[Pw_forum] data structure of wave function and charge density

[Paolo Giannozzi]

yumin qian wrote:

>         evc(i,ibnd): ibnd is the band index, i is the index of plane waves
>         for the noncolinear case:
>           i=1,npw  are plane waves with up spin (polarization 1)
>           i=npwx+1,npwx+npw are PW with down spin (polarization 2)
>         npw depends on the k-point, npwx is the maximum npw
> 
>     i=npw+1 ,npw+npw are the PW with down spin polorization
>     because the file leading dimension of evc is npwx , is this the
>     correct understanding? 

no it isn't
-- 
Paolo Giannozzi, Democritos and University of Udine, Italy