Dear Ayaz, You can examine this paper "A First-Principles Study of Zinc Oxide Honeycomb Structures" , and I think your atomic positions will be Zn 0.333333 0.666666 0.0000 and O 0.666666 0.33333333 0.00000
----- Original Message ----- From: "Saleem Ayaz" <[email protected]> To: "pw forum" <pw_forum at pwscf.org> Sent: Friday, April 11, 2014 9:35:56 AM Subject: [Pw_forum] ZnO nanosheet Dear Users Kindly help me how to make ZnO nano sheet. I used the lattice parameters a=3.2482A, C=10.0A, space group P63mc (186) and atomic positions Zn 0 0 0, and O 1/4 1/4 1/4 which are not looks ok. Please help me. Waiting for kind reply _______________________________________________ Pw_forum mailing list Pw_forum at pwscf.org http://pwscf.org/mailman/listinfo/pw_forum -------------- next part -------------- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20140411/82241ce2/attachment.html
