<html><head></head><body style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space; "><div><br></div>Are you sure that your HF calculation has actually converged correctly? An unreasonable norm in the CCSD often happens when the HF has converged to a state with the wrong occupations.<div><br></div><div>-Kirk</div><div><br><div><div>On Sep 28, 2010, at 2:25 AM, Rajagopala Reddy seelam wrote:</div><br class="Apple-interchange-newline"><blockquote type="cite"><table cellspacing="0" cellpadding="0" border="0"><tbody><tr><td valign="top" style="font: inherit;">Dear molpro dealers and users,<br><br>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. <br><br>Thank you,<br><br><div style="text-align: left;"><div style="text-align: right;"><span style="font-style: italic;"> <span style="color: rgb(255, 0, 0);"></span></span><br></div><span style="font-style: italic;"></span></div></td></tr></tbody></table><br>_______________________________________________<br>Molpro-user mailing list<br><a href="mailto:Molpro-user@molpro.net">Molpro-user@molpro.net</a><br>http://www.molpro.net/mailman/listinfo/molpro-user<br></blockquote></div><br></div></body></html>