[Pw_forum] wavefunction normalization

Hongze Xia hongze.x at gmail.com
Wed Jun 12 05:23:57 CEST 2013


As far as I know,

psi(r) = \sum_k c(n,k)*exp(-i r*k)

\sum_n c*(n,k)*c(n,k) = 1

It seemed to me that the psi^2 in post processing is different from what I wrote for the second equation.

Hope that helps

Best regards,

On 12/06/2013, at 2:00 AM, pari shok <parishok at gmail.com> wrote:

> Dear All,
> Hi.
> I was wondering whether the wavefunction squares calculated by post-processing are normalized.
> Thanks for any kinds of help.
> P Shok
> _______________________________________________
> Pw_forum mailing list
> Pw_forum at pwscf.org
> http://pwscf.org/mailman/listinfo/pw_forum

-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20130612/eb8cfd59/attachment.html>

More information about the users mailing list