[Pw_forum] q not allowed

[Katalin Gaal-Nagy]

Dear all,

I am presently working on some phonon calculations for silicon in an 
two-atomic orthorhombic cell and I got an error message from the q2r:

%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
      from init : error #         1
      q not allowed

%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

I have to admit that I was not working with the "ESPRESSO" for quite a 
while (mayby I overlook something ...), and I just need some hints where 
to start with the search for the error.

Time ago (a long time ago...), I did some phonons on a 4x4x4 grid (at that 
time with the pw.1.2.0) and now I would like to extend this to a 4x4x8 
grid by calculating the "missing" q points for that grid. I succeded to 
receive the dynamical matrices for the missing q points from calculations 
I did on CINECA with the espresso-3.0 version.

The first use of q2r yields an error due to the masses (last two digits 
...) which I solved already.

Now my questions are:
1) Is there anything essential which I could have overlooked?
2) Is there a problem due to the use of different versions of ESPRESSO?
    Maybe some change related to symmetry operations?
    Or a bug in the "old" version I use for the q2r which is solved now?
3) Besides installing the new espresso and looking through q2r.f90, is
    there anything else which I could do?

Thanks in advance,
Katalin