[DFTB-Plus-User] How can I get the Eigenvectors(down)?
Ben Hourahine
benjamin.hourahine at strath.ac.uk
Tue Aug 25 22:27:22 CEST 2020
Hello,
is your calculation spin polarized? If not, then both up and down are
identical.
Regards
Ben
On 12/08/2020 00:41, Danyang Wang wrote:
> Hi,
>
> Hi,
> I need to find the eigenvectors of atoms and it shows below:
>
> Coefficients and Mulliken populations of the atomic orbitals
> Eigenvector: 1 (up)
> 1 H s 1.000000 1.000000
>
> Could anybody tell me why all of the output eigenvectors are up? Is
> there any ways to get eigenvectors (down)? Thank you.
>
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