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<p>Dear Maxim,</p>
<p>the option to enter the coordinates using the space group and
Wyckoff positions<br>
was introduced in version 5.1.1 - so, you either need to update QE
or use a different<br>
format for your coordinates input.</p>
<p>Regards</p>
<p>Thomas<br>
</p>
<br>
<div class="moz-cite-prefix">On 11/01/18 14:49, Максим Арсентьев
wrote:<br>
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<blockquote type="cite"
cite="mid:CAJ_PVdJKygjHgHUo4f=WBKeyJom58mYD+JexK+_4yCnOevXjsg@mail.gmail.com">
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<div dir="ltr">
<div dir="ltr">Dear Thomas,
<div><br>
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<div>Thank you for the response, my version is PWSCF v.5.0.2
(svn rev. 9656).</div>
<div>I changed Wyckoff position into "4a" and celldm as you
said, but still the same problem(</div>
<div><br>
</div>
<div>
<div bgcolor="#FFFFFF"><span class="gmail-HOEnZb gmail-adL"><font
color="#888888"><span style="color:rgb(34,34,34)">-- </span><br
style="color:rgb(34,34,34)">
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style="color:rgb(34,34,34)">
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<div>Best wishes,</div>
<div>Maxim Arsent'ev, Ph.D. (Chemistry)</div>
<div>Laboratory of research of nanostructures</div>
<div>Institute of Silicate Chemistry of RAS</div>
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<br>
<pre class="moz-signature" cols="72">--
Dr. rer. nat. Thomas Brumme
Wilhelm-Ostwald-Institute for Physical and Theoretical Chemistry
Leipzig University
Phillipp-Rosenthal-Strasse 31
04103 Leipzig
Tel: +49 (0)341 97 36456
email: <a class="moz-txt-link-abbreviated" href="mailto:thomas.brumme@uni-leipzig.de">thomas.brumme@uni-leipzig.de</a>
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