[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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Cyrille Barreteau | phone:+33 (0)1 69 08 29 51
CEA Saclay | fax : +33 (0)1 69 08 84 46
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Batiment 462 |
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