[Wien] rean0.F & setfft.f

[fatemeh.mirjani]

I wanted to extract the FFT of step-function for all G-vectors.
I did 2 steps:

Firstly at the end of rean0.F , I wrote
       do I1=1,IFFT1
       do I2=1,IFFT2
       do I3=1,IFFT3
        write(6788,*)I1,I2,I3,U(I1,I2,I3)
       end do
       end do
       end do

Secondly, at setfft.f I wrote "write(6664,*)I1,I2,I3,kkk(1,j),kkk(2,j),kkk(3,j)"
after these lines:       
      I1=ii1
        IF(I1.LT.0) I1=I1+IFFT1
      I2=ii2
        IF(I2.LT.0) I2=I2+IFFT2
      I3=ii3
        IF(I3.LT.0) I3=I3+IFFT3


Finally I wrote a program to extarct the theta(G) which is corresponding to it's G-vector.

Now I want to know are these changes true? 

Thanks in advance,
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----------+