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ratqr.f
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1996-09-28
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subroutine ratqr(n,eps1,d,e,e2,m,w,ind,bd,type,idef,ierr)
c
integer i,j,k,m,n,ii,jj,k1,idef,ierr,jdef
double precision d(n),e(n),e2(n),w(n),bd(n)
double precision f,p,q,r,s,ep,qp,err,tot,eps1,delta,epslon
integer ind(n)
logical type
c
c this subroutine is a translation of the algol procedure ratqr,
c num. math. 11, 264-272(1968) by reinsch and bauer.
c handbook for auto. comp., vol.ii-linear algebra, 257-265(1971).
c
c this subroutine finds the algebraically smallest or largest
c eigenvalues of a symmetric tridiagonal matrix by the
c rational qr method with newton corrections.
c
c on input
c
c n is the order of the matrix.
c
c eps1 is a theoretical absolute error tolerance for the
c computed eigenvalues. if the input eps1 is non-positive,
c or indeed smaller than its default value, it is reset
c at each iteration to the respective default value,
c namely, the product of the relative machine precision
c and the magnitude of the current eigenvalue iterate.
c the theoretical absolute error in the k-th eigenvalue
c is usually not greater than k times eps1.
c
c d contains the diagonal elements of the input matrix.
c
c e contains the subdiagonal elements of the input matrix
c in its last n-1 positions. e(1) is arbitrary.
c
c e2 contains the squares of the corresponding elements of e.
c e2(1) is arbitrary.
c
c m is the number of eigenvalues to be found.
c
c idef should be set to 1 if the input matrix is known to be
c positive definite, to -1 if the input matrix is known to
c be negative definite, and to 0 otherwise.
c
c type should be set to .true. if the smallest eigenvalues
c are to be found, and to .false. if the largest eigenvalues
c are to be found.
c
c on output
c
c eps1 is unaltered unless it has been reset to its
c (last) default value.
c
c d and e are unaltered (unless w overwrites d).
c
c elements of e2, corresponding to elements of e regarded
c as negligible, have been replaced by zero causing the
c matrix to split into a direct sum of submatrices.
c e2(1) is set to 0.0d0 if the smallest eigenvalues have been
c found, and to 2.0d0 if the largest eigenvalues have been
c found. e2 is otherwise unaltered (unless overwritten by bd).
c
c w contains the m algebraically smallest eigenvalues in
c ascending order, or the m largest eigenvalues in
c descending order. if an error exit is made because of
c an incorrect specification of idef, no eigenvalues
c are found. if the newton iterates for a particular
c eigenvalue are not monotone, the best estimate obtained
c is returned and ierr is set. w may coincide with d.
c
c ind contains in its first m positions the submatrix indices
c associated with the corresponding eigenvalues in w --
c 1 for eigenvalues belonging to the first submatrix from
c the top, 2 for those belonging to the second submatrix, etc..
c
c bd contains refined bounds for the theoretical errors of the
c corresponding eigenvalues in w. these bounds are usually
c within the tolerance specified by eps1. bd may coincide
c with e2.
c
c ierr is set to
c zero for normal return,
c 6*n+1 if idef is set to 1 and type to .true.
c when the matrix is not positive definite, or
c if idef is set to -1 and type to .false.
c when the matrix is not negative definite,
c 5*n+k if successive iterates to the k-th eigenvalue
c are not monotone increasing, where k refers
c to the last such occurrence.
c
c note that subroutine tridib is generally faster and more
c accurate than ratqr if the eigenvalues are clustered.
c
c questions and comments should be directed to burton s. garbow,
c mathematics and computer science div, argonne national laboratory
c
c this version dated august 1983.
c
c ------------------------------------------------------------------
c
ierr = 0
jdef = idef
c .......... copy d array into w ..........
do 20 i = 1, n
20 w(i) = d(i)
c
if (type) go to 40
j = 1
go to 400
40 err = 0.0d0
s = 0.0d0
c .......... look for small sub-diagonal entries and define
c initial shift from lower gerschgorin bound.
c copy e2 array into bd ..........
tot = w(1)
q = 0.0d0
j = 0
c
do 100 i = 1, n
p = q
if (i .eq. 1) go to 60
if (p .gt. epslon(dabs(d(i)) + dabs(d(i-1)))) go to 80
60 e2(i) = 0.0d0
80 bd(i) = e2(i)
c .......... count also if element of e2 has underflowed ..........
if (e2(i) .eq. 0.0d0) j = j + 1
ind(i) = j
q = 0.0d0
if (i .ne. n) q = dabs(e(i+1))
tot = dmin1(w(i)-p-q,tot)
100 continue
c
if (jdef .eq. 1 .and. tot .lt. 0.0d0) go to 140
c
do 110 i = 1, n
110 w(i) = w(i) - tot
c
go to 160
140 tot = 0.0d0
c
160 do 360 k = 1, m
c .......... next qr transformation ..........
180 tot = tot + s
delta = w(n) - s
i = n
f = dabs(epslon(tot))
if (eps1 .lt. f) eps1 = f
if (delta .gt. eps1) go to 190
if (delta .lt. (-eps1)) go to 1000
go to 300
c .......... replace small sub-diagonal squares by zero
c to reduce the incidence of underflows ..........
190 if (k .eq. n) go to 210
k1 = k + 1
do 200 j = k1, n
if (bd(j) .le. (epslon(w(j)+w(j-1))) ** 2) bd(j) = 0.0d0
200 continue
c
210 f = bd(n) / delta
qp = delta + f
p = 1.0d0
if (k .eq. n) go to 260
k1 = n - k
c .......... for i=n-1 step -1 until k do -- ..........
do 240 ii = 1, k1
i = n - ii
q = w(i) - s - f
r = q / qp
p = p * r + 1.0d0
ep = f * r
w(i+1) = qp + ep
delta = q - ep
if (delta .gt. eps1) go to 220
if (delta .lt. (-eps1)) go to 1000
go to 300
220 f = bd(i) / q
qp = delta + f
bd(i+1) = qp * ep
240 continue
c
260 w(k) = qp
s = qp / p
if (tot + s .gt. tot) go to 180
c .......... set error -- irregular end of iteration.
c deflate minimum diagonal element ..........
ierr = 5 * n + k
s = 0.0d0
delta = qp
c
do 280 j = k, n
if (w(j) .gt. delta) go to 280
i = j
delta = w(j)
280 continue
c .......... convergence ..........
300 if (i .lt. n) bd(i+1) = bd(i) * f / qp
ii = ind(i)
if (i .eq. k) go to 340
k1 = i - k
c .......... for j=i-1 step -1 until k do -- ..........
do 320 jj = 1, k1
j = i - jj
w(j+1) = w(j) - s
bd(j+1) = bd(j)
ind(j+1) = ind(j)
320 continue
c
340 w(k) = tot
err = err + dabs(delta)
bd(k) = err
ind(k) = ii
360 continue
c
if (type) go to 1001
f = bd(1)
e2(1) = 2.0d0
bd(1) = f
j = 2
c .......... negate elements of w for largest values ..........
400 do 500 i = 1, n
500 w(i) = -w(i)
c
jdef = -jdef
go to (40,1001), j
c .......... set error -- idef specified incorrectly ..........
1000 ierr = 6 * n + 1
1001 return
end