radtools.BCC_standardize_cell#
- radtools.BCC_standardize_cell(cell, rtol=0.0001, atol=1e-08)[source]#
Analyse arbitrary cell and redefine vectors if required to satisfy the BCC lattice conditions.
See Body-centered cubic (BCC) for the details.
- Parameters:
- cell(3,3) numpy.ndarray
Primitive unit cell.
- rtolfloat, default
REL_TOL Relative tolerance for numerical comparison. Ignored here, but preserved for the unification of input.
- atolfloat, default
ABS_TOL Absolute tolerance for numerical comparison. Ignored here, but preserved for the unification of input.
- Returns:
- cell(3,3) numpy.ndarray
Primitive unit cell.