<div>hi Paolo:</div>
<div>thank your reply firstly ,yes,</div>
<div>the mode has been recalculate,but there is only new frequency in outfile,no new vibrational vector present which is my wanted. <br>how can i get it ?</div>
<div>look forward to your further advise .</div>
<div>thank you <br> </div>
<div><span class="gmail_quote">2007/11/19, Paolo Giannozzi <<a href="mailto:giannozz@nest.sns.it">giannozz@nest.sns.it</a>>:</span>
<blockquote class="gmail_quote" style="PADDING-LEFT: 1ex; MARGIN: 0px 0px 0px 0.8ex; BORDER-LEFT: #ccc 1px solid"><br>On Nov 19, 2007, at 8:36 , xu yuehua wrote:<br><br>> i am now computing ir-intensity.and in the input file, i add lo-
<br>> to split .<br>> and the result is that some vibration frequency is changed<br>> corresponding<br>> to the *.dynG. and my question is once adding lo-to split, does the<br>> vibrational<br>> model including vibrational vector changed ? if it does, how to get
<br>> the changed<br>> vector, because i need to plot the graph about the mode .<br><br>program "dynmat.x" recalculates the normal modes: just calculate them<br>with<br>lo-to split, save them to file for plotting
<br><br>Paolo<br>---<br>Paolo Giannozzi, Dept of Physics, University of Udine<br>via delle Scienze 208, 33100 Udine, Italy<br>Phone +39-0432-558216, fax +39-0432-558222<br><br><br><br>_______________________________________________
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</div><br><br clear="all"><br>-- <br>Xu Yuehua<br>physics Department of Nanjing university<br>China