<div dir="ltr"><div class="gmail_default" style="font-family:"times new roman",serif;font-size:large"></div><div dir="ltr"><div class="gmail_default" style="font-family:times new roman,serif;font-size:large">Thank you for your response. </div><div class="gmail_default" style="font-family:times new roman,serif;font-size:large">I am looking for interaction between CNT and CFO.</div><div class="gmail_default" style="font-family:times new roman,serif;font-size:large">I am considering following CNT, Please have a look, Both have different crystal phases.</div><div class="gmail_default" style="font-family:times new roman,serif;font-size:large"><br></div><div class="gmail_default" style="font-family:times new roman,serif;font-size:large">Thank you in advance.</div><div class="gmail_default" style="font-family:times new roman,serif;font-size:large"><br></div><br></div><br><img width="0" height="0" alt="" style="display:flex" src="data:image/gif;base64,R0lGODlhAQABAIAAAAAAAP///yH5BAEAAAAALAAAAAABAAEAAAIBRAA7"><img width="0" height="0" class="mailtrack-img" alt="" style="display:flex" src="https://mailtrack.io/trace/mail/1c3e0ef0163e977845858c323fad2bd148a33bb4.png?u=982375"><div class="gmail_quote"><div dir="ltr" class="gmail_attr">On Tue, Jun 8, 2021 at 2:24 PM mkondrin <<a href="mailto:mkondrin@hppi.troitsk.ru" target="_blank">mkondrin@hppi.troitsk.ru</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">On 08.06.2021 12:20, Shivam Kansara wrote:<br>
> Dear all,<br>
> Herewith I am attaching the input & output files of CoFe2O4 and I spent a<br>
> lot of time optimizing it. But the system is not going to converge.<br>
> Please help me for the same.<br>
><br>
><br>
><br>
> _______________________________________________<br>
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Dear Shivam!<br>
<br>
Your structure looks very weird, so it is not surprising that it does <br>
not converge (jmol image is attached). Try to select more realistic <br>
initial structure.<br>
<br>
Sincerely yours,<br>
M. V. Kondrin<br>
<br>
_______________________________________________<br>
Quantum ESPRESSO is supported by MaX (<a href="http://www.max-centre.eu" rel="noreferrer" target="_blank">www.max-centre.eu</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><br clear="all"><div><br></div>-- <br><div dir="ltr"><div dir="ltr"><div><div dir="ltr"><div><div dir="ltr"><div><div dir="ltr"><div><div dir="ltr"><div><div dir="ltr"><div><div dir="ltr"><div><div dir="ltr"><div><div dir="ltr"><img src="https://docs.google.com/uc?export=download&id=15gbx7mtwk0dwsTQj6NfZXVlD_Y1NolOM&revid=0B8aFn9FcnevGK1d2WVlrVmdRaTNtczcvZGNabTB5L2NWbXdvPQ" width="72" height="96"><br></div></div><div dir="ltr"><div><div><div><font color="#666666"><font size="1"><b>-- With Regards</b></font><br></font></div><font color="#666666" size="4" face="georgia, serif">Dr. Shivam Kansara</font></div></div><div><font face="georgia, serif" color="#666666">Web:</font><font color="#ff9900" face="georgia, serif"> <a href="https://scholar.google.co.in/citations?user=gucGzjsAAAAJ&hl=en" target="_blank">https://scholar.google.co.in/citations?user=gucGzjsAAAAJ&hl=en</a></font></div><div><font face="georgia, serif"><font color="#ff9900"> </font><a href="https://www.researchgate.net/profile/Shivam_Kansara" target="_blank">https://www.researchgate.net/profile/Shivam_Kansara</a><font color="#ff9900"><br></font></font></div><div><font color="#ff9900" face="georgia, serif"><div style="font-size:13px;vertical-align:middle;display:inline-block;letter-spacing:0.2px"> </div></font><a href="https://sites.google.com/view/shivamkansara" target="_blank">https://sites.google.com/view/shivamkansara</a></div></div></div></div></div></div></div></div></div></div></div></div></div></div></div></div></div></div><br><div id="mt-signature">
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