On Sat, Sep 19, 2020 at 12:40 PM Andrew Xu wrote:
In the eigenvectors coefficients, I'd like to clarify what each ordered
> pair represents.
>
Is each ordered pair one complex number with the real part in the first
> index, and imaginary part the second index?
>
yes
--
Paolo Giannozzi, Dip. Sc
Dear users,
I ran a simple scf calculation (with pw2casino enabled) on silicon with
only the gamma point. Part of the output is excerpted below:
WAVE FUNCTION
-
Number of k-points
1
k-point # ; # of bands (up spin/down spin);k-point coords (au)
1 16 0
