subroutine dump_orbitals(nBas,c) ! Write orbitals in a file implicit none include 'parameters.h' ! Input variables integer,intent(in) :: nBas ! Local variables integer :: mu,p ! Output variables double precision,intent(out) :: c(nBas,nBas) ! Open file with orbitals open(unit=12,file='int/MO.dat') ! Dump orbitals do mu=1,nBas do p=1,nBas if(abs(c(mu,p)) > 1d-15) write(12,'(I6,I6,F20.15)') mu,p,c(mu,p) enddo enddo ! Close file 12 close(unit=12) end subroutine dump_orbitals