[Pw_forum] spin-polarized projwf option in cp.x
Paolo Giannozzi
giannozz at democritos.it
Thu May 6 11:10:15 CEST 2010
Giuseppe Mattioli wrote:
> At the end of such an scf calculation, wfc projections are printed in my
> outfile only for spin up electrons.
>
> Projection on atomic states
> atomic state atom specie wfc l m
> 1 - 2 2 1 1 0 0
> 3 - 4 2 1 2 1 -1
> 5 - 6 2 1 2 1 0
> 7 - 8 2 1 2 1 1
printed by which code and for which version?
In any case, you can process files produced by cp.x (use
option "disk_io='high'") with "projwfc.x"
P.
--
Paolo Giannozzi, Democritos and University of Udine, Italy
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