<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="">Dear Rameswar,<div class=""><br class=""></div><div class="">the wf command is the same as any singlet, it's your occ and closed cards that are most important in this case, i.e., you need to have at least 2 open shells</div><div class=""><br class=""></div><div class="">regards,</div><div class=""><br class=""></div><div class="">-Kirk</div><div class=""><br class=""><div><blockquote type="cite" class=""><div class="">On Mar 4, 2015, at 8:32 PM, Rameswar Bhattacharjee <<a href="mailto:rameswarb22@gmail.com" class="">rameswarb22@gmail.com</a>> wrote:</div><br class="Apple-interchange-newline"><div class=""><meta http-equiv="Content-Type" content="text/html; charset=utf-8" class=""><div dir="ltr" class=""><div class="">Dear All,<br class=""></div>I want to perform a single point calculation using "multi" method.Now if my system is open shell singlet than, how I will define my "wf" card for the system? Any suggestion will be highly appreciated.Thank you<br class=""><br clear="all" class=""><div class=""><div class=""><br class="">-- <br class=""><div class="gmail_signature"><div dir="ltr" class=""><div class=""><font face="times new roman, new york, times, serif" size="4" class="">---------------------------------------------------------------------------------------------</font><b class=""><font face="times new roman, new york, times, serif" size="4" class=""><br class="">"The man who makes no
mistakes does not usually make anything."</font></b></div><div class=""><b class=""><font face="times new
roman, new york, times, serif" size="4" class="">
Edward John Phelps (1822-1900)</font></b></div><div class=""><font face="times new roman, new
york, times, serif" size="4" class="">---------------------------------------------------------------------------------------------<br class=""><br class="">Rameswar Bhattacharjee<br class="">Junior Research Fellow<br class="">Dept. of Spectroscopy<br class="">Indian Association for the Cultivation of Science<br class="">Jadavpur, Kolkata-32<br class=""><br class="">
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