[Pw_forum] plot the wave function for different spin
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
Paolo Giannozzi, Dept. Chemistry&Physics&Environment,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222
More information about the users