[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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