Hello QE users, I was investigating the IFCs generated by q2r.x after scf and ph calculations. It looks like the force constant matrix for certain pairs of atoms is not symmetric (with respect to the cartesian coordinates). For silicon, the IFC matrices have to be symmetric with respect to the cartesian coordinates - right? For aluminum, the output is symmetric, as expected. Any thoughts?
Thanks a lot! --Navaneeth Caltech.
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