[Pw_forum] (still) inconsistent pp.x and projwfc.x ...

[Paolo Giannozzi]

On Jul 5, 2007, at 18:27 , Conor Hogan wrote:

> [...] that I'm completely off the mark, am running one of the pp codes
> wrong, or to put my mind at ease and identify a bug

the second you say, but you have a good excuse: the documentation
is confusing. More exactly, it is the logic of the LSDA calculation that
is confusing: different spin polarizations appear as copies of the same
k-point. So if you want to plot spin-down, you have to specify kpoint=2
(in your case, with one k-point), not spin_polarization=2 (used only
in the noncollinear case). The documentation has been made more
explicit on this point. Thank you for pointing out this

Paolo
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Paolo Giannozzi, Democritos and University of Udine, Italy