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    <div class="moz-cite-prefix">The path name in your email has
      xcrysden-1.5.53.  Have you tried with the latest xcrysden-1.5.60 [
      <a class="moz-txt-link-freetext" href="http://www.xcrysden.org/Download.html">http://www.xcrysden.org/Download.html</a> ]?<br>
      <br>
      The file named ChangeLog in
      xcrysden-1.5.60-linux_x86_64-semishared.tar.gz shows that
      xcrysden-1.5.60 contains several fixes to pwi2xsf that <span
        class="">xcrysden-1.5.53 doesn't have.</span><br>
      <br>
      On 8/25/2016 2:55 PM, mohaddeseh abbasnejad wrote:<br>
    </div>
    <blockquote
cite="mid:CAF3mdWML+teod=M5NLxq5wP81j=+Y-QFqrcpf_F+6Y5eaAwOVA@mail.gmail.com"
      type="cite">
      <div dir="ltr">
        <div>
          <div>
            <div>
              <div>
                <div>
                  <div>Dear Matic,<br>
                    <br>
                  </div>
                  Thank you for your reply.<br>
                </div>
                I have attached the input file.<br>
              </div>
              The result of pwi2xsf is also OK, without any problem.<br>
            </div>
            Again thank you.<br>
            <br>
          </div>
          Bests,<br>
        </div>
        Mohaddeseh<br>
      </div>
      <div class="gmail_extra"><br>
        <div class="gmail_quote">On Thu, Aug 25, 2016 at 1:27 PM, Matic
          Poberznik <span dir="ltr">&lt;<a moz-do-not-send="true"
              href="mailto:matic.poberznik@gmail.com" target="_blank">matic.poberznik@gmail.com</a>&gt;</span>
          wrote:<br>
          <blockquote class="gmail_quote" style="margin:0 0 0
            .8ex;border-left:1px #ccc solid;padding-left:1ex">Dear
            Mohaddeseh,<br>
            <br>
            Could you attach the <a moz-do-not-send="true"
              href="http://pw.in" rel="noreferrer" target="_blank">pw.in</a>
            you're trying to open as well (in-Ti-OV)?<br>
            <br>
            &gt;From what I can see it seems that xcrysden doesn't find
            any coordinates,<br>
            and for some reason it wants to open a datagrid, but I
            really can't tell<br>
            more without the input.<br>
            <br>
            Maybe try pwi2xsf.sh in the terminal by itself:<br>
            <br>
            pwi2xsf.sh in-Ti-OV<br>
            <br>
            and try to see if there are any errors in the xsf file it
            produces. Hope<br>
            this helps,<br>
            <br>
            best regards,<br>
            <br>
            Matic<br>
            <br>
            Matic Poberznik<br>
            J. Stefan Institute, Jamova 39, 1000 Ljubljana, Slovenia<br>
            <span class=""><br>
              On 08/25/2016 07:27 AM, mohaddeseh abbasnejad wrote:<br>
              &gt; Dear users,<br>
              &gt;<br>
              &gt; It is about a few days I have faced a strange
              problem.<br>
              &gt; Actually, xcrysden is working for visualising all the
              input files of PWscf.<br>
              &gt; Unfortunately, after I updated one of the input files
              ( obtained from<br>
              &gt; the vc-relax calculations), it stops and give me such
              an error:<br>
              &gt; ERROR: an error occurred while trying to update a
              structure; Error<br>
              &gt; reading file /tmp/xc_3330/xc_struc.3330.<br>
              &gt; However, the PWscf is running well with the updated
              structure.<br>
              &gt; I used the following command:<br>
              &gt;<br>
              &gt; mohaddeseh@mohaddeseh-<wbr>Vostro1310:~/Desktop$
              xcrysden --pwi in-Ti-OV<br>
              &gt;<br>
              &gt; +-----------------------------<wbr>------------------------------<wbr>------+<br>
              &gt; |*****************************<wbr>******************************<wbr>******|<br>
              &gt; |*                                                   
                         *|<br>
              &gt; |*  XCrySDen -- (X-Window) CRYstalline Structures and
              DENsities  *|<br>
              &gt; |*               =         ===         =             
              ===        *|<br>
              &gt; |*----------------------------<wbr>------------------------------<wbr>-----*|<br>
              &gt; |*                                                   
                         *|<br>
              &gt; |*    Anton Kokalj (<a moz-do-not-send="true"
                href="mailto:tone.kokalj@ijs.si">tone.kokalj@ijs.si</a><br>
            </span>&gt; &lt;mailto:<a moz-do-not-send="true"
              href="mailto:tone.kokalj@ijs.si">tone.kokalj@ijs.si</a>&gt;) 
                                    *|<br>
            <span class="">&gt; |*    Jozef Stefan Institute, Ljubljana,
              Slovenia                *|<br>
              &gt; |*                                                   
                         *|<br>
              &gt; |*    Copyright (c) 1996--2012 by Anton Kokalj       
                         *|<br>
              &gt; |*                                                   
                         *|<br>
              &gt; |*****************************<wbr>******************************<wbr>******|<br>
              &gt; +-----------------------------<wbr>------------------------------<wbr>------+<br>
              &gt;<br>
              &gt;   Version: 1.5.53<br>
              &gt;<br>
            </span>&gt;   Please report bugs to: <a
              moz-do-not-send="true" href="mailto:tone.kokalj@ijs.si">tone.kokalj@ijs.si</a>
            &lt;mailto:<a moz-do-not-send="true"
              href="mailto:tone.kokalj@ijs.si">tone.kokalj@ijs.si</a>&gt;<br>
            <div>
              <div class="h5">&gt;<br>
                &gt;<br>
                &gt;   TERMS OF USE:<br>
                &gt;   -------------<br>
                &gt;   XCRYSDEN is released under the GNU General Public
                License.<br>
                &gt;<br>
                &gt;   Whenever graphics generated by XCRYSDEN are used
                in scientific<br>
                &gt;   publications, it shall be greatly appreciated to
                include an explicit<br>
                &gt;   reference. The preferred form is the following:<br>
                &gt;<br>
                &gt;   [ref] A. Kokalj, Comp. Mater. Sci., Vol. 28, p.
                155, 2003.<br>
                &gt;         Code available from <a
                  moz-do-not-send="true" href="http://www.xcrysden.org/"
                  rel="noreferrer" target="_blank">http://www.xcrysden.org/</a>.<br>
                &gt;<br>
                &gt; XCRYSDEN_TOPDIR=/opt/exp_<wbr>softs/tools/xcrysden-1.5.53/<wbr>share/xcrysden-1.5.53<br>
                &gt; XCRYSDEN_SCRATCH=/tmp<br>
                &gt;<br>
                &gt; Running on platform : unix<br>
                &gt;    Operating system : Linux<br>
                &gt; Package ImageMagick's convert: /usr/bin/convert<br>
                &gt; Package ImageMagick's import: /usr/bin/import<br>
                &gt; Package Ppmtompeg: /usr/bin/ppmtompeg<br>
                &gt; Package Babel: /usr/bin/babel<br>
                &gt; Package Xwd: /usr/bin/xwd<br>
                &gt; Executing: /opt/exp_softs/tools/xcrysden-<wbr>1.5.53/lib/xcrysden-1.5.53/<wbr>ftnunit<br>
                &gt; TEXT-WIDGET: .a1.f1.t<br>
                &gt; Executing: sh<br>
                &gt; /opt/exp_softs/tools/xcrysden-<wbr>1.5.53/share/xcrysden-1.5.53/<wbr>scripts/pwi2xsf.sh<br>
                &gt; /home/mohaddeseh/Desktop/in-<wbr>Ti-OV<br>
                &gt; reading PRIMCOORD<br>
                &gt; Number of Atoms:  0<br>
                &gt; Number of Frames: 0<br>
                &gt; Estimated number of bonds = 0<br>
                &gt; sInfo(dim) = 3; periodic(dim) = 3<br>
                &gt; Executing:<br>
                &gt; /opt/exp_softs/tools/xcrysden-<wbr>1.5.53/lib/xcrysden-1.5.53/<wbr>gengeom
                0 1 11<br>
                &gt; 1 1 1 1 xc_gengeom.3330
                /tmp/xc_3330/pwi2xsf.xsf_out.<wbr>raw<br>
                &gt; Executing:<br>
                &gt; /opt/exp_softs/tools/xcrysden-<wbr>1.5.53/lib/xcrysden-1.5.53/<wbr>gengeom
                2 1 11<br>
                &gt; 1 1 1 1 /tmp/xc_3330/xc_struc.3330
                /tmp/xc_3330/pwi2xsf.xsf_out.<wbr>raw<br>
                &gt; reading PRIMCOORD<br>
                &gt; reading CONVCOORD<br>
                &gt; "/tmp/xc_3330/xc_struc.3330"<br>
                &gt; Error in startup script: can't read
                "sInfo(ldatagrid2D)": no such variable<br>
                &gt;     while executing<br>
                &gt; "if { $sInfo(ldatagrid2D) || $sInfo(ldatagrid3D) }
                {<br>
                &gt;     $m.menu entryconfig "Data Grid" -state normal<br>
                &gt;     } else {<br>
                &gt;     $m.menu entryconfig "Data Grid" -stat..."<br>
                &gt;     (procedure "Get_sInfoArray" line 13)<br>
                &gt;     invoked from within<br>
                &gt; "Get_sInfoArray"<br>
                &gt;     (procedure "xsfOpen" line 92)<br>
                &gt;     invoked from within<br>
                &gt; "xsfOpen $program_output .mesa"<br>
                &gt;     (procedure "openExtStruct" line 183)<br>
                &gt;     invoked from within<br>
                &gt; "openExtStruct 3 crystal external  [list sh<br>
                &gt; $system(TOPDIR)/scripts/<wbr>pwi2xsf.sh] 
                pwi2xsf.xsf_out  {PWSCF Input File}<br>
                &gt; ANGS  -file $filedir  -preset pwIn..."<br>
                &gt;     invoked from within<br>
                &gt; "if [file exists $filedir] {<br>
                &gt;             # pop-up Viewer<br>
                &gt;             ViewMol .<br>
                &gt;             openExtStruct 3 crystal external  [list
                sh<br>
                &gt; $system(TOPDIR)/scripts/<wbr>pwi2xsf.sh] 
                pwi2xsf..."<br>
                &gt;     (procedure "parseComLinArg" line 89)<br>
                &gt;     invoked from within<br>
                &gt; "parseComLinArg [lrange $argv 2 end]"<br>
                &gt;     invoked from within<br>
                &gt; "if { [llength $argv] &gt; 2 } {<br>
                &gt;     parseComLinArg [lrange $argv 2 end]<br>
                &gt; } else {<br>
                &gt;     ViewMol .<br>
                &gt; }"<br>
                &gt;     (file<br>
                &gt; "/opt/exp_softs/tools/<wbr>xcrysden-1.5.53/share/<wbr>xcrysden-1.5.53/Tcl/xcInit.<wbr>tcl"<br>
                &gt; line 609)<br>
                &gt;<br>
                &gt; Any help would be appreciated.<br>
                &gt; Thanks in advance.<br>
                &gt; Regards,<br>
                &gt; Mohaddeseh<br>
                &gt;<br>
                &gt;<br>
                &gt; --<br>
                &gt; ------------------------------<wbr>---------------------------<br>
                &gt;<br>
                &gt; Mohaddeseh Abbasnejad,<br>
                &gt; Room No. 323, Department of Physics,<br>
                &gt; University of Tehran, North Karegar Ave.,<br>
                &gt; Tehran, P.O. Box: 14395-547- IRAN<br>
                &gt; Tel. No.: +98 21 6111 8634  &amp; Fax No.: +98 21
                8800 4781<br>
                &gt; Cellphone: +98 917 731 7514<br>
              </div>
            </div>
            &gt; E-Mail:     <a moz-do-not-send="true"
              href="mailto:m.abbasnejad@gmail.com">m.abbasnejad@gmail.com</a>
            &lt;mailto:<a moz-do-not-send="true"
              href="mailto:m.abbasnejad@gmail.com">m.abbasnejad@gmail.com</a><wbr>&gt;<br>
            &gt; Website:  <a moz-do-not-send="true"
              href="http://physics.ut.ac.ir" rel="noreferrer"
              target="_blank">http://physics.ut.ac.ir</a><br>
            &gt;<br>
            &gt; ------------------------------<wbr>---------------------------<br>
            &gt;<br>
            &gt;<br>
            &gt; ______________________________<wbr>_________________<br>
            &gt; XCrySDen mailing list<br>
            &gt; <a moz-do-not-send="true"
              href="mailto:XCrySDen@democritos.it">XCrySDen@democritos.it</a><br>
            &gt; <a moz-do-not-send="true"
              href="http://www.democritos.it/mailman/listinfo/xcrysden"
              rel="noreferrer" target="_blank">http://www.democritos.it/<wbr>mailman/listinfo/xcrysden</a><br>
            &gt;<br>
            ______________________________<wbr>_________________<br>
            XCrySDen mailing list<br>
            <a moz-do-not-send="true"
              href="mailto:XCrySDen@democritos.it">XCrySDen@democritos.it</a><br>
            <a moz-do-not-send="true"
              href="http://www.democritos.it/mailman/listinfo/xcrysden"
              rel="noreferrer" target="_blank">http://www.democritos.it/<wbr>mailman/listinfo/xcrysden</a><br>
          </blockquote>
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        <br>
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        <br>
        -- <br>
        <div class="gmail_signature" data-smartmail="gmail_signature">---------------------------------------------------------<br>
          <br>
          Mohaddeseh Abbasnejad, <br>
          Room No. 323, Department of Physics, <br>
          University of Tehran, North Karegar Ave.,<br>
          Tehran, P.O. Box: 14395-547- IRAN <br>
          Tel. No.: +98 21 6111 8634  &amp; Fax No.: +98 21 8800 4781<br>
          Cellphone: +98 917 731 7514<br>
          E-Mail:     <a moz-do-not-send="true"
            href="mailto:m.abbasnejad@gmail.com" target="_blank">m.abbasnejad@gmail.com</a><br>
          Website:  <a moz-do-not-send="true"
            href="http://physics.ut.ac.ir" target="_blank">http://physics.ut.ac.ir</a><br>
        </div>
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