set how symmetry is used to reduce k-points
 
:Parameters:
 
 val : Boolean
   set_sym(True) Maximum symmetry is used
   set_sym(False) No symmetry is used
 
This variable controls the if and how DACAPO should attempt
using symmetry in the calculation. Imposing symmetry generally
speeds up the calculation and reduces numerical noise to some
extent. Symmetry should always be applied to the maximum
extent, when ions are not moved. When relaxing ions, however,
the symmetry of the equilibrium state may be lower than the
initial state. Such an equilibrium state with lower symmetry
is missed, if symmetry is imposed. Molecular dynamics-like
algorithms for ionic propagation will generally not break the
symmetry of the initial state, but some algorithms, like the
BFGS may break the symmetry of the initial state. Recognized
options:
 
"Off": No symmetry will be imposed, apart from time inversion
symmetry in recipical space. This is utilized to reduce the
k-point sampling set for Brillouin zone integration and has no
influence on the ionic forces/motion.
 
"Maximum": DACAPO will look for symmetry in the supplied
atomic structure and extract the highest possible symmetry
group. During the calculation, DACAPO will impose the found
spatial symmetry on ionic forces and electronic structure,
i.e. the symmetry will be conserved during the calculation.