<html>
  <head>
    <meta http-equiv="Content-Type" content="text/html; charset=UTF-8">
  </head>
  <body bgcolor="#FFFFFF" text="#000000">
    <p>Hello 张海兵,</p>
    <p>can you give some detail? You don't specify what the problem is,
      did the SCC not converge or the geometry optimization not
      complete, or ...?</p>
    <p>Regards</p>
    <p>Ben<br>
    </p>
    <div class="moz-cite-prefix">On 22/06/2019 15:05, 张海兵 wrote:<br>
    </div>
    <blockquote type="cite"
      cite="mid:78e9efeb.1adbe.16b7f815059.Coremail.21737074@zju.edu.cn">
      <meta http-equiv="Content-Type" content="text/html; charset=UTF-8">
      <p> Hello DFTB:
      </p>
      <p>  I met a problem of optimization, The MaxSCCIterations have 
      </p>
      <p> been set as 5000. I hope some useful advices.
      </p>
      <p> Thanks!
      </p>
      <br>
      <fieldset class="mimeAttachmentHeader"></fieldset>
      <pre class="moz-quote-pre" wrap="">_______________________________________________
DFTB-Plus-User mailing list
<a class="moz-txt-link-abbreviated" href="mailto:DFTB-Plus-User@mailman.zfn.uni-bremen.de">DFTB-Plus-User@mailman.zfn.uni-bremen.de</a>
<a class="moz-txt-link-freetext" href="https://mailman.zfn.uni-bremen.de/cgi-bin/mailman/listinfo/dftb-plus-user">https://mailman.zfn.uni-bremen.de/cgi-bin/mailman/listinfo/dftb-plus-user</a></pre>
    </blockquote>
    <pre class="moz-signature" cols="72">-- 
        Dr.  B.  Hourahine,  Senior  lecturer
            SUPA, Department  of  Physics,
             University  of  Strathclyde,
              John  Anderson  Building,
          107 Rottenrow, Glasgow G4 0NG, UK.                    
  +44 141 548 2325, <a class="moz-txt-link-abbreviated" href="mailto:benjamin.hourahine@strath.ac.uk">benjamin.hourahine@strath.ac.uk</a>

The  Department is  a partner  in SUPA,  the Scottish
            Universities Physics Alliance

The University  of Strathclyde  is a  charitable body,
       registered in Scotland, number SC015263</pre>
  </body>
</html>