The ABINIT Users Mailing List ( CLOSED )

[joydeep@jncasr.ac.in]

Dear Abinitians,

I am trying to use the fourwf.F90 subroutine
to do an reverse FFT using option 3. I am having
problem at the (0.0,0.0,0.0) and BZ edge
points ,ie, (0.5,*,*) type points in the k-mesh.
It seems to be doing fine at other k-points in the BZ.
May be these k-points need some extra packing of the 
real space wave function which I am missing out.
I see that that normalization of wave function within
the G sphere st these k-points is 0.5 instead of 1.0. 

Thanks in advance for comments or pointing to relevant
documentation which may already exist in the distribution.

Joydeep