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

For elphon, unfortunately, you still have to do _all_ of the perturbations 
explicitly.

You have correctly added rfdir 1 0 0 then 0 1 0 then 0 0 1, but you must 
also do separate datasets for each atom:

rfatom 1 1 rfdir 1 0 0
rfatom 1 1 rfdir 0 1 0
rfatom 1 1 rfdir 0 0 1
rfatom 2 2
rfatom 3 3...

which makes 3*natom datasets for each qpoint.

We should add a flag to tell abinis not to reduce the perturbations by 
symmetry, in preparation for an elphon run, but this is still not done.

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