[Pw_forum] FFT - Help

[Paolo Giannozzi]

On Tue, 2015-03-03 at 16:38 +0100, aritz leonardo wrote:into the BOX.

> is there an easy way (a postprocessing tool) that fourier transforms
> the wavefunction once the calculation has finished and is collected? 

there are plenty of routines performing FFTs on wavefunctions: 
just look for "fwfft" (R=>G) or "invfft" (G=>R) on grid 'Wave'.

P.
-- 
 Paolo Giannozzi, Dept. Chemistry&Physics&Environment, 
 Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
 Phone +39-0432-558216, fax +39-0432-558222