Both <span id="result_box" class="short_text" lang="en"><span class="hps">terminal</span></span> entering step by step and <span id="result_box" class="short_text" lang="en"><span class="hps"></span></span>script can not be work when using 'phonon_dos.x <frequency'.And the fc file is not wrong,the dispersion cure can be obtained. So anyone could help me ? Many way I have done, but I really could find the right way.<br>
<br><div class="gmail_quote">2011/9/8 lucking-pine <span dir="ltr"><<a href="mailto:songsong19840614@gmail.com">songsong19840614@gmail.com</a>></span><br><blockquote class="gmail_quote" style="border-left: 1px solid rgb(204, 204, 204); margin: 0pt 0pt 0pt 0.8ex; padding-left: 1ex;">
<div><div></div><div class="h5"><br><br><div class="gmail_quote">---------- Forwarded message ----------<br>From: <b class="gmail_sendername">lucking-pine</b> <span dir="ltr"><<a href="mailto:songsong19840614@gmail.com" target="_blank">songsong19840614@gmail.com</a>></span><br>
Date: 2011/9/7<br>Subject: QHA calculated error !<br>To: <a href="mailto:Pw_forum@pwscf.org" target="_blank">Pw_forum@pwscf.org</a><br><br><br><div>Hi,</div>
<div> Recently,I want to calculated the partial_dos of phonon by QHA.Then,I have compiled it and run examples successfully.However,I run the ZnO.fc I calculated is failed.</div>
<div>The step is followed:</div>
<div>1.Using ttrinp to generate K point by ...../QHA/bin/tetra.x.../QHA/bin/tetra.x</div>
<div>2.Copy k point into <a href="http://matdy.in" target="_blank">matdy.in</a> and then using .../bin/matdyn.x<<a href="http://matdyn.in" target="_blank">matdyn.in</a>>matdyn.out to generate 'frequency'</div>
<div>3.Using ../QHA/bin/Partial_phonon_DOS.x < <a href="http://phdos1.in" target="_blank">phdos1.in</a></div>
<div>4.Using ../QHA/bin/phonon_dos.x <frequency<br>How ever, I get these information instead of runing phonon_dos.x:</div>
<div>natoms== 4<br>irec==== 168<br> 0.750000000000000 <br>forrtl: severe (24): end-of-file during read, unit 9, file /opt/espresso-4.2.1/QHA/Examples/ZnO/<a href="http://phdos.in" target="_blank">phdos.in</a><br>
Image PC Routine Line Source <br>
phonon_dos.x 000000000048FCCD Unknown Unknown Unknown<br>phonon_dos.x 000000000048E7D5 Unknown Unknown Unknown<br>phonon_dos.x 0000000000440F40 Unknown Unknown Unknown<br>
phonon_dos.x 000000000040778F Unknown Unknown Unknown<br>phonon_dos.x 0000000000406FC2 Unknown Unknown Unknown<br>phonon_dos.x 00000000004232EB Unknown Unknown Unknown<br>
phonon_dos.x 00000000004009C1 Unknown Unknown Unknown<br>phonon_dos.x 00000000004002EC Unknown Unknown Unknown<br>phonon_dos.x 000000000049B060 Unknown Unknown Unknown<br>
phonon_dos.x 00000000004001B9 Unknown Unknown Unknown<br><br>Norm of the difference between old and new effective charges: 0.00000000000000000000<br>Norm of the difference between old and new force-constants: 0.00054944988447139730<br>
Message from routine matdyn:<br> Z* not found in file ZnO.fc, TO-LO splitting at q=0 will be absent!<br> A direction for q was not specified:TO-LO splitting will be absent </div>
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<div>But I have the <a href="http://phdos.in" target="_blank">phdos.in</a> file.And I try to replace the frequency file using the file of example of AlAs,the the 'phonon_dos.x ' can be runed. So please what is wrong in my work.</div>
<div>Thanks.</div>
<div>Best Regards</div>
<div>Pine.</div><font color="#888888">
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