[QE-users] Zero padding FFT

Sonu Kumar 1009ukumar at gmail.com
Fri Nov 13 03:46:16 CET 2020


>
> Hi users,
>
> For a given orbital, coefficients in g-space are defined up to 4*ecutwfc,
> a sphere. To get to the reciprocal space FFT grid, a box, do we place zeros
> everywhere else (outside the sphere but inside the FFT grid)?
>

Yes, see developer manual, section 6.1. Note the sphere is inscribed inside
the FFT grid.

*SKumar |  PhD.*

>
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