Hello, I wish calculate the inverse participation ratio (IPR) as post processing of pwscf.
this is the formula: http://ulisse.fisica.unimo.it/ipr.png where "i" is the index of the volume element. The problem (beside my unaptness about fortran) is that the wave functions are in the real space, and therefore I guess I have to call an inverse fft for each IPR calculation. What do you think is the best way to code such a thing? As a separate program or together with pp or some other tool? Is there any source where to take routines suitable for this task? Thank you, Roberto.
