[QE-users] Gamma Point

[Felipe Toledo Carrasco]

Thanks for your answer.

Regards


El jue., 2 jul. 2020 a las 2:51, Lorenzo Paulatto (<paulatz at gmail.com>)
escribió:

> Hello Felipe,
>  > K_POINTS (gamma)?
>
> This syntax is betterm because the code will use the property of the
> Gamma-point to use real-valued wavefunctions, saving half the memory and
> the time on Fourier transforms...
>
> But some codes (es. phonon) do not work with Gamma-point tricks, in that
> case you have to use the following syntax to ensure compatibility
>
> > K_POINTS (automatic)
> > 1 1 1 0 0 0 or
>
> cheers
>
>
> >
> >
> > Regards.
> >
> > --
> >
> >
> > _______________________________________________
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>
> --
> Lorenzo Paulatto - Paris
> _______________________________________________
> Quantum ESPRESSO is supported by MaX (www.max-centre.eu/quantum-espresso)
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-- 
Felipe Toledo Carrasco
Licenciado en Ciencias Químicas - Químico
Concepción - Chile
2018
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