[Pw_forum] wavefunction normalization
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
On 12/06/2013, at 2:00 AM, pari shok <parishok at gmail.com> wrote:
> Dear All,
> 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
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