[Wien] [Wien2k] Step by Step tutorial for Supercell construction

[Stefaan Cottenier]

> There are not many mails (in the mailing list) on the construction of 
> supercell in Wien2k. Probably, it is so user-friendly I guess. However, 
> for a beginner like me, I would like to get a step by step introduction 
> to construction of supercell and its implementation in Wien2k. I could 
> not fine much help from the mailing list.

Have a look at 
http://www.mri.psu.edu/conferences/WIEN/ProgramFiles/WIEN2k-getting_started-07.pdf 
(pages 29 and 30). And play yourself with a simple cubic lattice (P with 
1 atom at 0,0,0) before going to more complicated cells.

The initialization is done in exactly the same way as for the regular 
cell (only less k-points).

Stefaan