<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="">Try maxit,30<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 Sep 28, 2015, at 1:38 AM, Jyotirmoy Ray <<a href="mailto:jyotirmoy001ray@gmail.com" class="">jyotirmoy001ray@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=""><br class=""><div class="gmail_quote"><br class=""><div dir="ltr" class=""><div style="font-family:comic sans ms,sans-serif" class="">Hello, <br class=""></div><div style="font-family:comic sans ms,sans-serif" class=""> Can anyone please tell me how to increase number of iteration in molpro for doing CASPT2 calculation.<br class=""><br class=""><br class=""></div><div style="font-family:comic sans ms,sans-serif" class="">Thanking you<br clear="all" class=""></div><div class=""><div class=""><div dir="ltr" class=""><div class=""><div dir="ltr" class=""><b class=""><span style="font-family:'comic sans ms',sans-serif;background-color:rgb(255,0,0)" class="">Mr. Jyotirmoy Ray<br class="">Int. PhD. student<br class="">SGR's lab<br class="">Inorganic & Physical Chemistry Unit<br class="">Indian Institute of Science, Bangalore<br class="">Pin-560 012<br class="">Mobile No. : <a href="tel:9902235995" value="+919902235995" target="_blank" class="">9902235995</a></span></b><br class=""></div></div></div></div></div>
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