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    <p>DearTakahisa,<br>
    </p>
    <p>This file cannot generate the output you claim, there is a syntax
      error that would kick in much sooner.<br>
      <span style="font-family:monospace"><span
          style="color:#000000;background-color:#ffffff;"> </span></span></p>
    <p><span style="font-family:monospace"><span
          style="color:#000000;background-color:#ffffff;"> 
          lpaw=.fales.,</span></span><br>
    </p>
    <div class="moz-cite-prefix">Anyway, the best way to understand a
      pseudopotential is to plot the wavefunctions (all-electron,
      norm-conserving, ultrasoft) and see where you are cutting. If it
      is too close to a node, disaster will often ensue.<br>
    </div>
    <div class="moz-cite-prefix"><br>
    </div>
    <div class="moz-cite-prefix">kind regards<br>
    </div>
    <div class="moz-cite-prefix"><br>
    </div>
    <div class="moz-cite-prefix">On 31/10/2023 07:47,
      Ishiyama,Takahisa_石山 貴久 wrote:<br>
    </div>
    <blockquote type="cite"
cite="mid:TYCPR01MB8357AE1B3C40315D6043C7EDADA0A@TYCPR01MB8357.jpnprd01.prod.outlook.com">
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        <p class="MsoNormal"><span style="font-size:11.0pt" lang="EN-US">Dear
            all,<o:p></o:p></span></p>
        <p class="MsoNormal"><span style="font-size:11.0pt" lang="EN-US"><o:p> </o:p></span></p>
        <p class="MsoNormal"><span style="font-size:11.0pt" lang="EN-US">I’m
            trying to produce the pseudopotential with two core hole
            using ld1.x.<o:p></o:p></span></p>
        <p class="MsoNormal"><span style="font-size:11.0pt" lang="EN-US">But
            error occurs and stops.<o:p></o:p></span></p>
        <p class="MsoNormal"><span style="font-size:11.0pt" lang="EN-US">Input
            and output are attached.<o:p></o:p></span></p>
        <p class="MsoNormal"><span style="font-size:11.0pt" lang="EN-US"><o:p> </o:p></span></p>
        <p class="MsoNormal" style="text-align:left;text-autospace:none"
          align="left"><span
style="font-size:11.0pt;font-family:"MS UI Gothic""
            lang="EN-US">%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<o:p></o:p></span></p>
        <p class="MsoNormal" style="text-align:left;text-autospace:none"
          align="left"><span
style="font-size:11.0pt;font-family:"MS UI Gothic""
            lang="EN-US">     task #         0<o:p></o:p></span></p>
        <p class="MsoNormal" style="text-align:left;text-autospace:none"
          align="left"><span
style="font-size:11.0pt;font-family:"MS UI Gothic""
            lang="EN-US">     from compute_phius : error #         1<o:p></o:p></span></p>
        <p class="MsoNormal" style="text-align:left;text-autospace:none"
          align="left"><span
style="font-size:11.0pt;font-family:"MS UI Gothic""
            lang="EN-US">     problems with find_qi<o:p></o:p></span></p>
        <p class="MsoNormal" style="text-align:left;text-autospace:none"
          align="left"><span
style="font-size:11.0pt;font-family:"MS UI Gothic""
            lang="EN-US">%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<o:p></o:p></span></p>
        <p class="MsoNormal" style="text-align:left;text-autospace:none"
          align="left"><span
style="font-size:11.0pt;font-family:"MS UI Gothic""
            lang="EN-US"><o:p> </o:p></span></p>
        <p class="MsoNormal"><span style="font-size:11.0pt" lang="EN-US">What
            is wrong in making the pseudopotential ?<o:p></o:p></span></p>
        <p class="MsoNormal"><span style="font-size:11.0pt" lang="EN-US"><o:p> </o:p></span></p>
        <p class="MsoNormal"><span style="font-size:11.0pt" lang="EN-US">Thank
            you,<o:p></o:p></span></p>
        <p class="MsoNormal"><span style="font-size:11.0pt" lang="EN-US">Takahisa
            Ishiyama<o:p></o:p></span></p>
      </div>
      <br>
      <fieldset class="moz-mime-attachment-header"></fieldset>
      <pre class="moz-quote-pre" wrap="">_______________________________________________
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    </blockquote>
    <div class="moz-signature">-- <br>
      <small>Dr. Lorenzo Paulatto<br>
        IdR @ IMPMC - CNRS UMR 7590 & Sorbonne Université<br>
        phone: +33 (0)1 442 79822 / skype: paulatz<br>
        <a href="http://www.impmc.upmc.fr/~paulatto/"
          class="moz-txt-link-freetext">http://www.impmc.upmc.fr/~paulatto/</a>
        - <a href="https://anharmonic.github.io/"
          class="moz-txt-link-freetext">https://anharmonic.github.io/</a><br>
        23-24/423 B115, 4 place Jussieu 75252 Paris CX 05<small></small></small></div>
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