Dear Sir/Ma'am,
When I compute the crystal symmetry and space group number for my system (plane 2d system), I see an option in the QuantumATK-R-2020.09-SP1 version called "Crystal Symmetry Info." Under this, there are two parameters:
(a) Position, which defines the tolerance of the fractional coordinates when searching for the space group.
(b) Angle, which defines the tolerance of the angles when searching for the space group.
My question is: What values should I use for these parameters to accurately identify the crystal symmetry and space group number?
