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<p>Dear Maxim,</p>
<p>space group 33 does not have a Wyckoff position 4d but only 4a.<br>
Furthermore, we would need to know the version of QE you're<br>
using. Additionally, if you set</p>
<p> A=24.98444525,<br>
B=0.588411037,<br>
C=1.372938916,<br>
</p>
<p>it looks like you actually want to use celldm(1) ... celldm(3) or
is<br>
your lattice really just 0.588 Angstrom in the y direction ;)</p>
<p>Cheerio</p>
<p>Thomas<br>
</p>
<br>
<div class="moz-cite-prefix">On 11/01/18 13:11, Maxim Arsentev
wrote:<br>
</div>
<blockquote type="cite"
cite="mid:1f1b25f9-e7a2-55e9-4ab4-416882e91c88@isc.nw.ru">
<meta http-equiv="content-type" content="text/html; charset=utf-8">
<p>Dear QE users,</p>
<p>When I run my input with "space_group" variable activated, I
got whis error:</p>
<p><span style="color: rgb(34, 34, 34); font-family: Arial,
Helvetica, sans-serif; font-size: small; font-style: normal;
font-variant-ligatures: normal; font-variant-caps: normal;
font-weight: 400; letter-spacing: normal; orphans: 2;
text-align: start; text-indent: 0px; text-transform: none;
white-space: normal; widows: 2; word-spacing: 0px;
-webkit-text-stroke-width: 0px; background-color: rgb(255,
255, 255); text-decoration-style: initial;
text-decoration-color: initial; display: inline !important;
float: none;"> Error in routine read_namelists (5010):</span><br
style="color: rgb(34, 34, 34); font-family: Arial, Helvetica,
sans-serif; font-size: small; font-style: normal;
font-variant-ligatures: normal; font-variant-caps: normal;
font-weight: 400; letter-spacing: normal; orphans: 2;
text-align: start; text-indent: 0px; text-transform: none;
white-space: normal; widows: 2; word-spacing: 0px;
-webkit-text-stroke-width: 0px; background-color: rgb(255,
255, 255); text-decoration-style: initial;
text-decoration-color: initial;">
<span style="color: rgb(34, 34, 34); font-family: Arial,
Helvetica, sans-serif; font-size: small; font-style: normal;
font-variant-ligatures: normal; font-variant-caps: normal;
font-weight: 400; letter-spacing: normal; orphans: 2;
text-align: start; text-indent: 0px; text-transform: none;
white-space: normal; widows: 2; word-spacing: 0px;
-webkit-text-stroke-width: 0px; background-color: rgb(255,
255, 255); text-decoration-style: initial;
text-decoration-color: initial; display: inline !important;
float: none;"> reading namelist system</span><br
style="color: rgb(34, 34, 34); font-family: Arial, Helvetica,
sans-serif; font-size: small; font-style: normal;
font-variant-ligatures: normal; font-variant-caps: normal;
font-weight: 400; letter-spacing: normal; orphans: 2;
text-align: start; text-indent: 0px; text-transform: none;
white-space: normal; widows: 2; word-spacing: 0px;
-webkit-text-stroke-width: 0px; background-color: rgb(255,
255, 255); text-decoration-style: initial;
text-decoration-color: initial;">
</p>
<span style="color: rgb(34, 34, 34); font-family: Arial,
Helvetica, sans-serif; font-size: small; font-style: normal;
font-variant-ligatures: normal; font-variant-caps: normal;
font-weight: 400; letter-spacing: normal; orphans: 2;
text-align: start; text-indent: 0px; text-transform: none;
white-space: normal; widows: 2; word-spacing: 0px;
-webkit-text-stroke-width: 0px; background-color: rgb(255, 255,
255); text-decoration-style: initial; text-decoration-color:
initial; display: inline !important; float: none;">--<span> </span></span><br
style="color: rgb(34, 34, 34); font-family: Arial, Helvetica,
sans-serif; font-size: small; font-style: normal;
font-variant-ligatures: normal; font-variant-caps: normal;
font-weight: 400; letter-spacing: normal; orphans: 2;
text-align: start; text-indent: 0px; text-transform: none;
white-space: normal; widows: 2; word-spacing: 0px;
-webkit-text-stroke-width: 0px; text-decoration-style: initial;
text-decoration-color: initial;">
<div dir="ltr" class="gmail_signature"
data-smartmail="gmail_signature" style="color: rgb(34, 34, 34);
font-family: Arial, Helvetica, sans-serif; font-size: small;
font-style: normal; font-variant-ligatures: normal;
font-variant-caps: normal; font-weight: 400; letter-spacing:
normal; orphans: 2; text-align: start; text-indent: 0px;
text-transform: none; white-space: normal; widows: 2;
word-spacing: 0px; -webkit-text-stroke-width: 0px;
text-decoration-style: initial; text-decoration-color: initial;">
<div dir="ltr">
<div>
<div dir="ltr">
<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>
</div>
</div>
</div>
</div>
<br>
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</blockquote>
<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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