[Wien] creating a supercell

[shaymlal dayananda]

Dear developers and users

I need to generate a supercell for a CYZ structure for workfunction calculation with WIEN2k 18.2.However "supercell" program in Wien2k does not support this group. Hence I found two other methods to create the supercell.
one method is VESTA. My structure has a=4.12 ,b= 11.9, c=6.32 (Angstrom) with orthorhombic structure.Thus I thought to create a supercell of the size 1x3x1 and then to add 30 bohr vacuum to the y-axis direction. 

In the second method, by using METADISE code, I can create a surface along 010 and then the supercell based on that and add the vacuum.
I felt that VESTA method is easy to do. But I am bit hesitated if I am has a wrong structure with VESTA (missing symmetry or anything).
Can someone please let me know, if you know, which is the correct way? or what is wrong with VESTA method? 

I am waiting for your answer to continue my calculation
Thank you for your valuable comments
Daya


-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20181019/7a244b8f/attachment.html>