[QE-users] Wave function on dense grid

[Duy Le]

Dear Developers (and all),

I want to have wave function and charge density on the same real-space grid
(preferably on dfftp). I tried 2 ways:
call invfft ('Rho', psic, dfftp)
Or
call invfft ('Wave', psic, dffts)
call fft_interpolate (dffts, psic, dfftp, psic )

Both give identical results. I wonder if they are both correct ways to do
this. Or did I miss something

Another question: there are couple different way to get Fourier Coefficient
(davcio, read_collected_wfc, get_buffer). I test them all and they seem to
work well. I wonder if you could tell me the advantage/disadvantage of each
subroutine?

Thank you very much.
Duy Le
University of Central Florida
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