<html><head><meta http-equiv="Content-Type" content="text/html charset=us-ascii"></head><body style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space;" class=""><br class="">Dear Columbus colleagues,<div class=""><br class=""></div><div class="">I have tried to make Columbus do a CIS calculation using a single reference. It seems to me that it cannot be done. I have tried to use</div><div style="margin: 0px; font-size: 11px; line-height: normal; font-family: Menlo; background-color: rgb(255, 255, 255);" class=""><span style="font-variant-ligatures: no-common-ligatures" class=""> IVMODE = 0</span></div><div class=""><span style="font-family: Menlo; font-size: 11px; background-color: rgb(255, 255, 255);" class=""> </span><span style="font-family: Menlo; font-size: 11px; background-color: rgb(255, 255, 255);" class="">ISTRT = 1</span></div><div class="">to generate initial vectors from both z and y walks but this has not worked. Is there a way to do such calculation?</div><div class=""><br class=""></div><div class="">Thank you,</div><div class="">Spiridoula</div><div class=""><br class=""></div><br class=""><br class=""><div class="">
<div style="color: rgb(0, 0, 0); font-family: Helvetica; font-size: 12px; font-style: normal; font-variant-caps: normal; font-weight: normal; letter-spacing: normal; orphans: auto; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; widows: auto; word-spacing: 0px; -webkit-text-size-adjust: auto; -webkit-text-stroke-width: 0px;">Spiridoula Matsika<br class="">Professor of Chemistry<br class="">Department of Chemistry<br class="">Temple University<br class="">1901 N.13th Street<br class="">242 Beury Hall<br class="">Philadelphia, PA 19122<br class=""><br class="">Phone: 215 204 7703<br class="">Fax: 215 204 1532<br class=""><a href="mailto:smatsika@temple.edu" class="">smatsika@temple.edu</a></div>
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