program import_kconserv PROVIDE ezfio_filename call run end subroutine run use map_module implicit none BEGIN_DOC ! read kconserv in physicists' notation order ! if kconserv(i,j,k)=l, then is allowed by symmetry ! NOTE: pyscf stores this internally in the order of chemists' notation (ik|jl) END_DOC integer :: iunit integer :: getunitandopen integer ::i,j,k,l integer, allocatable :: A(:,:,:) allocate(A(kpt_num,kpt_num,kpt_num)) A = 0 iunit = getunitandopen('K.qp','r') do read (iunit,*,end=10) i,j,k,l A(i,j,k) = l enddo 10 continue close(iunit) call ezfio_set_nuclei_kconserv(A) call ezfio_set_nuclei_io_kconserv("Read") deallocate(A) end