Dear QE users,
The comments in the code compute_ppsi.f90 state that ipol=(1,2,3) refer
to the Cartesian coordinates, and this seems compatible with the
comments in commutator_Hx_psi.f90. However, after checking the output of
the compute_ppsi.f90 code, it seems to me that it refers to the crystal
coordinates (a1, a2, a3). I'm running these tests in graphene.
Does anyone know if there's some sort of confusion between coordinates here?
Best regards,
--
Gerson J. Ferreira
Instituto de Física
Universidade Federal de Uberlândia
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