[Pw_forum] spinpolarized wannier90 calculations

Jan Felix Binder janfelix.binder at epfl.ch
Tue Jan 19 10:35:11 CET 2010


Hello,
is it still possible to calculate Wannier functions for spin polarized 
systems?
I ask, because the examples for the this cases are removed from the QE 
4.1.2 package.

I also tried to calculate for this case and get an unspecified error 
message during the pw2wannier.x run.
  Spin CASE ( up )

  Wannier mode is: standalone

  -----------------
  *** Reading nnkp
  -----------------

  Checking info from wannier.nnkp file

  - Real lattice is ok
  - Reciprocal lattice is ok
  Something wrong!
  numk=           1  iknum=           0

Thanks a lot

Felix Binder
EPFL (Lausanne)



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