[mo_tot_num] type: integer doc: Total number of molecular orbitals and the size of the keys corresponding interface: ezfio [mo_coef] type: double precision doc: coefficient of the ith ao on the jth mo interface: ezfio size: (ao_basis.ao_num,mo_basis.mo_tot_num) [mo_label] type: character*(64) doc: Label characterizing the MOS (local, canonical, natural, etc) interface: ezfio [mo_occ] type: double precision doc: MO occupation numbers interface: ezfio size: (mo_basis.mo_tot_num) [ao_md5] type: character*(32) doc: Ao_md5 interface: ezfio