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

2021-08-25 Thread 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 lambd

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

2021-08-25 Thread Pooja Vyas
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 dif