[Pw_forum] Real displacements from the complex eigenvectors
nkxirainbow at gmail.com
Thu Jun 6 02:50:08 CEST 2013
Dear Alexandr Fonari:
I think the real displacement at q!=0 is : displacement =
real(eigenvector*exp(i*k*r-omega*t)). real() means the real part,
omega is frequency, t is time, r is the equilibrium position of atoms.
On Thu, Jun 6, 2013 at 2:12 AM, A F <af3_pw_forum at yahoo.com> wrote:
> Hello pw_forum,
> I have a question with regard to the normal modes at non G-point (q/=0).
> As discussed previously , phase is random.
> Thus my question is, how one can obtain displacements in real space from
> those complex displacements?
> 1. http://qe-forge.org/pipermail/pw_forum/2006-August/079408.html
> = = = = = = = = = =
> Alexandr Fonari,
> graduate student,
> Georgia Institute of Technology.
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School of physics, Fudan University, Shanghai, China
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