[QE-users] Dielectric tensor

[Stefano Baroni]

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 <mailto:mcbennet at ncsu.edu>
> 
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— 
Stefano Baroni -  SISSA, Trieste - http://stefano.baroni.me <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]





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