Ciao Lorenzo, thank you for your reply. On Wed, 16 Jan 2019 at 17:29, Lorenzo Paulatto <[email protected]> wrote:
> > > 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)). > I apologise for my wrong statement. I thought I read that 'read' and 'write' formats did not coincide. Instead, as it actually works makes perfect sense, as many plotting tools would work out-of-the-box with cartesian. > matdyn can read points in crystallographic coordinates with the switch > q_in_cryst_coord=.true. > Yeah, I know that. I erroneously switched to ".true." in view of what I erroneously thought. > > 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? > Ditto. I'll review the inputs, but I haven't run any calculation so far. I'll check tutorials first and, if really needed, I'll open a new post. > > -- > Lorenzo Paulatto - Paris > _______________________________________________ > users mailing list > [email protected] > https://lists.quantum-espresso.org/mailman/listinfo/users Kind regards, Fabrizio
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