteration?

Luck luck lookforluke at yahoo.com
Thu Feb 7 19:16:58 GMT 2013


I wonder what is the micro iteration and what is the difference between it and regular iteration. I am running a mrci-f12/vdz-f12 job and it ends with an error message saying: 

"?micro iteration not converged
 ? The problem occurs in cif12solve"

Can anyone give me a brief introduction? Or a link with proper reference is also highly appreciated.

Thank you.

-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://www.molpro.net/pipermail/molpro-user/attachments/20130207/1b3b9982/attachment.html>

More information about the Molpro-user mailing list