<div dir="ltr">Please check is there any imaginary frequencies.<br></div><div class="gmail_extra"><br><br><div class="gmail_quote">On Mon, Nov 4, 2013 at 12:24 AM, henry odhiambo <span dir="ltr"><<a href="mailto:henod2001@yahoo.com" target="_blank">henod2001@yahoo.com</a>></span> wrote:<br>

<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><div><div style="font-size:12pt;font-family:HelveticaNeue,Helvetica Neue,Helvetica,Arial,Lucida Grande,sans-serif"><div>

<span>Hello all,</span></div><div style="font-style:normal;font-size:16px;background-color:transparent;font-family:HelveticaNeue,Helvetica Neue,Helvetica,Arial,Lucida Grande,sans-serif"><br><span></span></div><div style="font-style:normal;font-size:16px;background-color:transparent;font-family:HelveticaNeue,Helvetica Neue,Helvetica,Arial,Lucida Grande,sans-serif">

<span>The QHA calculation seems to be running well but I cannot get values for F_vib and entropy. Instead I get 'NAN'.</span></div><div style="font-style:normal;font-size:16px;background-color:transparent;font-family:HelveticaNeue,Helvetica Neue,Helvetica,Arial,Lucida Grande,sans-serif">

<br><span></span></div><div style="font-style:normal;font-size:16px;background-color:transparent;font-family:HelveticaNeue,Helvetica Neue,Helvetica,Arial,Lucida Grande,sans-serif"><span>What would be the cause? <br></span></div>

<div style="font-style:normal;font-size:16px;background-color:transparent;font-family:HelveticaNeue,Helvetica Neue,Helvetica,Arial,Lucida Grande,sans-serif"><span><br></span></div><div style="font-style:normal;font-size:16px;background-color:transparent;font-family:HelveticaNeue,Helvetica Neue,Helvetica,Arial,Lucida Grande,sans-serif">

<span>Please, help.<br></span></div><div> </div><div><font face="arial, helvetica, sans-serif" color="#ff0000">Henry Odhiambo Otunga<br>Department of Physics and Materials Science<br>Maseno University<br>Kenya</font></div>

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Department of Physics </i><br><div><i>Indian Institute of Technology</i></div><div><i>Hyderabad</i></div>
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