[Wannier] spread

[Jonathan Yates]

On Fri, 30 May 2008, Nicola Marzari wrote:

> Not sure on the multiplication of points in the nscf - that usually
> shouldn't happen, exactly because nscf should just do the points it's
> told.

  If you put nosym=.true. in the system namelist then you really will get 
the same kpoints that you specified (sometimes pwscf will generate extra 
symmetry related kpoints from your list during an nscf - I forget the 
exact conditions)

  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