[QE-users] Dielectric tensor

[Chandler Bennett]

Possibly it is being predicted as metallic, yes. What is the best/fastest
strategy to confirm this in QE?

On Fri, Aug 10, 2018 at 10:41 AM Stefano Baroni <baroni at sissa.it> wrote:

> Most likely because they are exceedingly large. are you sure that your
> system is an insulator? (both in Nature and in DFT!) — Stefano
>
> On 10 Aug 2018, at 15:58, Chandler Bennett <mcbennet at ncsu.edu> wrote:
>
> I am attempting to run ph.x on a converged scf calculation (geometry taken
> from a converged vc-relax run).
>
> However, for the dielectric tensor, I see the following
>
> ************************          1.615397406741         -0.000000000000
>           1.211548055056************************         -0.000000000139
>           0.000000000121          0.000000000209        291.291652303297
>
> Can someone help me understand why some of the matrix elements are not
> being printed correctly?
>
>
> --
>
> Chandler Bennett
> NCSU Department of Physics
> Partners III Building, Rm 133
> Phone: (919) 291-6597
> mcbennet at ncsu.edu
>
> _______________________________________________
> users mailing list
> users at lists.quantum-espresso.org
> https://lists.quantum-espresso.org/mailman/listinfo/users
>
>
> —
> Stefano Baroni -  SISSA, Trieste - http://stefano.baroni.me, stefanobaroni
> (Skype)
>
> And aren’t we all tired of those who claim to know the answer to life,
> death and the creation being so […] sensitive about their knowledge?
> [Stephen Fry]
>
>
>
>
>
> _______________________________________________
> users mailing list
> users at lists.quantum-espresso.org
> https://lists.quantum-espresso.org/mailman/listinfo/users



-- 

Chandler Bennett
NCSU Department of Physics
Partners III Building, Rm 133
Phone: (919) 291-6597
mcbennet at ncsu.edu
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20180810/b49a8f46/attachment.html>