[Wien] How to construct a simple superell (2D-slab,7 layer)?

hossien rahnama h_rahnamay at yahoo.com
Mon Feb 26 17:27:00 CET 2007


  Dear Wien2k users,

Thank you very much for your attentions and appreciate. I have constructed 

a supercell (2D_slab, 7 layer) for In2O3 in (001) direction by x supercell command  

in wien2k program. In2O3 have a bcc structure and 80 atoms in unit cell,

 therefore contracted supercell have 560 atoms and number of atoms is very large

 and my computer can not able to calculate. Could anyone tell me how to construct 

a simple supercell (low number of atoms) for In2O3(001) 

 using wien2k ? and how much vacuum is required? 

Best wishes,

H.A.Rahnama 

 
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