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<p>I recommend the following readings:</p>
<a class="moz-txt-link-freetext" href="https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg12150.html">https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg12150.html</a><br>
<a class="moz-txt-link-freetext" href="https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg01512.html">https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg01512.html</a><br>
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<div class="moz-cite-prefix">On 8/25/2020 1:05 AM, shamik
chakrabarti wrote:<br>
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cite="mid:CAA+63+rNi=qMbWA-eJQwWOnFhLjyZt34z0mQJ=mLAiJ-qjnM_A@mail.gmail.com">
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<div dir="ltr">Dear Prof. Gavin,
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<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>
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<div>with regards,</div>
</div>
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cite="mid:CAA+63+rNi=qMbWA-eJQwWOnFhLjyZt34z0mQJ=mLAiJ-qjnM_A@mail.gmail.com"></blockquote>
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