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<p style="margin-top:0;margin-bottom:0"><span>CYZ lattices</span> may not be implemented, but I think that CXY are, so what you can do is shift
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<p style="margin-top:0;margin-bottom:0">Y => X</p>
<p style="margin-top:0;margin-bottom:0">Z => Y</p>
<p style="margin-top:0;margin-bottom:0">in the struct file<br>
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<p style="margin-top:0;margin-bottom:0">and you will be able to use "supercell"<br>
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<div id="divRplyFwdMsg" dir="ltr"><font style="font-size:11pt" color="#000000" face="Calibri, sans-serif"><b>De:</b> Wien <wien-bounces@zeus.theochem.tuwien.ac.at> en nombre de prasad jayasena <prasad.j86@yahoo.com><br>
<b>Enviado:</b> jueves, 2 de agosto de 2018 11:51 a. m.<br>
<b>Para:</b> A Mailing list for WIEN2k users<br>
<b>Asunto:</b> Re: [Wien] creating a slab</font>
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<div>Dear Prof.. Gavin Abo</div>
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<div>Thank you for your valuable advice.</div>
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<div>I will try this.</div>
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<div>Prasad<br>
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<div>On Wednesday, August 1, 2018, 10:41:44 p.m. CST, Gavin Abo <gsabo@crimson.ua.edu> wrote:
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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".
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<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>
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<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 rel="nofollow" shape="rect" class="x_yiv7157800718moz-txt-link-freetext OWAAutoLink" target="_blank" href="http://susi.theochem.tuwien.ac.at/reg_user/textbooks/usersguide.pdf" id="LPlnk34545" previewremoved="true">
http://susi.theochem.tuwien.ac.at/reg_user/textbooks/usersguide.pdf</a> ]):<br clear="none">
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<div class="x_yiv7157800718moz-cite-prefix">On 8/1/2018 12:02 PM, prasad jayasena wrote:<br clear="none">
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Dear Wien2k developers and users</div>
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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.
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https://www.bc.edu/content/dam/bc1/schools/mcas/physics/pdf/wien2k/Exercises.pdf</a></div>
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But when I try to run "x supercell" with the struct file of CYZ type structure, the program terminated with the error below.</div>
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<span> Fatal Error occured:<br clear="none">
Unknown lattice type: CYZ<br clear="none">
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Program terminated.<br clear="none">
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<div>Does this mean this program does not support CYZ type structures? Then how to proceed with my structure?
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<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 clear="none">
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<div>Thank you</div>
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<div>Prasad<br clear="none">
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