diff --git a/src/basis_correction/print_su_pbe_ot.irp.f b/src/basis_correction/print_su_pbe_ot.irp.f new file mode 100644 index 00000000..49f90ade --- /dev/null +++ b/src/basis_correction/print_su_pbe_ot.irp.f @@ -0,0 +1,28 @@ +program basis_corr_su_pbe_ot + implicit none + BEGIN_DOC +! TODO : Put the documentation of the program here + END_DOC + read_wf = .True. + touch read_wf + no_core_density = .True. + touch no_core_density + if(io_mo_two_e_integrals .ne. "Read")then + provide ao_two_e_integrals_in_map + endif + provide mo_two_e_integrals_in_map + call print_su_pbe_ot + +end + +subroutine print_su_pbe_ot + implicit none + integer :: istate + do istate = 1, N_states + write(*, '(A29,X,I3,X,A3,X,F16.10)') ' ECMD PBE-UEG , state ',istate,' = ',ecmd_pbe_ueg_mu_of_r(istate) + enddo + do istate = 1, N_states + write(*, '(A29,X,I3,X,A3,X,F16.10)') ' ECMD SU-PBE-OT , state ',istate,' = ',ecmd_pbe_on_top_su_mu_of_r(istate) + enddo + +end