<div dir="ltr">Dear Dr. Saif,<div><br></div><div>I have through this link before posting the error. However, I could not find a solution to my problem there.</div><div><br></div></div><div class="gmail_extra"><br><div class="gmail_quote">On Tue, Dec 19, 2017 at 6:07 PM, Saif Ullah <span dir="ltr"><<a href="mailto:kiterunner7@gmail.com" target="_blank">kiterunner7@gmail.com</a>></span> wrote:<br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><div dir="ltr">It is a well-known error.<div><br></div><div>The following links may be helpful.</div><div><a href="http://qe-forge.org/pipermail/pw_forum/2014-September/105225.html" target="_blank">http://qe-forge.org/pipermail/<wbr>pw_forum/2014-September/<wbr>105225.html</a><br></div><div><a href="https://www.mail-archive.com/pw_forum@pwscf.org/msg29759.html" target="_blank">https://www.mail-archive.com/<wbr>pw_forum@pwscf.org/msg29759.<wbr>html</a><br></div><div><br></div><div>Regards</div><div>Saif</div><div><br></div></div><div class="gmail_extra"><br><div class="gmail_quote"><div><div class="h5">On Tue, Dec 19, 2017 at 7:38 AM, B S Bhushan <span dir="ltr"><<a href="mailto:ecebhushan@gmail.com" target="_blank">ecebhushan@gmail.com</a>></span> wrote:<br></div></div><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><div><div class="h5"><div dir="ltr"><div class="gmail_quote"><div dir="ltr">Dear experts...<br><div class="gmail_quote"><div dir="ltr"><div><div><div><div><div><div><div><br></div>I have received this following error when I was trying to optimize a doped graphene sheet.<br><br>%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<wbr>%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<wbr>%%%%%%%%%%%%%%%%%%<br>     Error in routine bfgs (1):<br>     dE0s is positive which should never happen<br> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%<wbr>%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<wbr>%%%%%%%%%%%%%%%%%%%<br><br></div>Please suggest me.... how to avoid this error.<br><br></div>Thank you very much for your precious time and knowledge.<br><br></div>Sincerely,<br></div>B S Bhushan,<br></div>Ph.D Scholar,<br></div>ABV-IIITM Gwalior, India.<br></div>
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