[Spglib-users] Algorithm for refine_cell

[Andrius M. <and...@gm...>]

Dear all,

I am using pyspglib's refine_cell() to convert the results of quantum
simulations to unit cells of the crystal. I would like to know what
algorithms are performed by refine_cell() procedure? As far as I know
the symmetry reduction, as by Grosse-Kunstleve (1999), is performed,
but I am unable to identify the unit cell reduction algorithm (is the
Krivy & Gruber (1976) or Grosse-Kunstleve et al. (2003) algorithm
employed?). I would be very grateful to find the details on this
issue.

Best wishes,
Andrius Merkys