<div dir="auto">This is not the type of question that you should ask, in my opinion. You need to develop your own logic, not expect others to tell you everything. Think<div dir="auto">1) what type of structure would give that curve?</div><div dir="auto">2) what calculations would confirm that curve is correct or wrong?</div><div dir="auto"><br></div><div dir="auto">If you cannot think, you need to reconsider your career choice.</div><div dir="auto"><br><div data-smartmail="gmail_signature" dir="auto">_____<br>Professor Laurence Marks<br>"Research is to see what everybody else has seen, and to think what nobody else has thought", Albert Szent-Gyorgi<br><a href="http://www.numis.northwestern.edu">www.numis.northwestern.edu</a></div></div></div><br><div class="gmail_quote"><div dir="ltr" class="gmail_attr">On Wed, Sep 30, 2020, 03:22 shamik chakrabarti <<a href="mailto:shamik15041981@gmail.com">shamik15041981@gmail.com</a>> wrote:<br></div><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><div dir="ltr">Dear Wien2k users,<div><br></div><div>                        We are ruining a simulation of a compound having an orthorhombic structure for Na ion battery application. After c/a optimization we get a curve as attached in this mail. Our query is whether this type of curve is alright & we have to take the minima for further calculation, or the curve has appeared due to having some unfeasible structure/ wrong calculation.</div><div><br></div><div>  Any response in this regard is highly appreciated. Thanks in advance.</div><div><br></div><div>with regards,<br clear="all"><div><br></div>-- <br><div dir="ltr" data-smartmail="gmail_signature"><div dir="ltr"><div><div dir="ltr"><div dir="ltr"><div dir="ltr"><div dir="ltr"><div style="font-size:small">Dr. Shamik Chakrabarti</div><div style="font-size:small">Research Fellow </div><div style="font-size:small">Department of Physics</div><div style="font-size:small">Indian Institute of Technology Patna</div><div style="font-size:small">Bihta-801103</div><div style="font-size:small">Patna</div><div style="font-size:small">Bihar, India</div></div></div></div></div></div></div></div></div></div>
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