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    you have to use the ld1.x code.<br>
    <br>
    On 09/08/2011 03:49 AM, GAO Zhe wrote:
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      cite="mid:69befe2d.11631.13246b9c1b0.Coremail.flux_ray12@163.com"
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      <div style="line-height: 1.7; color: rgb(0, 0, 0); font-size:
        14px; font-family: arial;">QE is pseudo-potential method DFT
        software instead of all-electron method, unless you make
        all-electron pseudo-potential by using ld1.x ( I do not
        guarantee it could be successful ).<br>
        If you really wanna use all-electron method, you'd better to use
        the DFT software implemented FLAPW, such like Wien2k.<br>
        <br>
        <div>--<br>
          GAO Zhe<br>
          CMC Lab, MSE, SNU, Seoul, S.Korea<br>
        </div>
        <br>
        At 2011-09-08
        00:45:45,"Tram Bui" <a class="moz-txt-link-rfc2396E" href="mailto:trambui@u.boisestate.edu"><trambui@u.boisestate.edu></a> wrote:<br>
        <blockquote id="isReplyContent" style="padding-left: 1ex;
          margin: 0px 0px 0px 0.8ex; border-left: 1px solid rgb(204,
          204, 204);">Dear Everyone,<br>
              <b> I'm trying to run a quick all electron calculation for
            Cs. where I have the input file(<a moz-do-not-send="true"
              href="http://cs.in">cs.in</a>) as below: </b><br>
          &input<br>
               title='Cs',<br>
               zed=55.0,<br>
               iswitch=1,<br>
               dft='PBE',<br>
               config='[Xe] 6s1 5d0 6p0 '<br>
           /<br>
          <b>then I run bin/pw.x < <a moz-do-not-send="true"
              href="http://cs.in">cs.in</a> > cs.out. I got an error
            message saying </b><br>
          "from  read_namelists  : error #         1<br>
          reading namelist control"<br>
          <b>what might have been wrong in my code? is pw.x is the right
            command for all electron calculation? <br>
            <br>
          </b><br clear="all">
          Thank you very much, <br>
          Tram Bui<br>
          <br>
          M.S. Materials Science & Engineering<br>
          <a moz-do-not-send="true"
            href="mailto:trambui@u.boisestate.edu" target="_blank">trambui@u.boisestate.edu</a><br>
          <br>
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