On 16/01/2019 08:31, Fabrizio Cossu wrote:
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;
Not really, ph and matdyn give and read (by default) q-point in
cartesian coordinates in units of 2pi/alat (alat is usually celldm(1)).
matdyn can read points in crystallographic coordinates with the switch
q_in_cryst_coord=.true.
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).
I think this is already the case, do you have any specific example where
you think it is not?
--
Lorenzo Paulatto - Paris
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