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<p>Yes, or at least as far as I currently can tell, I believe
support for CYZ lattices has not been implemented for "x
supercell". <br>
</p>
<p>I haven't tried it, but my guess is that happens for example with
any space group 38_Amm2 structures (generated by sgroup):</p>
<a class="moz-txt-link-freetext" href="https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg17648.html">https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg17648.html</a><br>
<a class="moz-txt-link-freetext" href="https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg15437.html">https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg15437.html</a><br>
<p>As I have seen but not tried, a solution to the problem may have
been to convert the CYZ lattice to a primitive (P lattice) using
makeprimitive before using "x supercell" or using instead
makesupercell of the octave structeditor (section 9.29 on page 218
of the WIEN2k 18.2 usersguide [
<a class="moz-txt-link-freetext" href="http://susi.theochem.tuwien.ac.at/reg_user/textbooks/usersguide.pdf">http://susi.theochem.tuwien.ac.at/reg_user/textbooks/usersguide.pdf</a>
]):<br>
</p>
<a class="moz-txt-link-freetext" href="https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg11050.html">https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg11050.html</a><br>
<a class="moz-txt-link-freetext" href="https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg11115.html">https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg11115.html</a><br>
<br>
<div class="moz-cite-prefix">On 8/1/2018 12:02 PM, prasad jayasena
wrote:<br>
</div>
<blockquote type="cite"
cite="mid:1589555022.555257.1533146536994@mail.yahoo.com">
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<div style="font-family:Helvetica Neue, Helvetica, Arial,
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<div style="font-family:Helvetica Neue, Helvetica, Arial,
sans-serif;font-size:16px;">Dear Wien2k developers and users</div>
<div style="font-family:Helvetica Neue, Helvetica, Arial,
sans-serif;font-size:16px;"><br>
</div>
<div style="font-family:Helvetica Neue, Helvetica, Arial,
sans-serif;font-size:16px;">I need to create a slab of a
lattice type CYZ (orthorombic) material of 11 atoms for work
function calculation. It has 3 layers in the unit cell. I
tried to follow the steps in the exercise sheet of last
workshop. <a
href="https://www.bc.edu/content/dam/bc1/schools/mcas/physics/pdf/wien2k/Exercises.pdf"
rel="nofollow" target="_blank" moz-do-not-send="true">https://www.bc.edu/content/dam/bc1/schools/mcas/physics/pdf/wien2k/Exercises.pdf</a></div>
<div style="font-family:Helvetica Neue, Helvetica, Arial,
sans-serif;font-size:16px;"><br>
</div>
<div style="font-family:Helvetica Neue, Helvetica, Arial,
sans-serif;font-size:16px;">But when I try to run "x
supercell" with the struct file of CYZ type structure, the
program terminated with the error below.</div>
<div style="font-family:Helvetica Neue, Helvetica, Arial,
sans-serif;font-size:16px;"><br>
</div>
<div style="font-family:Helvetica Neue, Helvetica, Arial,
sans-serif;font-size:16px;"><span> Fatal Error occured:<br>
Unknown lattice type: CYZ<br>
<br>
Program terminated.<br>
<br>
</span>
<div><br>
</div>
<div>Does this mean this program does not support CYZ type
structures? Then how to proceed with my structure? <br>
</div>
<div>I could complete the example for MgO in the above pdf.
Can someone please advice me how to do this? I am using
wien2k 17.1.<br>
</div>
<div><br>
</div>
<div>Thank you</div>
<div><br>
</div>
<div>Prasad<br>
</div>
</div>
</div>
</blockquote>
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