[Pw_forum] data structure of wave function and charge density

[Prasenjit Ghosh]

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Prasenjit.

2008/10/7 yumin qian <yuminqian at gmail.com>

>     I need to write a small program to do some  post -process calcualtion ,
> and I need to read in the wave function and charge density , But I
> don't know the data structure of the wave function evc(npwx,nbnd)  or
> evc(npwx*npol,nbnd) in noncolinear case ,In LSDA case what about the
> spin part of wavefunction ?and what is the mean of npol (
> number of coordinates of wfc) ?
>   thank you
>
>
>
>
> --
> Sincerely Y. M. Qian
> Lab.of Condensed Matter Theory and Materials Computation
> Institute of Physics
> Chinese Academy of Sciences
> Tel:  + 8610 8264 9147
> E-Mail:yuminqian at gmail.com <E-Mail%3Ayuminqian at gmail.com>
> P.O.Box 603   Beijing 100190
> China
>
>
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PRASENJIT GHOSH,
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