[Wien] Problem in the no. of U(Gx,Gy,Gz) & G-vectors

[fatemeh.mirjani]

Dear Prof.Blaha;

Please accept my thanks for your previous guidelines and my sincere apologize for asking question.
I have extracted c(G) coefficients from case.output1, so the only remained variable is theta(G).
M_mn(k1, k2)=<u_m, k1|u_n, k2>= sigma_ij{ (c*(Gi)_m,k1) * theta(Gi-Gj) * (c(Gj)_n,k2) }

I put these following do loops in the last line of rean0.F in order to extract U(Gx,Gy,Gz) or in other words theta(G).
do I1=1,IFFT1
 do I2=1,IFFT2
  do I3=1,IFFT3
    write(2229,*) U(I1,I2,I3)
  end do
 end do
end do
Runnig lapw0 for a sample, the fort.2229 is produced. (including 729000 lines!  90^3=729000)

On the one hand the number of result of FFT is equal to the mesh which is used for example 90*90*90, On the other hand, "i,j" in the mentioned formula change from 1 to the number of G-vectors. So the number of theta(G) is expected to be of the order of G-vectors no.
So in this step 729000 theta are not reasonable for me.
I'm sure I made a mistake in somewhere or maybe I didn't understand something correctly. Would you please guide me in this issue?

Your help is appreciated like your previous favor.

With my best regards,
Fatemeh
-- 
+------------------------------------------------------------------------------+
|Fatemeh Mirjani                              | Email: f_mirjani at ph.iut.ac.ir  |
|Computational Condensed Matter Research Lab. | Tel/Fax Office: +98311-3913746 |
|ICTP Affiliated Center in Isfahan,           | Tel Lab.: +98311-3913731       |
+----------Physics Department, Isfahan University of Technology, Iran----------+