Dear experts, I am trying to convert the reciprocal space wavefunction to real space with the code I wrote, and the shape looks good and matches the input unit cell. Later, I found out that there is a QE program that does the same thing, wfck2r.x. However, upon comparing, I observed that my converted wavefunction is 100 times lower than that of wfck2r.x. In my code, I have used the same subroutines waveg2r and invfft as were used in wfck2r.x, with an additional explicit renormalisation which was missing in the source code of wfck2r.f90. I wanted to know if the wave function produced by wfck2r.x is already normalised (perhaps within the invfft or waveg2r)? And does it need to be renormalised to further use it in a calculation?
Best, Yuvam
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