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[Matthieu Verstraete <mjv500@york.ac.uk>]

Hello Aldo,

> rprim    5.7005417696E-01  0.0000000000E+00  8.2160710521E-01
>             -2.8502708792E-01  4.9368140048E-01  8.2160710438E-01
>             -2.8502708792E-01 -4.9368140048E-01  8.2160710438E-01
My only immediate suggestion is here:

-2*acell(2,1) = 0.57005417583999995
   acell(1,1) = 0.57005417696000005

It could be that abinit is nit-picking about the last digits and breaking 
symmetry. Otherwise, remember that for q/=0 and for most perturbations 
(even for q=0) you do lower symmetry by moving an atom out of its Wyckoff 
position. I suspect that is not your problem, though.

Ciao

Matthieu

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Dr. Matthieu Verstraete                 mailto:mjv500@york.ac.uk
Dept. of Physics, University of York,     tel: +44 1904 43 22 08
Heslington, YO10 5DD York, United Kingdom fax: +44 1904 43 22 14