[Pw_forum] fft 3D

[Paolo Giannozzi]

On Wed, 2013-05-15 at 16:45 -0700, Fang Liu wrote:

> In real space, the wavefunction is a real vector.

only for k=0 or if there is inversion symmetry

> I want to write some code using 3D fft (forward and backward) 
> in Quantum Espresso for general complex vector (stored in 3D 
> array)

I am not sure I understand what you want to do: the 3D FFT in
QE is quite general.

P.
-- 
 Paolo Giannozzi, Dept. Chemistry&Physics&Environment, 
 Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
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