[Pw_forum] spin-polarized projwf option in cp.x

[Paolo Giannozzi]

I see, cp.x can calculate projections over atomic wavefunctions
but it doesn't do it proeprly for the spin-polarized case

> Second question: let us look at the first eigenvalue row
> 
> 0.6212 (contribution of the 2s orbital of atom 1 of species 1?)
> 0.6212 (contribution of the 2s orbital of atom 2 of species 1?)
> 0.1942 (contribution of the 2p(m1) orbital of atom 1 of species 1?)
> 0.1942 (contribution of the 2p(m1) orbital of atom 2 of species 1?)
> 0.0905 ...
> 0.0905 ...
> 0.2369 ...
> 0.2369 ...
> 
> Is my guess correct?

it is. "Projwfc.x" uses a more explicit format

P.
-- 
Paolo Giannozzi, Democritos and University of Udine, Italy