[Pw_forum] ZnO nanosheet

[fatih.ersan at adu.edu.tr]

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" <saleemayaz_hu at yahoo.com> 
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 


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