<div dir="ltr"><div class="gmail_default" style="font-family:verdana,sans-serif">Hi Lorenzo,</div><div class="gmail_default" style="font-family:verdana,sans-serif"><br></div><div class="gmail_default" style="font-family:verdana,sans-serif"> Yes, you are correct. I have to switch-off that tag for the scf calculation.</div><div class="gmail_default" style="font-family:verdana,sans-serif"><br></div><div class="gmail_default" style="font-family:verdana,sans-serif">Thanks a million. </div><div><div dir="ltr" class="gmail_signature" data-smartmail="gmail_signature"><div dir="ltr"><div><div dir="ltr"><div><div dir="ltr"><div><div dir="ltr"><div><div dir="ltr"><div dir="ltr"><div dir="ltr"><div style="font-size:16px;background-color:transparent;font-family:Calibri,Arial,Helvetica,sans-serif,EmojiFont,"Apple Color Emoji","Segoe UI Emoji",NotoColorEmoji,"Segoe UI Symbol","Android Emoji",EmojiSymbols;margin-top:0px;margin-bottom:0px"><span style="background-color:transparent;color:rgb(0,0,0);font-family:"times new roman",serif"><br></span></div><div style="background-color:transparent;margin-top:0px;margin-bottom:0px"><font face="verdana, sans-serif"><span style="background-color:transparent;color:rgb(0,0,0)">Kind Regards,</span><br></font></div><div style="background-color:transparent;margin-top:0px;margin-bottom:0px"><p class="MsoNormal" align="left" style="color:rgb(0,0,0)"><font face="verdana, sans-serif">Vivek C</font></p><p class="MsoNormal" align="left" style="color:rgb(0,0,0)"><font face="verdana, sans-serif"><br></font></p><p class="MsoNormal" align="left" style="color:rgb(0,0,0)"><font face="verdana, sans-serif">__________________________________</font></p><p class="MsoNormal" align="left" style="color:rgb(0,0,0)"><font face="verdana, sans-serif">Vivek Christhunathan</font></p><p class="MsoNormal" align="left" style="color:rgb(0,0,0)"><span lang="EN-US"><font face="verdana, sans-serif">PhD researcher</font></span></p><p class="MsoNormal" align="left" style="color:rgb(0,0,0)"><span lang="EN-US"><font face="verdana, sans-serif">Mechanical Engineering</font></span></p><p class="MsoNormal" align="left" style="color:rgb(0,0,0)"><span lang="EN-US"><font face="verdana, sans-serif">College of Engineering and Informatics</font></span></p><p class="MsoNormal" align="left" style="color:rgb(0,0,0)"><span lang="EN-US"><font face="verdana, sans-serif">Room 2053</font></span></p><p class="MsoNormal" align="left" style="color:rgb(0,0,0)"><font face="verdana, sans-serif"><span lang="EN-US">Alice Perry Engineering Building</span><span lang="EN-US" style="color:rgb(51,102,255)"></span></font></p><p class="MsoNormal" align="left" style="color:rgb(0,0,0)"><font face="verdana, sans-serif"><span lang="EN-US">National University of Ireland Galway</span><span lang="EN-US" style="color:rgb(51,102,255)"></span></font></p><p class="MsoNormal" align="left" style="color:rgb(0,0,0)"><span lang="EN-US"><font face="verdana, sans-serif">Ireland</font></span></p></div><div dir="ltr" style="color:rgb(0,0,0)"><font face="verdana, sans-serif">E-mail: <a href="mailto:v.christhunathan1@nuigalway.ie" target="_blank">v.christhunathan1@nuigalway.ie</a></font></div><div dir="ltr" style="color:rgb(0,0,0)"><font face="verdana, sans-serif">Phone: +353 899811181, +91 9600752742</font></div><div dir="ltr" style="color:rgb(0,0,0);font-size:12pt;font-family:Calibri,Arial,Helvetica,sans-serif,EmojiFont,"Apple Color Emoji","Segoe UI Emoji",NotoColorEmoji,"Segoe UI Symbol","Android Emoji",EmojiSymbols"><img src="https://docs.google.com/uc?export=download&id=1oPtxd7PT5ljQRnuP-Gdf5upjiKPXk7Fz&revid=0B_S3ZLbRRu26NW1YallITFk1ZHMxaStQaUVoMjZ4M2NqcC9BPQ"><br></div></div></div></div></div></div></div></div></div></div></div></div></div></div><br></div><br><div class="gmail_quote"><div dir="ltr" class="gmail_attr">On Thu, Jul 16, 2020 at 6:18 PM Lorenzo Paulatto <<a href="mailto:paulatz@gmail.com">paulatz@gmail.com</a>> wrote:<br></div><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex">
  
    
  
  <div>
    <p>&control<br>
      calculation = 'scf'<br>
      restart_mode = 'from_scratch'<br>
      prefix = '221TiO2'<br>
      tstress = .true.<br>
      tprnfor = .true.<br>
      pseudo_dir = './'<br>
      outdir = './out221TiO2'<br>
      wf_collect=.true.<br>
      forc_conv_thr = 1d-4<br>
      <b>disk_io = 'none'</b><b><br>
      </b>/<br>
    </p>
    <div>If you ask the code to write nothing to
      disk, it will write nothing to disk, but you cannot do an nscf
      afterwards.</div>
    <div><br>
    </div>
    <div>kind regards<br>
    </div>
    <div><br>
    </div>
    <div><br>
    </div>
    <div>On 7/16/20 12:41 PM, Vivek
      Christhunathan wrote:<br>
    </div>
    <blockquote type="cite">
      
      <div dir="ltr">
        <div class="gmail_default" style="font-family:verdana,sans-serif">It happed because the
          attached files exceeded the file limit. Please find the
          attached zip file now. I hope I have given
          enough information now.</div>
        <div>
          <div dir="ltr">
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                                  <div><span><br>
                                    </span></div>
                                  <div style="background-color:transparent;margin-top:0px;margin-bottom:0px"><font face="verdana, sans-serif"><span style="background-color:transparent;color:rgb(0,0,0)">Kind
                                        Regards,</span><br>
                                    </font></div>
                                  <div style="background-color:transparent;margin-top:0px;margin-bottom:0px">
                                    <p class="MsoNormal" style="color:rgb(0,0,0)" align="left"><font face="verdana,
                                        sans-serif">Vivek C</font></p>
                                    <p class="MsoNormal" style="color:rgb(0,0,0)" align="left"><font face="verdana,
                                        sans-serif"><br>
                                      </font></p>
                                    <p class="MsoNormal" style="color:rgb(0,0,0)" align="left"><font face="verdana,
                                        sans-serif">__________________________________</font></p>
                                    <p class="MsoNormal" style="color:rgb(0,0,0)" align="left"><font face="verdana,
                                        sans-serif">Vivek Christhunathan</font></p>
                                    <p class="MsoNormal" style="color:rgb(0,0,0)" align="left"><span lang="EN-US"><font face="verdana, sans-serif">PhD
                                          researcher</font></span></p>
                                    <p class="MsoNormal" style="color:rgb(0,0,0)" align="left"><span lang="EN-US"><font face="verdana, sans-serif">Mechanical
                                          Engineering</font></span></p>
                                    <p class="MsoNormal" style="color:rgb(0,0,0)" align="left"><span lang="EN-US"><font face="verdana, sans-serif">College
                                          of Engineering and Informatics</font></span></p>
                                    <p class="MsoNormal" style="color:rgb(0,0,0)" align="left"><span lang="EN-US"><font face="verdana, sans-serif">Room
                                          2053</font></span></p>
                                    <p class="MsoNormal" style="color:rgb(0,0,0)" align="left"><font face="verdana,
                                        sans-serif"><span lang="EN-US">Alice
                                          Perry Engineering Building</span><span style="color:rgb(51,102,255)" lang="EN-US"></span></font></p>
                                    <p class="MsoNormal" style="color:rgb(0,0,0)" align="left"><font face="verdana,
                                        sans-serif"><span lang="EN-US">National
                                          University of Ireland Galway</span><span style="color:rgb(51,102,255)" lang="EN-US"></span></font></p>
                                    <p class="MsoNormal" style="color:rgb(0,0,0)" align="left"><span lang="EN-US"><font face="verdana, sans-serif">Ireland</font></span></p>
                                  </div>
                                  <div dir="ltr" style="color:rgb(0,0,0)"><font face="verdana, sans-serif">E-mail:
                                      <a href="mailto:v.christhunathan1@nuigalway.ie" target="_blank">v.christhunathan1@nuigalway.ie</a></font></div>
                                  <div dir="ltr" style="color:rgb(0,0,0)"><font face="verdana, sans-serif">Phone:
                                      +353 899811181, +91 9600752742</font></div>
                                  <div dir="ltr"><img src="https://docs.google.com/uc?export=download&id=1oPtxd7PT5ljQRnuP-Gdf5upjiKPXk7Fz&revid=0B_S3ZLbRRu26NW1YallITFk1ZHMxaStQaUVoMjZ4M2NqcC9BPQ"><br>
                                  </div>
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        <br>
      </div>
      <br>
      <div class="gmail_quote">
        <div dir="ltr" class="gmail_attr">On Thu, Jul 16, 2020 at 11:35
          AM Lorenzo Paulatto <<a href="mailto:paulatz@gmail.com" target="_blank">paulatz@gmail.com</a>> wrote:<br>
        </div>
        <blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex">>
          Did you receive my input and output files?<br>
          ><br>
          <br>
          Some, but still not enough to say anything.<br>
          <br>
          kind regards<br>
          <br>
          -- <br>
          Lorenzo Paulatto - Paris<br>
          _______________________________________________<br>
          Quantum ESPRESSO is supported by MaX (<a href="http://www.max-centre.eu/quantum-espresso" rel="noreferrer" target="_blank">www.max-centre.eu/quantum-espresso</a>)<br>
          users mailing list <a href="mailto:users@lists.quantum-espresso.org" target="_blank">users@lists.quantum-espresso.org</a><br>
          <a href="https://lists.quantum-espresso.org/mailman/listinfo/users" rel="noreferrer" target="_blank">https://lists.quantum-espresso.org/mailman/listinfo/users</a><br>
        </blockquote>
      </div>
      <br>
      <fieldset></fieldset>
      <pre>_______________________________________________
Quantum ESPRESSO is supported by MaX (<a href="http://www.max-centre.eu/quantum-espresso" target="_blank">www.max-centre.eu/quantum-espresso</a>)
users mailing list <a href="mailto:users@lists.quantum-espresso.org" target="_blank">users@lists.quantum-espresso.org</a>
<a href="https://lists.quantum-espresso.org/mailman/listinfo/users" target="_blank">https://lists.quantum-espresso.org/mailman/listinfo/users</a></pre>
    </blockquote>
    <pre cols="72">-- 
Lorenzo Paulatto - Paris</pre>
  </div>

_______________________________________________<br>
Quantum ESPRESSO is supported by MaX (<a href="http://www.max-centre.eu/quantum-espresso" rel="noreferrer" target="_blank">www.max-centre.eu/quantum-espresso</a>)<br>
users mailing list <a href="mailto:users@lists.quantum-espresso.org" target="_blank">users@lists.quantum-espresso.org</a><br>
<a href="https://lists.quantum-espresso.org/mailman/listinfo/users" rel="noreferrer" target="_blank">https://lists.quantum-espresso.org/mailman/listinfo/users</a></blockquote></div>