Not sure about this specific case, but only some of the symmetries of the
dynamical matrix are enforced in the calculation (in particular: symmetries
wrt operations of the small group of q). Other symmetries are not enforced
and should "emerge naturally" from the calculation. If I remember
Dear all,
I'am trying to understand the symmetries of the dynamical matrix given in the
phonon output :
Dynamical Matrix in cartesian axes
q = ( 0.0 0.0 0.0 )
1 1
0.26846543 0. -0.00021832 0. -0.00074984 0.
-0.00021197
Dear all,
I'am trying to understand the symmetries of the dynamical matrix given in the
phonon output :
Dynamical Matrix in cartesian axes
q = ( 0.0 0.0 0.0 )
1 1
0.26846543 0. -0.00021832 0. -0.00074984 0.
-0.00021197
