<div dir="ltr">Dear <span style="font-size:12.8px;font-weight:bold;white-space:nowrap">Paolo Giannozzi</span><div><span style="font-size:12.8px;font-weight:bold;white-space:nowrap"><br></span></div><div><span style="font-size:12.8px;white-space:nowrap"><b>here is my input file and out put. the program reads from input and write the coordinates in output before starting any calculations. </b></span></div><div><span style="font-size:12.8px;white-space:nowrap"><b>But the coordinates in output are all different.</b></span></div><div><span style="font-size:12.8px;white-space:nowrap"><b><br></b></span></div><div><span style="font-size:12.8px;white-space:nowrap"><b>Thank you for your help.</b></span></div><div><span style="font-size:12.8px;white-space:nowrap"><b><br></b></span></div><div><span style="font-size:12.8px;white-space:nowrap"><b>Naseem</b></span></div></div><div class="gmail_extra"><br clear="all"><div><div class="gmail_signature" data-smartmail="gmail_signature"><div dir="ltr">Naseem Ud Din<br>Graduate Student<br>University of Central Florida<br>Orlando USA<br>Cell # +1-407-683-3016</div></div></div>
<br><div class="gmail_quote">On Mon, Jun 27, 2016 at 1:34 PM, Paolo Giannozzi <span dir="ltr"><<a href="mailto:p.giannozzi@gmail.com" target="_blank">p.giannozzi@gmail.com</a>></span> wrote:<br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">Please support your claim with some data, such as e.g. input and output files<br>
<br>
Paolo<br>
<div><div class="h5"><br>
On Mon, Jun 27, 2016 at 6:32 PM, naseem <<a href="mailto:naseem91@gmail.com">naseem91@gmail.com</a>> wrote:<br>
> Dear All<br>
><br>
> I am trying to calculate reaction barrier using neb. The program doesn't<br>
> read the coordinates correctly for intermediate image. It reads correctly<br>
> the coordinates of initial and final image.<br>
><br>
> Any help is really appreciated.<br>
><br>
> thanks<br>
><br>
> Naseem Ud Din<br>
> Graduate Student<br>
> University of Central Florida<br>
> Orlando USA<br>
> Cell # <a href="tel:%2B1-407-683-3016" value="+14076833016">+1-407-683-3016</a><br>
><br>
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<span class="HOEnZb"><font color="#888888"><br>
<br>
<br>
--<br>
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,<br>
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy<br>
Phone <a href="tel:%2B39-0432-558216" value="+390432558216">+39-0432-558216</a>, fax <a href="tel:%2B39-0432-558222" value="+390432558222">+39-0432-558222</a><br>
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