RotateOrbs Subroutine

    subroutine RotateOrbs()

        if (iProcIndex == Root) then

! If we are reading in our own transformation matrix (coeffT1) don't need a lot of the initialisation stuff.
            if (tReadInCoeff .or. tUseMP2VarDenMat .or. tFindCINatOrbs .or. tUseHFOrbs) then

                tNotConverged = .false.
                call FindNatOrbitals()

            else
! Need to actually find the coefficient matrix and then use it.

                tNotConverged = .true.
                call InitLocalOrbs()        ! Set defaults, allocate arrays, write out headings
                ! for OUTPUT, set integarals to HF values.

                if (tDiagonalizehij) then

                    call Diagonalizehij()
                    tNotConverged = .false.
                    Iteration = 2

                else if (tMaxHLGap) then
                    call EquateDiagFock()
                    tNotConverged = .false.

                else

                    tNotConverged = .true.

                    call WriteStats()           ! write out the original stats before any rotation.

                    call set_timer(Rotation_Time, 30)

                    do while (tNotConverged)     ! rotate the orbitals until the sum of the four index
                        ! integral falls below a chose convergence value.

                        Iteration = Iteration + 1

                        call FindNewOrbs()      ! bulk of the calculation.
                        ! do the actual transformations, moving the coefficients by
                        !a timestep according to the calculated force.

                        call WriteStats()       ! write out the stats for this iteration.

                    end do

                    call halt_timer(Rotation_Time)

                    write(stdout, *) "Convergence criterion met. Finalizing new orbitals..."

                end if

! Make symmetry, orbitals, one/two-electron integrals consistent with rest of NECI
                call FinalizeNewOrbs()

                call writebasis(stdout, G1, nBasis, ARR, BRR)

                call DeallocateMem()

            end if

            call neci_flush(stdout)
            call neci_flush(transform_unit)
        end if

    end subroutine RotateOrbs