[Pw_forum] nscf calculation

dario rocca roccad at gmail.com
Tue Nov 1 14:36:27 CET 2016


Dear Q.J. Wang,
No, it is not possible.
In a nscf calculation you need to "fix" your Hamiltonian which is
determined from a previous scf calculation.
Best,
Dario Rocca

On Tue, Nov 1, 2016 at 2:06 PM, Q.J.Wang <wangqj1 at 126.com> wrote:

> Dear QE developer,
> I want to know whether QE can perform a nscf calculation without a scf
> calculation?
>
>
>
> --
> Best regards
>
> Q.J.Wang
>
> XiangTan University
>
>
>
>
> _______________________________________________
> Pw_forum mailing list
> Pw_forum at pwscf.org
> http://pwscf.org/mailman/listinfo/pw_forum
>
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