[Pw_forum] further: born charges in rhombohedral unit cell.

[Stefano de Gironcoli]

then I don't understand your previous posts where you say that the 
eigenvalues are complex.
stefano


On 04/08/2011 04:11 PM, sonu kumar wrote:
> Respected Prof. and QE users,
>
>> so, i guess, Na(H) should have diagonal Z*
> Yes.
>
>> while F could have off
>> diagonal one and could be non-symmetric ...
> No, it also has only diagonal elements, which are* (along with H and Na)
> (prb 73, 155114, ͑2006,      section VII, part-C*)
>
>   direction                      H           F          Na*
>
> xx/yy*                         ~0.34     ~ -.7     ~1.06
> zz                               ~2          ~ -1.5   ~ 1
>
>
> Thank you.
>
> with regards,
> Sonu
> IITD
>
>
>
> _______________________________________________
> Pw_forum mailing list
> Pw_forum at pwscf.org
> http://www.democritos.it/mailman/listinfo/pw_forum

-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20110408/2f5d979a/attachment.html>