[SIESTA-L] Re: eigenvalues cml units

[Gary Yuan]

I should probably say that I'm running siesta-3.0-rc2.

On Tue, Jun 7, 2011 at 12:10 PM, Gary Yuan <gmy...@ucdavis.edu> wrote:

> Hi Siesta Users,
>
> I'd like to confirm the units used between the SYSTEMLABEL.xml CML file
> Eigenvalues property list elements and SYSTEMLABEL.EIG.
>
> As far as I understand both are supposed to be in electron-volts, however,
> one must not be since they are different numerically. I think
> SYSTEMLABEL.xml eigenvalues are actually printed in Rydberg while the units
> attribute states siestaUnits:ev.
>
> Can someone verify or disqualify this?
>
> Thanks.
>
> Gary.
>