[Pw_forum] LSDA bands not implemented

Cyrille Barreteau cbarreteau at cea.fr
Wed Mar 30 09:27:38 CEST 2005


 Dear all,

I was trying to calculate the band structure of a spin polarized
system. The self consistent (pw.x scf with special
k points)  and non self-consistent (pw.x nscf with k point line)
run perfectly. However when I want to extract the band structure
with bands.x I get the following error message:

%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     from bands : error #        -2
     LSDA bands not implemented
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

The code gives me an output which is made of the spin-up
eigenvalues only...

What is the problem here?

  thanks
      Cyrille

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