tol (free format): integration threshold (recommended value 7)
n_elf, n_aim (free format) : numbers of ELF and AIM basins considered (if 0 all the basins are taken into account in the calculation)
skip if n_elf=0: (elf_ind(i),i=1,n_elf): label of the considered ELF basins in the order of the bas09 output.
skip if n_aim=0: (aim_ind(i),i=1,n_aim): label of the considered AIM basins in the order of the bas09 output.
Example: H2O all electron calculation
The variance calculation is not valid for MP2 wave functions use fast_pop. The variance calculation is not valid on a part of the molecule use fast_pop (asymmetric unit).