On Aug 1, 2009, at 10:21 , xirainbow wrote: > In "/espresso-4.0.4/examples/example06/results/alas444.fc", > there are two atoms per unit cell: one is Al, the other is As.
ok, there are two atoms, sorry about that. So there will be 3 (polarization 1) * 3 (polarization 2) * 2 (atom 1) * 2 (atom 2) groups of force constants, listed as a function of R. --- Paolo Giannozzi, Dept of Physics, University of Udine via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222