[DFTB-Plus-User] SK files for Cd and Se

Stephan Irle stephan.irle at gmail.com
Wed Oct 14 20:49:21 CEST 2020


Hi Brendan,

At some point I had contacted the corresponding author Pranab Sakhar but
never received a response.  Perhaps good idea to try again.  However, the
electronic parameters may not be that great if one looks at their
bandstructures.

With best regards

Stephan

On Wed, Oct 14, 2020 at 2:15 PM Brendan Smith <bsmith24 at buffalo.edu> wrote:

> Hello,
>
> I was wonder if there is anywhere SK files for Cd and Se? I see lots of
> literature regarding parameterization, but no publicly available SK files.
>
> If one happens to have these, can you please share it with everyone?
> Perhaps also the relevant literature to cite?
>
> Best,
> Brendan Smith
> SUNY Buffalo
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