<html><head></head><body><div style="font-family:Helvetica Neue, Helvetica, Arial, sans-serif;font-size:16px;"><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">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></body></html>