<div dir="ltr">Dear Prof. Gavin,<div><br></div><div> Thank you so much for your reply. It is very helpful.</div><div><br></div><div>Thanks once again.</div><div><br></div><div>with regards,</div></div><br><div class="gmail_quote"><div dir="ltr" class="gmail_attr">On Tue, 25 Aug 2020 at 17:00, Gavin Abo <<a href="mailto:gsabo@crimson.ua.edu">gsabo@crimson.ua.edu</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>I recommend the following readings:</p>
<a href="https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg12150.html" target="_blank">https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg12150.html</a><br>
<a href="https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg01512.html" target="_blank">https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg01512.html</a><br>
<div><br>
</div>
<div>On 8/25/2020 1:05 AM, shamik
chakrabarti wrote:<br>
</div>
<blockquote type="cite">
<div dir="ltr">Dear Prof. Gavin,
<div><br>
</div>
<div> Thanks a lot for your help. It
is working now. However, I have another query. After x
optimize with the struct file a message comes as: SPACE GROUP
CONTAINS INVERSION</div>
<div><b> alpha(3) .gt. 91.0; reset to 90.1. </b>However, the
struct file remains the same after this message. Hence, should
we ignore the message?</div>
<div><br>
</div>
<div>with regards,</div>
</div>
</blockquote>
<blockquote type="cite"></blockquote>
</div>
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</blockquote></div><br clear="all"><div><br></div>-- <br><div dir="ltr" class="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>