I'm not sure but I guess the path is something like this (all points in
cartesian coordinates in unit of 2pi/a)
Gamma (000) -> K (0,0.75,0.75) -> X (0,1,1) [this not the usual X but is
an equivalent one along the sigma line]
X(100)-> Gamma(000) -> L(0.5,0.5,0.5) [standard delta e lambda lines]
L(0.5,0.5,0.5) ->X(1,0,0) [this is not a symmetry line, it's just my guess]
X(100) -> W(1,0, 0.5) -> L (0.5,0.5,0.5) [these are quite short
lines with some symmetry]
HTH
stefano
On 25/08/21 13:51, Pooja Vyas wrote:
Dear users,
I want to plot PDC for fcc-CaO using matdyn.x, for symmetry points
mentioned in the attached image. Can I know the order of points to be
given in the i/p file so as to reproduce the same plot? Because,
though I mention the same points, my plot shows some extra plane and
looks quite different from the attached plot.
_______________________________________________
Quantum ESPRESSO is supported by MaX (www.max-centre.eu)
users mailing list users@lists.quantum-espresso.org
https://lists.quantum-espresso.org/mailman/listinfo/users
_______________________________________________
Quantum ESPRESSO is supported by MaX (www.max-centre.eu)
users mailing list users@lists.quantum-espresso.org
https://lists.quantum-espresso.org/mailman/listinfo/users
