<div style="line-height:1.7;color:#000000;font-size:14px;font-family:Arial"><p class="MsoNormal"><span lang="EN-US">Hello, Stefano</span></p>

<p class="MsoNormal"><span lang="EN-US">Thank you for your sharp and immediate
reply for my question.</span></p>

<p class="MsoNormal"><span lang="EN-US">So, can you show me how to specify the
coordinates of X point (and other points) in brillouin zone of bcc lattice
structure (GaAs crystal), and obtain the correct band structure of GaAs. I write
the k points (in unit of 2pi/a) from the website:</span></p>

<p class="MsoNormal"><span lang="EN-US"><a href="http://cms.mpi.univie.ac.at/vasp/guide/node56.html">http://cms.mpi.univie.ac.at/vasp/guide/node56.html</a></span></p>

<p class="MsoNormal"><span style="line-height: 1.7;">Thank you again.</span></p>

<p class="MsoNormal"><span lang="EN-US">Evan</span></p><br><br><br><br><div style="position:relative;zoom:1"></div><div id="divNeteaseMailCard"></div><br>At 2016-08-02 18:34:15, "stefano de gironcoli" <degironc@sissa.it> wrote:<br> <blockquote id="isReplyContent" style="PADDING-LEFT: 1ex; MARGIN: 0px 0px 0px 0.8ex; BORDER-LEFT: #ccc 1px solid">
  
    
  
  
    <div class="moz-cite-prefix">This is hardly surprising since X and
      Gamma are equivalent in your cell<br>
      <br>
      stefano<br>
      <br>
      On 02/08/2016 12:28, evan wrote:<br>
    </div>
    <blockquote cite="mid:40c5faa7.b186.1564acc9911.Coremail.ewan26@126.com" type="cite">
      <div style="line-height:1.7;color:#000000;font-size:14px;font-family:Arial">
        <p class="MsoNormal"><span style="font-size:12.0pt;font-family:"Cambria","serif";mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin" lang="EN-US">Hello,
            everyone<o:p></o:p></span></p>
        <p class="MsoNormal"><span style="font-size:12.0pt;font-family:"Cambria","serif";mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin" lang="EN-US">I am
            studying the band structure of GaAs, but the results show
            that the band gap occurs
            at G and X points simultaneously, this is puzzled me. The
            input files and results
            are attached, you can show what is wrong in the input file.</span></p>
        <p class="MsoNormal"><span style="font-size:12.0pt;font-family:"Cambria","serif";mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin" lang="EN-US">Your suggestions
            are appreciated.<o:p></o:p></span></p>
        <p class="MsoNormal"><span style="font-size:12.0pt;font-family:"Cambria","serif";mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin" lang="EN-US">Yours sincerely
            <o:p></o:p></span></p>
        <p class="MsoNormal"><span style="font-size:12.0pt;font-family:"Cambria","serif";mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin" lang="EN-US">Evan<o:p></o:p></span></p>
        <p class="MsoNormal"><span style="font-size:12.0pt;font-family:"Cambria","serif";mso-ascii-theme-font:major-latin;mso-hansi-theme-font:major-latin" lang="EN-US">USC, China <o:p></o:p></span></p>
      </div>
      <br>
      <br>
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        <p> </p>
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    </blockquote>
    <p><br>
    </p>
  

</blockquote></div><br><br><span title="neteasefooter"><p> </p></span>