[Wannier] spread

[Jonathan Yates]

Vivek,

  Could you post your input and output files (pwscf and w90) somewhere we 
can read (eg on a webserver).
  At the moment I don't have enough information about what you are trying 
to do to give anything more than vague suggestions.

> (iv) The diagram depicts three wannier functions. I want only one....
> How do I get rid of these images of the central one ?

>> calculation. Then I do an nscf calculation with 4 kpoints (4,1,1).

  If you create WF from a 4x1x1 sampling of the BZ then the WF will live in 
a periodic cell 4x1x1 of the real-space unit cell. If you then plot the WF 
in a supercell (wannier_plot_supercell, which defaults to 2) you will see 
both the "home" WF and some of its periodic image.


  Jonathan

-- 
Dr Jonathan Yates         |    Theory of Condensed Matter Group
Corpus Christi College    |    Cavendish Laboratory
Cambridge, CB2 1RH, UK    |    Cambridge, CB3 OHE, UK
email jry20 at cam.ac.uk     |    Tel +44 (0)1223 337461