Dear Robert and all, Thanks for your email. Indeed, the quantity I am looking for does not depend on the value of Kz. The main issue is that the Mmn matrix should calculate on a Kx-Ky plane with any arbitrary Kz. Please look at the fallowing input files and let's me know if it's right or wrong. Hope to receive your comments. ***************************************************** num_bands = 12 num_wann = 8 !spinors = true begin projections Si : sp3 end projections one_dim_axis = z dist_cutoff_mode = two_dim dist_cutoff = 9.76 devel_flag=kmesh_degen skip_B1_tests = .true. begin unit_cell_cart bohr -5.1000 0.0000 5.1000 0.0000 5.1000 5.1000 -5.1000 5.1000 0.0000 end unit_cell_cart begin atoms_frac Si 0.00 0.00 0.00 Si -0.25 0.75 -0.25 end atoms_frac mp_grid = 8 8 1 begin kpoints 0.00000000 0.00000000 0.00000000 1.562500e-02 0.00000000 0.12500000 0.00000000 1.562500e-02 . . . end kpoints ************************************************* Best, Ali Dehghan Shiraz university, Iran