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    Dear <font class="Apple-style-span" face="arial, sans-serif"><span
        class="Apple-style-span" style="border-collapse: collapse;">Sanjeev,<br>
        <br>
        Thank you for noticed it.<br>
        I've just ask to the administrator the compile it with ifort.<br>
        We'll see.<br>
        <br>
        &nbsp;&nbsp;&nbsp;&nbsp; &Eacute;ric.<br>
      </span></font><br>
    On 10/06/2011 11:49 PM, Sanjeev Gupta wrote:
    <blockquote
cite="mid:CAB4TLPLumh3zZVpO3+-+L0zBKgu5mMNpwyr1-cRJgoeu6usyQA@mail.gmail.com"
      type="cite">Dear&nbsp;&Eacute;ric Germaneau
      <div><br>
      </div>
      <div>Please follow the recent link of &nbsp;"<span
          class="Apple-style-span" style="font-family: arial,
          sans-serif; font-size: 16px; border-collapse: collapse; ">problem
          in vc-relax", there is something same problem (If i understood
          correctly), Prof.&nbsp;</span><span class="Apple-style-span"
          style="font-family: arial, sans-serif; font-size: 13px;
          border-collapse: collapse; font-weight: bold; white-space:
          nowrap; -webkit-border-horizontal-spacing: 2px;
          -webkit-border-vertical-spacing: 2px; ">Paolo Giannozzi
          suggested that, this is&nbsp;</span><span class="Apple-style-span"
          style="font-family: arial, sans-serif; font-size: 13px;
          border-collapse: collapse; ">Gfortran problem.</span></div>
      <div><span class="Apple-style-span" style="font-family: arial,
          sans-serif; font-size: 13px; border-collapse: collapse; "><br>
        </span></div>
      <div><font class="Apple-style-span" face="arial, sans-serif"><span
            class="Apple-style-span" style="border-collapse: collapse;">Thanks</span></font></div>
      <div><font class="Apple-style-span" face="arial, sans-serif"><span
            class="Apple-style-span" style="border-collapse: collapse;"><br>
          </span></font></div>
      <div><font class="Apple-style-span" face="arial, sans-serif"><span
            class="Apple-style-span" style="border-collapse: collapse;">Sanjeev</span></font></div>
      <div><font class="Apple-style-span" face="arial, sans-serif"><span
            class="Apple-style-span" style="border-collapse: collapse;"><br>
          </span></font>
        <div><br>
          <div class="gmail_quote">2011/10/7 &Eacute;ric Germaneau <span
              dir="ltr">&lt;<a moz-do-not-send="true"
                href="mailto:germaneau@gucas.ac.cn">germaneau@gucas.ac.cn</a>&gt;</span><br>
            <blockquote class="gmail_quote" style="margin:0 0 0
              .8ex;border-left:1px #ccc solid;padding-left:1ex;">
              <div bgcolor="#CCCCFF" text="#330000"> Dear all,<br>
                <br>
                Can someone tell me the meaning of the error
                <div class="im"><br>
                  <blockquote><font color="#ff0000">&nbsp;&nbsp;&nbsp;&nbsp; from calbec :
                      error #&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 1</font><br>
                    <font color="#ff0000"> &nbsp;&nbsp;&nbsp;&nbsp; size mismatch</font><br>
                  </blockquote>
                </div>
                when running ph.x.<br>
                <br>
                Thank you,<br>
                <br>
                &nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; &Eacute;ric.
                <div>
                  <div class="h5"><br>
                    <br>
                    On 10/05/2011 08:45 AM, &Eacute;ric Germaneau wrote: </div>
                </div>
                <blockquote type="cite">
                  <div>
                    <div class="h5"> Dear all,<br>
                      <br>
                      I'm attempting to compute phonon at gamma point of
                      a 2x2x2 crystal structure but I get the error
                      bellow :<br>
                      <blockquote><font color="#000066"><b>.....</b><br>
                          &nbsp;&nbsp;&nbsp;&nbsp; Atomic displacements:<br>
                          &nbsp;&nbsp;&nbsp;&nbsp; There are 192 irreducible representations<br>
                          <br>
                          &nbsp;&nbsp;&nbsp;&nbsp; Representation&nbsp;&nbsp;&nbsp;&nbsp; 1&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 1 modes - To be
                          done<br>
                          <br>
                          &nbsp;&nbsp;&nbsp;&nbsp; Representation&nbsp;&nbsp;&nbsp;&nbsp; 2&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 1 modes - To be
                          done<br>
                          <b>....</b><br>
                          &nbsp;&nbsp;&nbsp;&nbsp; Representation&nbsp;&nbsp; 191&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 1 modes - To be
                          done<br>
                          <br>
                          &nbsp;&nbsp;&nbsp;&nbsp; Representation&nbsp;&nbsp; 192&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 1 modes - To be
                          done<br>
                          <br>
                          <br>
                          &nbsp;&nbsp;&nbsp;&nbsp; Alpha used in Ewald sum =&nbsp;&nbsp; 2.8000<br>
                          &nbsp;&nbsp;&nbsp;&nbsp; PHONON&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; : 51m 2.98s CPU&nbsp;&nbsp;&nbsp; 51m13.49s
                          WALL<br>
                          <br>
                          <br>
                          &nbsp;&nbsp;&nbsp;&nbsp; Electric Fields Calculation<br>
                          <br>
&nbsp;%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%</font><br>
                        <font color="#ff0000">&nbsp;&nbsp;&nbsp;&nbsp; from calbec : error
                          #&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 1<br>
                          &nbsp;&nbsp;&nbsp;&nbsp; size mismatch</font><br>
                        <font color="#000066">&nbsp;%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<br>
                          <br>
                          &nbsp;&nbsp;&nbsp;&nbsp; stopping ...<br>
                          Signal 15 received.<br>
                          Signal 15 received.<br>
                          Signal 15 received.<br>
                          Signal 15 received.<br>
                          Signal 15 received.<br>
                          Signal 15 received.<br>
                          Signal 15 received.<br>
                          Signal 15 received.<br>
                          Signal 15 received.<br>
                          Signal 15 received.<br>
                          Signal 15 received.<br>
                          Signal 15 received.<br>
                          Signal 15 received.</font><br>
                      </blockquote>
                      Here is my input<br>
                      <blockquote><font color="#000066">phonons<br>
                          &nbsp;&amp;inputph<br>
                          &nbsp; tr2_ph=1.0d-14,<br>
                          &nbsp;
                          prefix='S007__086_B4N4.vcrelax.vcrelax_2x2x2',<br>
                          &nbsp; epsil=.true.,<br>
                          &nbsp; amass(1)=10.811000,<br>
                          &nbsp; amass(2)=14.006700,<br>
                          &nbsp;&nbsp;&nbsp; outdir='./SCF_PH',<br>
                          &nbsp;&nbsp;&nbsp;
                          fildyn='S007__086_B4N4.vcrelax.vcrelax_2x2x2.dynG',<br>
                          &nbsp;&nbsp; /<br>
                          &nbsp; 0.0 0.0 0.0</font><br>
                      </blockquote>
                      What sounds weird to me is that I don't have any
                      problem when I perform the same calculation on the
                      unit cell, I mean the 1x1x1 structure.<br>
                      Before running ph.x I do a regular scf calculation
                      at gamma point only which ends normally:<br>
                      <blockquote><font color="#000066">K_POINTS
                          automatic<br>
                          1 1 1&nbsp;&nbsp; 0 0 0</font><br>
                      </blockquote>
                      I generate my supercell from the optimized unit
                      cell and do not optimized it again due to time
                      consuming.<br>
                      I don't have much experience in phonon
                      calculations so any hits are welcome.<br>
                      Thank you,<br>
                      <br>
                      &nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; &Eacute;ric.<br>
                      <br>
                      <div>-- <br>
                        <center> <font color="#946e8c"> <em> Be the
                              change you wish to see in the world<br>
                            </em> <small> <font color="#946e8c"> &#8212;
                                Mahatma Gandhi &#8212;<br>
                              </font></small> <br>
                            <a moz-do-not-send="true"
                              href="http://www.linkedin.com/pub/%C3%A9ric-germaneau/30/931/986"
                              target="_blank">Dr. &Eacute;ric Germaneau</a><br>
                            <br>
                            Graduate University of Chinese Academy of
                            Sciences<br>
                            College of Physical Sciences<br>
                            Yuquan Road 19A<br>
                            Beijing 100049<br>
                            China<br>
                            <br>
                            <small> <em> <font style="color:#498848"
                                  face="Times"> Please, if possible,
                                  don't send me MS Word or PowerPoint
                                  attachments<br>
                                  Why? See: <a moz-do-not-send="true"
                                    href="http://www.gnu.org/philosophy/no-word-attachments.html"
                                    style="text-decoration:none"
                                    target="_blank"><font
                                      color="#498848">http://www.gnu.org/philosophy/no-word-attachments.html</font></a>
                                </font></em> </small> </font></center>
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                </blockquote>
                <div class="im"> <br>
                  <div>-- <br>
                    <center> <font color="#946e8c"> <em> Be the change
                          you wish to see in the world<br>
                        </em> <small> <font color="#946e8c"> &#8212; Mahatma
                            Gandhi &#8212;<br>
                          </font></small> <br>
                        <a moz-do-not-send="true"
                          href="http://www.linkedin.com/pub/%C3%A9ric-germaneau/30/931/986"
                          target="_blank">Dr. &Eacute;ric Germaneau</a><br>
                        <br>
                        Graduate University of Chinese Academy of
                        Sciences<br>
                        College of Physical Sciences<br>
                        Yuquan Road 19A<br>
                        Beijing 100049<br>
                        China<br>
                        <br>
                        <small> <em> <font style="color:#498848"
                              face="Times"> Please, if possible, don't
                              send me MS Word or PowerPoint attachments<br>
                              Why? See: <a moz-do-not-send="true"
                                href="http://www.gnu.org/philosophy/no-word-attachments.html"
                                style="text-decoration:none"
                                target="_blank"><font color="#498848">http://www.gnu.org/philosophy/no-word-attachments.html</font></a>
                            </font></em> </small> </font></center>
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              <br>
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          <br>
          <br clear="all">
          <div><br>
          </div>
          -- <br>
          <b>Dr. Sanjeev Kumar Gupta</b><br>
          <b><span style="color:rgb(0, 0, 153)">Post Doctoral Fellow,</span><br
              style="color:rgb(0, 0, 153)">
            <span style="color:rgb(0, 0, 153)"></span><i
              style="color:rgb(0, 0, 153)">(Ministry of New and
              Renewable Energy</i><span style="color:rgb(0, 0, 153)">)</span><br
              style="color:rgb(0, 0, 153)">
            <span style="color:rgb(0, 153, 0)">Department of Physics,</span><br
              style="color:rgb(0, 153, 0)">
            <span style="color:rgb(0, 153, 0)">Bhavnagar University,
              Bhavnagar-364 022</span><br style="color:rgb(0, 153, 0)">
            <span style="color:rgb(0, 153, 0)">Gujarat, India</span></b><br>
          <br>
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    </blockquote>
    <br>
    <div class="moz-signature">-- <br>
      <center>
        <font color="#946e8c">
          <em>
            Be the change you wish to see in the world<br>
          </em>
          <small>
            <font color="#946e8c">
              &#8212; Mahatma Gandhi &#8212;<br>
            </font></small>
          <br>
          <a
            href="http://www.linkedin.com/pub/%C3%A9ric-germaneau/30/931/986">Dr.
            &Eacute;ric Germaneau</a><br>
          <br>
          Graduate University of Chinese Academy of Sciences<br>
          College of Physical Sciences<br>
          Yuquan Road 19A<br>
          Beijing 100049<br>
          China<br>
          <br>
          <small>
            <em>
              <font style="color: #498848" face="Times">
                Please, if possible, don't send me MS Word or PowerPoint
                attachments<br>
                Why? See: <a
                  href="http://www.gnu.org/philosophy/no-word-attachments.html"
                  style="text-decoration:none"><font color="#498848">http://www.gnu.org/philosophy/no-word-attachments.html</font></a>
              </font></em>
          </small>
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