[QE-users] Zero padding FFT

Andrew Xu andrewaccount at gmail.com
Fri Nov 13 00:26:12 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)?

If so, do you know where that is done in the code -- the closest I found is
ggen in recvec_subs.f90, but that seems to only generate the G-vectors?

Best,
Andrew
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