[Pw_forum] inverse participation ratio
Roberto Guerra
robguerra at unimore.it
Wed Sep 1 11:24:32 CEST 2010
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.
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