We should implement a subroutine in symmetries.f90 to transform symmetry operations from Cartesian to crystal coordinates and vice versa (s_cryst_to_cart with +/-1 as for the atomic positions). In the meeting on 01/12/2023, we agreed that this subroutine should use matmul to preform the matrix multiplications to make the code more readable.
We should implement a subroutine in
symmetries.f90to transform symmetry operations from Cartesian to crystal coordinates and vice versa (s_cryst_to_cart with +/-1 as for the atomic positions). In the meeting on 01/12/2023, we agreed that this subroutine should usematmulto preform the matrix multiplications to make the code more readable.