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 Phone +39-0432-558216, fax +39-0432-558222
