Dear users of Quantum ESPRESSO,
I have two questions.
1.
I would like to obtain the values of the phononic dispersion on the
Brillouin zone (instead of just along some high symmetry lines). I know
that in the matdyn.x input I can specify the coordinates either in
cartesian or in crystallographic mode, and that ph.x gives in output
q-points in crystallographic coordinates, and so does matdyn.x; at least by
default. Is there any switch to cartesian coordinates? Surely I can do this
in post-processing, but having it already as output would make my life
easier.
2.
Analogously as above, but for the electronic band-structure (basically, I'd
like to plot the Fermi surface, but obtaining the q-points in cartesian
coordinates in units of 2π/a).
Thank you in advance,
Fabrizio
--
*Fabrizio Cossupostdoctoral fellow at APCTP (Asia Pacific Center for
Theoretical Physics)*,
Hogil Kim Memorial Building #501
POSTECH, 67 Cheongam-Ro, Nam-Gu,
Pohang-si, Gyeongsangbuk-do,
790-784 (37673), Republic of Korea
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