[Pw_forum] plot the wave function for different spin

Paolo Giannozzi giannozz at democritos.it
Mon Apr 11 14:23:07 CEST 2011


On Mon, 2011-04-11 at 13:53 +0200, Carmine Autieri wrote:

> LSDA:  k-point and spin polarization to be plotted
> (spin-up and spin-down correspond to different k-points!)
> 
> but which are these different k-points?

the first half are spin up, the second half spin down.
e.g. for Gamma:  kpoint=1 => spin up, kpoint=2 => spin down

P.
-- 
 Paolo Giannozzi, Dept. Chemistry&Physics&Environment, 
 Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
 Phone +39-0432-558216, fax +39-0432-558222 



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