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 <[email protected]> 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 <[email protected]> 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 > [email protected] > > _______________________________________________ > users mailing list > [email protected] > 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 > [email protected] > https://lists.quantum-espresso.org/mailman/listinfo/users -- Chandler Bennett NCSU Department of Physics Partners III Building, Rm 133 Phone: (919) 291-6597 [email protected]
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