<html><head><meta http-equiv="Content-Type" content="text/html charset=iso-8859-1"><base href="x-msg://125/"></head><body style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space; ">Gerry,<div><br></div><div>try:</div><div><br></div><div>eci2=energy(2)</div><div>optg,variable=eci2</div><div><br></div><div><br></div><div>-Kirk</div><div><br></div><div><br></div><div><div><div>On Aug 24, 2012, at 6:36 PM, "Hoffman, Gerald" <<a href="mailto:GHOFFMAN@edinboro.edu">GHOFFMAN@edinboro.edu</a>> wrote:</div><br class="Apple-interchange-newline"><blockquote type="cite"><div fpstyle="1" ocsi="0" style="font-family: Helvetica; font-size: medium; font-style: normal; font-variant: normal; font-weight: normal; letter-spacing: normal; line-height: normal; orphans: 2; text-align: -webkit-auto; text-indent: 0px; text-transform: none; white-space: normal; widows: 2; word-spacing: 0px; -webkit-text-size-adjust: auto; -webkit-text-stroke-width: 0px; "><div style="direction: ltr; font-family: Tahoma; font-size: 10pt; ">How do I optimize the second electronic state of a particular symmetry, with two reference states, in an mrci calculation? The manual does not seem to be clear on this.<div><br></div><div>Gerry Hoffman<br><div><br><div style="font-family: Tahoma; font-size: 13px; "><p>Gerald J. Hoffman</p><p>Assistant Professor of Chemistry</p><p>Edinboro University of Pennsylvania</p><p>230 Scotland Road</p><p>Edinboro, PA 16444</p><div> <br class="webkit-block-placeholder"></div><p>814-732-2813</p><div> <br class="webkit-block-placeholder"></div><p><a href="mailto:ghoffman@edinboro.edu">ghoffman@edinboro.edu</a></p><div> <br class="webkit-block-placeholder"></div></div></div></div></div>_______________________________________________<br>Molpro-user mailing list<br><a href="mailto:Molpro-user@molpro.net">Molpro-user@molpro.net</a><br><a href="http://www.molpro.net/mailman/listinfo/molpro-user">http://www.molpro.net/mailman/listinfo/molpro-user</a></div></blockquote></div><br></div></body></html>