[QE-users] Query regarding plot for fcc PDC using matdyn.x

[Stefano de Gironcoli]

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.
>
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