## table of contents

complex16OTHEReigen(3) | LAPACK | complex16OTHEReigen(3) |

# NAME¶

complex16OTHEReigen - complex16 Other Eigenvalue routines# SYNOPSIS¶

## Functions¶

subroutine

**zggglm**(N, M, P, A, LDA, B, LDB, D, X, Y, WORK, LWORK, INFO)

**ZGGGLM**subroutine

**zhbev**(JOBZ, UPLO, N, KD, AB, LDAB, W, Z, LDZ, WORK, RWORK, INFO)

**ZHBEV computes the eigenvalues and, optionally, the left and/or right eigenvectors for OTHER matrices**subroutine

**zhbev_2stage**(JOBZ, UPLO, N, KD, AB, LDAB, W, Z, LDZ, WORK, LWORK, RWORK, INFO)

**ZHBEV_2STAGE computes the eigenvalues and, optionally, the left and/or right eigenvectors for OTHER matrices**subroutine

**zhbevd**(JOBZ, UPLO, N, KD, AB, LDAB, W, Z, LDZ, WORK, LWORK, RWORK, LRWORK, IWORK, LIWORK, INFO)

**ZHBEVD computes the eigenvalues and, optionally, the left and/or right eigenvectors for OTHER matrices**subroutine

**zhbevd_2stage**(JOBZ, UPLO, N, KD, AB, LDAB, W, Z, LDZ, WORK, LWORK, RWORK, LRWORK, IWORK, LIWORK, INFO)

**ZHBEVD_2STAGE computes the eigenvalues and, optionally, the left and/or right eigenvectors for OTHER matrices**subroutine

**zhbevx**(JOBZ, RANGE, UPLO, N, KD, AB, LDAB, Q, LDQ, VL, VU, IL, IU, ABSTOL, M, W, Z, LDZ, WORK, RWORK, IWORK, IFAIL, INFO)

**ZHBEVX computes the eigenvalues and, optionally, the left and/or right eigenvectors for OTHER matrices**subroutine

**zhbevx_2stage**(JOBZ, RANGE, UPLO, N, KD, AB, LDAB, Q, LDQ, VL, VU, IL, IU, ABSTOL, M, W, Z, LDZ, WORK, LWORK, RWORK, IWORK, IFAIL, INFO)

**ZHBEVX_2STAGE computes the eigenvalues and, optionally, the left and/or right eigenvectors for OTHER matrices**subroutine

**zhbgv**(JOBZ, UPLO, N, KA, KB, AB, LDAB, BB, LDBB, W, Z, LDZ, WORK, RWORK, INFO)

**ZHBGV**subroutine

**zhbgvd**(JOBZ, UPLO, N, KA, KB, AB, LDAB, BB, LDBB, W, Z, LDZ, WORK, LWORK, RWORK, LRWORK, IWORK, LIWORK, INFO)

**ZHBGVD**subroutine

**zhbgvx**(JOBZ, RANGE, UPLO, N, KA, KB, AB, LDAB, BB, LDBB, Q, LDQ, VL, VU, IL, IU, ABSTOL, M, W, Z, LDZ, WORK, RWORK, IWORK, IFAIL, INFO)

**ZHBGVX**subroutine

**zhpev**(JOBZ, UPLO, N, AP, W, Z, LDZ, WORK, RWORK, INFO)

**ZHPEV computes the eigenvalues and, optionally, the left and/or right eigenvectors for OTHER matrices**subroutine

**zhpevd**(JOBZ, UPLO, N, AP, W, Z, LDZ, WORK, LWORK, RWORK, LRWORK, IWORK, LIWORK, INFO)

**ZHPEVD computes the eigenvalues and, optionally, the left and/or right eigenvectors for OTHER matrices**subroutine

**zhpevx**(JOBZ, RANGE, UPLO, N, AP, VL, VU, IL, IU, ABSTOL, M, W, Z, LDZ, WORK, RWORK, IWORK, IFAIL, INFO)

**ZHPEVX computes the eigenvalues and, optionally, the left and/or right eigenvectors for OTHER matrices**subroutine

**zhpgv**(ITYPE, JOBZ, UPLO, N, AP, BP, W, Z, LDZ, WORK, RWORK, INFO)

**ZHPGV**subroutine

**zhpgvd**(ITYPE, JOBZ, UPLO, N, AP, BP, W, Z, LDZ, WORK, LWORK, RWORK, LRWORK, IWORK, LIWORK, INFO)

**ZHPGVD**subroutine

**zhpgvx**(ITYPE, JOBZ, RANGE, UPLO, N, AP, BP, VL, VU, IL, IU, ABSTOL, M, W, Z, LDZ, WORK, RWORK, IWORK, IFAIL, INFO)

**ZHPGVX**

# Detailed Description¶

This is the group of complex16 Other Eigenvalue routines# Function Documentation¶

## subroutine zggglm (integer N, integer M, integer P, complex*16, dimension( lda, * ) A, integer LDA, complex*16, dimension( ldb, * ) B, integer LDB, complex*16, dimension( * ) D, complex*16, dimension( * ) X, complex*16, dimension( * ) Y, complex*16, dimension( * ) WORK, integer LWORK, integer INFO)¶

**ZGGGLM**

**Purpose:**

ZGGGLM solves a general Gauss-Markov linear model (GLM) problem: minimize || y ||_2 subject to d = A*x + B*y x where A is an N-by-M matrix, B is an N-by-P matrix, and d is a given N-vector. It is assumed that M <= N <= M+P, and rank(A) = M and rank( A B ) = N. Under these assumptions, the constrained equation is always consistent, and there is a unique solution x and a minimal 2-norm solution y, which is obtained using a generalized QR factorization of the matrices (A, B) given by A = Q*(R), B = Q*T*Z. (0) In particular, if matrix B is square nonsingular, then the problem GLM is equivalent to the following weighted linear least squares problem minimize || inv(B)*(d-A*x) ||_2 x where inv(B) denotes the inverse of B.

**Parameters**

*N*

N is INTEGER The number of rows of the matrices A and B. N >= 0.

*M*

M is INTEGER The number of columns of the matrix A. 0 <= M <= N.

*P*

P is INTEGER The number of columns of the matrix B. P >= N-M.

*A*

A is COMPLEX*16 array, dimension (LDA,M) On entry, the N-by-M matrix A. On exit, the upper triangular part of the array A contains the M-by-M upper triangular matrix R.

*LDA*

LDA is INTEGER The leading dimension of the array A. LDA >= max(1,N).

*B*

B is COMPLEX*16 array, dimension (LDB,P) On entry, the N-by-P matrix B. On exit, if N <= P, the upper triangle of the subarray B(1:N,P-N+1:P) contains the N-by-N upper triangular matrix T; if N > P, the elements on and above the (N-P)th subdiagonal contain the N-by-P upper trapezoidal matrix T.

*LDB*

LDB is INTEGER The leading dimension of the array B. LDB >= max(1,N).

*D*

D is COMPLEX*16 array, dimension (N) On entry, D is the left hand side of the GLM equation. On exit, D is destroyed.

*X*

X is COMPLEX*16 array, dimension (M)

*Y*

Y is COMPLEX*16 array, dimension (P) On exit, X and Y are the solutions of the GLM problem.

*WORK*

WORK is COMPLEX*16 array, dimension (MAX(1,LWORK)) On exit, if INFO = 0, WORK(1) returns the optimal LWORK.

*LWORK*

LWORK is INTEGER The dimension of the array WORK. LWORK >= max(1,N+M+P). For optimum performance, LWORK >= M+min(N,P)+max(N,P)*NB, where NB is an upper bound for the optimal blocksizes for ZGEQRF, ZGERQF, ZUNMQR and ZUNMRQ. If LWORK = -1, then a workspace query is assumed; the routine only calculates the optimal size of the WORK array, returns this value as the first entry of the WORK array, and no error message related to LWORK is issued by XERBLA.

*INFO*

INFO is INTEGER = 0: successful exit. < 0: if INFO = -i, the i-th argument had an illegal value. = 1: the upper triangular factor R associated with A in the generalized QR factorization of the pair (A, B) is singular, so that rank(A) < M; the least squares solution could not be computed. = 2: the bottom (N-M) by (N-M) part of the upper trapezoidal factor T associated with B in the generalized QR factorization of the pair (A, B) is singular, so that rank( A B ) < N; the least squares solution could not be computed.

**Author**

Univ. of California Berkeley

Univ. of Colorado Denver

NAG Ltd.

## subroutine zhbev (character JOBZ, character UPLO, integer N, integer KD, complex*16, dimension( ldab, * ) AB, integer LDAB, double precision, dimension( * ) W, complex*16, dimension( ldz, * ) Z, integer LDZ, complex*16, dimension( * ) WORK, double precision, dimension( * ) RWORK, integer INFO)¶

**ZHBEV computes the eigenvalues and, optionally, the left and/or right eigenvectors for OTHER matrices**

**Purpose:**

ZHBEV computes all the eigenvalues and, optionally, eigenvectors of a complex Hermitian band matrix A.

**Parameters**

*JOBZ*

JOBZ is CHARACTER*1 = 'N': Compute eigenvalues only; = 'V': Compute eigenvalues and eigenvectors.

*UPLO*

UPLO is CHARACTER*1 = 'U': Upper triangle of A is stored; = 'L': Lower triangle of A is stored.

*N*

N is INTEGER The order of the matrix A. N >= 0.

*KD*

KD is INTEGER The number of superdiagonals of the matrix A if UPLO = 'U', or the number of subdiagonals if UPLO = 'L'. KD >= 0.

*AB*

AB is COMPLEX*16 array, dimension (LDAB, N) On entry, the upper or lower triangle of the Hermitian band matrix A, stored in the first KD+1 rows of the array. The j-th column of A is stored in the j-th column of the array AB as follows: if UPLO = 'U', AB(kd+1+i-j,j) = A(i,j) for max(1,j-kd)<=i<=j; if UPLO = 'L', AB(1+i-j,j) = A(i,j) for j<=i<=min(n,j+kd). On exit, AB is overwritten by values generated during the reduction to tridiagonal form. If UPLO = 'U', the first superdiagonal and the diagonal of the tridiagonal matrix T are returned in rows KD and KD+1 of AB, and if UPLO = 'L', the diagonal and first subdiagonal of T are returned in the first two rows of AB.

*LDAB*

LDAB is INTEGER The leading dimension of the array AB. LDAB >= KD + 1.

*W*

W is DOUBLE PRECISION array, dimension (N) If INFO = 0, the eigenvalues in ascending order.

*Z*

Z is COMPLEX*16 array, dimension (LDZ, N) If JOBZ = 'V', then if INFO = 0, Z contains the orthonormal eigenvectors of the matrix A, with the i-th column of Z holding the eigenvector associated with W(i). If JOBZ = 'N', then Z is not referenced.

*LDZ*

LDZ is INTEGER The leading dimension of the array Z. LDZ >= 1, and if JOBZ = 'V', LDZ >= max(1,N).

*WORK*

WORK is COMPLEX*16 array, dimension (N)

*RWORK*

RWORK is DOUBLE PRECISION array, dimension (max(1,3*N-2))

*INFO*

INFO is INTEGER = 0: successful exit. < 0: if INFO = -i, the i-th argument had an illegal value. > 0: if INFO = i, the algorithm failed to converge; i off-diagonal elements of an intermediate tridiagonal form did not converge to zero.

**Author**

Univ. of California Berkeley

Univ. of Colorado Denver

NAG Ltd.

## subroutine zhbev_2stage (character JOBZ, character UPLO, integer N, integer KD, complex*16, dimension( ldab, * ) AB, integer LDAB, double precision, dimension( * ) W, complex*16, dimension( ldz, * ) Z, integer LDZ, complex*16, dimension( * ) WORK, integer LWORK, double precision, dimension( * ) RWORK, integer INFO)¶

**ZHBEV_2STAGE computes the eigenvalues and, optionally, the left and/or right eigenvectors for OTHER matrices**

**Purpose:**

ZHBEV_2STAGE computes all the eigenvalues and, optionally, eigenvectors of a complex Hermitian band matrix A using the 2stage technique for the reduction to tridiagonal.

**Parameters**

*JOBZ*

JOBZ is CHARACTER*1 = 'N': Compute eigenvalues only; = 'V': Compute eigenvalues and eigenvectors. Not available in this release.

*UPLO*

UPLO is CHARACTER*1 = 'U': Upper triangle of A is stored; = 'L': Lower triangle of A is stored.

*N*

N is INTEGER The order of the matrix A. N >= 0.

*KD*

KD is INTEGER The number of superdiagonals of the matrix A if UPLO = 'U', or the number of subdiagonals if UPLO = 'L'. KD >= 0.

*AB*

AB is COMPLEX*16 array, dimension (LDAB, N) On entry, the upper or lower triangle of the Hermitian band matrix A, stored in the first KD+1 rows of the array. The j-th column of A is stored in the j-th column of the array AB as follows: if UPLO = 'U', AB(kd+1+i-j,j) = A(i,j) for max(1,j-kd)<=i<=j; if UPLO = 'L', AB(1+i-j,j) = A(i,j) for j<=i<=min(n,j+kd). On exit, AB is overwritten by values generated during the reduction to tridiagonal form. If UPLO = 'U', the first superdiagonal and the diagonal of the tridiagonal matrix T are returned in rows KD and KD+1 of AB, and if UPLO = 'L', the diagonal and first subdiagonal of T are returned in the first two rows of AB.

*LDAB*

LDAB is INTEGER The leading dimension of the array AB. LDAB >= KD + 1.

*W*

W is DOUBLE PRECISION array, dimension (N) If INFO = 0, the eigenvalues in ascending order.

*Z*

Z is COMPLEX*16 array, dimension (LDZ, N) If JOBZ = 'V', then if INFO = 0, Z contains the orthonormal eigenvectors of the matrix A, with the i-th column of Z holding the eigenvector associated with W(i). If JOBZ = 'N', then Z is not referenced.

*LDZ*

LDZ is INTEGER The leading dimension of the array Z. LDZ >= 1, and if JOBZ = 'V', LDZ >= max(1,N).

*WORK*

WORK is COMPLEX*16 array, dimension LWORK On exit, if INFO = 0, WORK(1) returns the optimal LWORK.

*LWORK*

LWORK is INTEGER The length of the array WORK. LWORK >= 1, when N <= 1; otherwise If JOBZ = 'N' and N > 1, LWORK must be queried. LWORK = MAX(1, dimension) where dimension = (2KD+1)*N + KD*NTHREADS where KD is the size of the band. NTHREADS is the number of threads used when openMP compilation is enabled, otherwise =1. If JOBZ = 'V' and N > 1, LWORK must be queried. Not yet available. If LWORK = -1, then a workspace query is assumed; the routine only calculates the optimal sizes of the WORK, RWORK and IWORK arrays, returns these values as the first entries of the WORK, RWORK and IWORK arrays, and no error message related to LWORK or LRWORK or LIWORK is issued by XERBLA.

*RWORK*

RWORK is DOUBLE PRECISION array, dimension (max(1,3*N-2))

*INFO*

INFO is INTEGER = 0: successful exit. < 0: if INFO = -i, the i-th argument had an illegal value. > 0: if INFO = i, the algorithm failed to converge; i off-diagonal elements of an intermediate tridiagonal form did not converge to zero.

**Author**

Univ. of California Berkeley

Univ. of Colorado Denver

NAG Ltd.

**Further Details:**

All details about the 2stage techniques are available in: Azzam Haidar, Hatem Ltaief, and Jack Dongarra. Parallel reduction to condensed forms for symmetric eigenvalue problems using aggregated fine-grained and memory-aware kernels. In Proceedings of 2011 International Conference for High Performance Computing, Networking, Storage and Analysis (SC '11), New York, NY, USA, Article 8 , 11 pages. http://doi.acm.org/10.1145/2063384.2063394 A. Haidar, J. Kurzak, P. Luszczek, 2013. An improved parallel singular value algorithm and its implementation for multicore hardware, In Proceedings of 2013 International Conference for High Performance Computing, Networking, Storage and Analysis (SC '13). Denver, Colorado, USA, 2013. Article 90, 12 pages. http://doi.acm.org/10.1145/2503210.2503292 A. Haidar, R. Solca, S. Tomov, T. Schulthess and J. Dongarra. A novel hybrid CPU-GPU generalized eigensolver for electronic structure calculations based on fine-grained memory aware tasks. International Journal of High Performance Computing Applications. Volume 28 Issue 2, Pages 196-209, May 2014. http://hpc.sagepub.com/content/28/2/196

## subroutine zhbevd (character JOBZ, character UPLO, integer N, integer KD, complex*16, dimension( ldab, * ) AB, integer LDAB, double precision, dimension( * ) W, complex*16, dimension( ldz, * ) Z, integer LDZ, complex*16, dimension( * ) WORK, integer LWORK, double precision, dimension( * ) RWORK, integer LRWORK, integer, dimension( * ) IWORK, integer LIWORK, integer INFO)¶

**ZHBEVD computes the eigenvalues and, optionally, the left and/or right eigenvectors for OTHER matrices**

**Purpose:**

ZHBEVD computes all the eigenvalues and, optionally, eigenvectors of a complex Hermitian band matrix A. If eigenvectors are desired, it uses a divide and conquer algorithm. The divide and conquer algorithm makes very mild assumptions about floating point arithmetic. It will work on machines with a guard digit in add/subtract, or on those binary machines without guard digits which subtract like the Cray X-MP, Cray Y-MP, Cray C-90, or Cray-2. It could conceivably fail on hexadecimal or decimal machines without guard digits, but we know of none.

**Parameters**

*JOBZ*

JOBZ is CHARACTER*1 = 'N': Compute eigenvalues only; = 'V': Compute eigenvalues and eigenvectors.

*UPLO*

UPLO is CHARACTER*1 = 'U': Upper triangle of A is stored; = 'L': Lower triangle of A is stored.

*N*

N is INTEGER The order of the matrix A. N >= 0.

*KD*

KD is INTEGER The number of superdiagonals of the matrix A if UPLO = 'U', or the number of subdiagonals if UPLO = 'L'. KD >= 0.

*AB*

AB is COMPLEX*16 array, dimension (LDAB, N) On entry, the upper or lower triangle of the Hermitian band matrix A, stored in the first KD+1 rows of the array. The j-th column of A is stored in the j-th column of the array AB as follows: if UPLO = 'U', AB(kd+1+i-j,j) = A(i,j) for max(1,j-kd)<=i<=j; if UPLO = 'L', AB(1+i-j,j) = A(i,j) for j<=i<=min(n,j+kd). On exit, AB is overwritten by values generated during the reduction to tridiagonal form. If UPLO = 'U', the first superdiagonal and the diagonal of the tridiagonal matrix T are returned in rows KD and KD+1 of AB, and if UPLO = 'L', the diagonal and first subdiagonal of T are returned in the first two rows of AB.

*LDAB*

LDAB is INTEGER The leading dimension of the array AB. LDAB >= KD + 1.

*W*

W is DOUBLE PRECISION array, dimension (N) If INFO = 0, the eigenvalues in ascending order.

*Z*

Z is COMPLEX*16 array, dimension (LDZ, N) If JOBZ = 'V', then if INFO = 0, Z contains the orthonormal eigenvectors of the matrix A, with the i-th column of Z holding the eigenvector associated with W(i). If JOBZ = 'N', then Z is not referenced.

*LDZ*

LDZ is INTEGER The leading dimension of the array Z. LDZ >= 1, and if JOBZ = 'V', LDZ >= max(1,N).

*WORK*

WORK is COMPLEX*16 array, dimension (MAX(1,LWORK)) On exit, if INFO = 0, WORK(1) returns the optimal LWORK.

*LWORK*

LWORK is INTEGER The dimension of the array WORK. If N <= 1, LWORK must be at least 1. If JOBZ = 'N' and N > 1, LWORK must be at least N. If JOBZ = 'V' and N > 1, LWORK must be at least 2*N**2. If LWORK = -1, then a workspace query is assumed; the routine only calculates the optimal sizes of the WORK, RWORK and IWORK arrays, returns these values as the first entries of the WORK, RWORK and IWORK arrays, and no error message related to LWORK or LRWORK or LIWORK is issued by XERBLA.

*RWORK*

RWORK is DOUBLE PRECISION array, dimension (LRWORK) On exit, if INFO = 0, RWORK(1) returns the optimal LRWORK.

*LRWORK*

LRWORK is INTEGER The dimension of array RWORK. If N <= 1, LRWORK must be at least 1. If JOBZ = 'N' and N > 1, LRWORK must be at least N. If JOBZ = 'V' and N > 1, LRWORK must be at least 1 + 5*N + 2*N**2. If LRWORK = -1, then a workspace query is assumed; the routine only calculates the optimal sizes of the WORK, RWORK and IWORK arrays, returns these values as the first entries of the WORK, RWORK and IWORK arrays, and no error message related to LWORK or LRWORK or LIWORK is issued by XERBLA.

*IWORK*

IWORK is INTEGER array, dimension (MAX(1,LIWORK)) On exit, if INFO = 0, IWORK(1) returns the optimal LIWORK.

*LIWORK*

LIWORK is INTEGER The dimension of array IWORK. If JOBZ = 'N' or N <= 1, LIWORK must be at least 1. If JOBZ = 'V' and N > 1, LIWORK must be at least 3 + 5*N . If LIWORK = -1, then a workspace query is assumed; the routine only calculates the optimal sizes of the WORK, RWORK and IWORK arrays, returns these values as the first entries of the WORK, RWORK and IWORK arrays, and no error message related to LWORK or LRWORK or LIWORK is issued by XERBLA.

*INFO*

INFO is INTEGER = 0: successful exit. < 0: if INFO = -i, the i-th argument had an illegal value. > 0: if INFO = i, the algorithm failed to converge; i off-diagonal elements of an intermediate tridiagonal form did not converge to zero.

**Author**

Univ. of California Berkeley

Univ. of Colorado Denver

NAG Ltd.

## subroutine zhbevd_2stage (character JOBZ, character UPLO, integer N, integer KD, complex*16, dimension( ldab, * ) AB, integer LDAB, double precision, dimension( * ) W, complex*16, dimension( ldz, * ) Z, integer LDZ, complex*16, dimension( * ) WORK, integer LWORK, double precision, dimension( * ) RWORK, integer LRWORK, integer, dimension( * ) IWORK, integer LIWORK, integer INFO)¶

**ZHBEVD_2STAGE computes the eigenvalues and, optionally, the left and/or right eigenvectors for OTHER matrices**

**Purpose:**

ZHBEVD_2STAGE computes all the eigenvalues and, optionally, eigenvectors of a complex Hermitian band matrix A using the 2stage technique for the reduction to tridiagonal. If eigenvectors are desired, it uses a divide and conquer algorithm. The divide and conquer algorithm makes very mild assumptions about floating point arithmetic. It will work on machines with a guard digit in add/subtract, or on those binary machines without guard digits which subtract like the Cray X-MP, Cray Y-MP, Cray C-90, or Cray-2. It could conceivably fail on hexadecimal or decimal machines without guard digits, but we know of none.

**Parameters**

*JOBZ*

JOBZ is CHARACTER*1 = 'N': Compute eigenvalues only; = 'V': Compute eigenvalues and eigenvectors. Not available in this release.

*UPLO*

UPLO is CHARACTER*1 = 'U': Upper triangle of A is stored; = 'L': Lower triangle of A is stored.

*N*

N is INTEGER The order of the matrix A. N >= 0.

*KD*

*AB*

*LDAB*

LDAB is INTEGER The leading dimension of the array AB. LDAB >= KD + 1.

*W*

W is DOUBLE PRECISION array, dimension (N) If INFO = 0, the eigenvalues in ascending order.

*Z*

*LDZ*

LDZ is INTEGER The leading dimension of the array Z. LDZ >= 1, and if JOBZ = 'V', LDZ >= max(1,N).

*WORK*

WORK is COMPLEX*16 array, dimension (MAX(1,LWORK)) On exit, if INFO = 0, WORK(1) returns the optimal LWORK.

*LWORK*

LWORK is INTEGER The length of the array WORK. LWORK >= 1, when N <= 1; otherwise If JOBZ = 'N' and N > 1, LWORK must be queried. LWORK = MAX(1, dimension) where dimension = (2KD+1)*N + KD*NTHREADS where KD is the size of the band. NTHREADS is the number of threads used when openMP compilation is enabled, otherwise =1. If JOBZ = 'V' and N > 1, LWORK must be queried. Not yet available. If LWORK = -1, then a workspace query is assumed; the routine only calculates the optimal sizes of the WORK, RWORK and IWORK arrays, returns these values as the first entries of the WORK, RWORK and IWORK arrays, and no error message related to LWORK or LRWORK or LIWORK is issued by XERBLA.

*RWORK*

RWORK is DOUBLE PRECISION array, dimension (LRWORK) On exit, if INFO = 0, RWORK(1) returns the optimal LRWORK.

*LRWORK*

LRWORK is INTEGER The dimension of array RWORK. If N <= 1, LRWORK must be at least 1. If JOBZ = 'N' and N > 1, LRWORK must be at least N. If JOBZ = 'V' and N > 1, LRWORK must be at least 1 + 5*N + 2*N**2. If LRWORK = -1, then a workspace query is assumed; the routine only calculates the optimal sizes of the WORK, RWORK and IWORK arrays, returns these values as the first entries of the WORK, RWORK and IWORK arrays, and no error message related to LWORK or LRWORK or LIWORK is issued by XERBLA.

*IWORK*

IWORK is INTEGER array, dimension (MAX(1,LIWORK)) On exit, if INFO = 0, IWORK(1) returns the optimal LIWORK.

*LIWORK*

LIWORK is INTEGER The dimension of array IWORK. If JOBZ = 'N' or N <= 1, LIWORK must be at least 1. If JOBZ = 'V' and N > 1, LIWORK must be at least 3 + 5*N . If LIWORK = -1, then a workspace query is assumed; the routine only calculates the optimal sizes of the WORK, RWORK and IWORK arrays, returns these values as the first entries of the WORK, RWORK and IWORK arrays, and no error message related to LWORK or LRWORK or LIWORK is issued by XERBLA.

*INFO*

**Author**

Univ. of California Berkeley

Univ. of Colorado Denver

NAG Ltd.

**Further Details:**

All details about the 2stage techniques are available in: Azzam Haidar, Hatem Ltaief, and Jack Dongarra. Parallel reduction to condensed forms for symmetric eigenvalue problems using aggregated fine-grained and memory-aware kernels. In Proceedings of 2011 International Conference for High Performance Computing, Networking, Storage and Analysis (SC '11), New York, NY, USA, Article 8 , 11 pages. http://doi.acm.org/10.1145/2063384.2063394 A. Haidar, J. Kurzak, P. Luszczek, 2013. An improved parallel singular value algorithm and its implementation for multicore hardware, In Proceedings of 2013 International Conference for High Performance Computing, Networking, Storage and Analysis (SC '13). Denver, Colorado, USA, 2013. Article 90, 12 pages. http://doi.acm.org/10.1145/2503210.2503292 A. Haidar, R. Solca, S. Tomov, T. Schulthess and J. Dongarra. A novel hybrid CPU-GPU generalized eigensolver for electronic structure calculations based on fine-grained memory aware tasks. International Journal of High Performance Computing Applications. Volume 28 Issue 2, Pages 196-209, May 2014. http://hpc.sagepub.com/content/28/2/196

## subroutine zhbevx (character JOBZ, character RANGE, character UPLO, integer N, integer KD, complex*16, dimension( ldab, * ) AB, integer LDAB, complex*16, dimension( ldq, * ) Q, integer LDQ, double precision VL, double precision VU, integer IL, integer IU, double precision ABSTOL, integer M, double precision, dimension( * ) W, complex*16, dimension( ldz, * ) Z, integer LDZ, complex*16, dimension( * ) WORK, double precision, dimension( * ) RWORK, integer, dimension( * ) IWORK, integer, dimension( * ) IFAIL, integer INFO)¶

**ZHBEVX computes the eigenvalues and, optionally, the left and/or right eigenvectors for OTHER matrices**

**Purpose:**

ZHBEVX computes selected eigenvalues and, optionally, eigenvectors of a complex Hermitian band matrix A. Eigenvalues and eigenvectors can be selected by specifying either a range of values or a range of indices for the desired eigenvalues.

**Parameters**

*JOBZ*

JOBZ is CHARACTER*1 = 'N': Compute eigenvalues only; = 'V': Compute eigenvalues and eigenvectors.

*RANGE*

RANGE is CHARACTER*1 = 'A': all eigenvalues will be found; = 'V': all eigenvalues in the half-open interval (VL,VU] will be found; = 'I': the IL-th through IU-th eigenvalues will be found.

*UPLO*

UPLO is CHARACTER*1 = 'U': Upper triangle of A is stored; = 'L': Lower triangle of A is stored.

*N*

N is INTEGER The order of the matrix A. N >= 0.

*KD*

*AB*

AB is COMPLEX*16 array, dimension (LDAB, N) On entry, the upper or lower triangle of the Hermitian band matrix A, stored in the first KD+1 rows of the array. The j-th column of A is stored in the j-th column of the array AB as follows: if UPLO = 'U', AB(kd+1+i-j,j) = A(i,j) for max(1,j-kd)<=i<=j; if UPLO = 'L', AB(1+i-j,j) = A(i,j) for j<=i<=min(n,j+kd). On exit, AB is overwritten by values generated during the reduction to tridiagonal form.

*LDAB*

LDAB is INTEGER The leading dimension of the array AB. LDAB >= KD + 1.

*Q*

Q is COMPLEX*16 array, dimension (LDQ, N) If JOBZ = 'V', the N-by-N unitary matrix used in the reduction to tridiagonal form. If JOBZ = 'N', the array Q is not referenced.

*LDQ*

LDQ is INTEGER The leading dimension of the array Q. If JOBZ = 'V', then LDQ >= max(1,N).

*VL*

VL is DOUBLE PRECISION If RANGE='V', the lower bound of the interval to be searched for eigenvalues. VL < VU. Not referenced if RANGE = 'A' or 'I'.

*VU*

VU is DOUBLE PRECISION If RANGE='V', the upper bound of the interval to be searched for eigenvalues. VL < VU. Not referenced if RANGE = 'A' or 'I'.

*IL*

IL is INTEGER If RANGE='I', the index of the smallest eigenvalue to be returned. 1 <= IL <= IU <= N, if N > 0; IL = 1 and IU = 0 if N = 0. Not referenced if RANGE = 'A' or 'V'.

*IU*

IU is INTEGER If RANGE='I', the index of the largest eigenvalue to be returned. 1 <= IL <= IU <= N, if N > 0; IL = 1 and IU = 0 if N = 0. Not referenced if RANGE = 'A' or 'V'.

*ABSTOL*

ABSTOL is DOUBLE PRECISION The absolute error tolerance for the eigenvalues. An approximate eigenvalue is accepted as converged when it is determined to lie in an interval [a,b] of width less than or equal to ABSTOL + EPS * max( |a|,|b| ) , where EPS is the machine precision. If ABSTOL is less than or equal to zero, then EPS*|T| will be used in its place, where |T| is the 1-norm of the tridiagonal matrix obtained by reducing AB to tridiagonal form. Eigenvalues will be computed most accurately when ABSTOL is set to twice the underflow threshold 2*DLAMCH('S'), not zero. If this routine returns with INFO>0, indicating that some eigenvectors did not converge, try setting ABSTOL to 2*DLAMCH('S'). See "Computing Small Singular Values of Bidiagonal Matrices with Guaranteed High Relative Accuracy," by Demmel and Kahan, LAPACK Working Note #3.

*M*

M is INTEGER The total number of eigenvalues found. 0 <= M <= N. If RANGE = 'A', M = N, and if RANGE = 'I', M = IU-IL+1.

*W*

W is DOUBLE PRECISION array, dimension (N) The first M elements contain the selected eigenvalues in ascending order.

*Z*

Z is COMPLEX*16 array, dimension (LDZ, max(1,M)) If JOBZ = 'V', then if INFO = 0, the first M columns of Z contain the orthonormal eigenvectors of the matrix A corresponding to the selected eigenvalues, with the i-th column of Z holding the eigenvector associated with W(i). If an eigenvector fails to converge, then that column of Z contains the latest approximation to the eigenvector, and the index of the eigenvector is returned in IFAIL. If JOBZ = 'N', then Z is not referenced. Note: the user must ensure that at least max(1,M) columns are supplied in the array Z; if RANGE = 'V', the exact value of M is not known in advance and an upper bound must be used.

*LDZ*

LDZ is INTEGER The leading dimension of the array Z. LDZ >= 1, and if JOBZ = 'V', LDZ >= max(1,N).

*WORK*

WORK is COMPLEX*16 array, dimension (N)

*RWORK*

RWORK is DOUBLE PRECISION array, dimension (7*N)

*IWORK*

IWORK is INTEGER array, dimension (5*N)

*IFAIL*

IFAIL is INTEGER array, dimension (N) If JOBZ = 'V', then if INFO = 0, the first M elements of IFAIL are zero. If INFO > 0, then IFAIL contains the indices of the eigenvectors that failed to converge. If JOBZ = 'N', then IFAIL is not referenced.

*INFO*

INFO is INTEGER = 0: successful exit < 0: if INFO = -i, the i-th argument had an illegal value > 0: if INFO = i, then i eigenvectors failed to converge. Their indices are stored in array IFAIL.

**Author**

Univ. of California Berkeley

Univ. of Colorado Denver

NAG Ltd.

## subroutine zhbevx_2stage (character JOBZ, character RANGE, character UPLO, integer N, integer KD, complex*16, dimension( ldab, * ) AB, integer LDAB, complex*16, dimension( ldq, * ) Q, integer LDQ, double precision VL, double precision VU, integer IL, integer IU, double precision ABSTOL, integer M, double precision, dimension( * ) W, complex*16, dimension( ldz, * ) Z, integer LDZ, complex*16, dimension( * ) WORK, integer LWORK, double precision, dimension( * ) RWORK, integer, dimension( * ) IWORK, integer, dimension( * ) IFAIL, integer INFO)¶

**ZHBEVX_2STAGE computes the eigenvalues and, optionally, the left and/or right eigenvectors for OTHER matrices**

**Purpose:**

ZHBEVX_2STAGE computes selected eigenvalues and, optionally, eigenvectors of a complex Hermitian band matrix A using the 2stage technique for the reduction to tridiagonal. Eigenvalues and eigenvectors can be selected by specifying either a range of values or a range of indices for the desired eigenvalues.

**Parameters**

*JOBZ*

JOBZ is CHARACTER*1 = 'N': Compute eigenvalues only; = 'V': Compute eigenvalues and eigenvectors. Not available in this release.

*RANGE*

RANGE is CHARACTER*1 = 'A': all eigenvalues will be found; = 'V': all eigenvalues in the half-open interval (VL,VU] will be found; = 'I': the IL-th through IU-th eigenvalues will be found.

*UPLO*

UPLO is CHARACTER*1 = 'U': Upper triangle of A is stored; = 'L': Lower triangle of A is stored.

*N*

N is INTEGER The order of the matrix A. N >= 0.

*KD*

*AB*

AB is COMPLEX*16 array, dimension (LDAB, N) On entry, the upper or lower triangle of the Hermitian band matrix A, stored in the first KD+1 rows of the array. The j-th column of A is stored in the j-th column of the array AB as follows: if UPLO = 'U', AB(kd+1+i-j,j) = A(i,j) for max(1,j-kd)<=i<=j; if UPLO = 'L', AB(1+i-j,j) = A(i,j) for j<=i<=min(n,j+kd). On exit, AB is overwritten by values generated during the reduction to tridiagonal form.

*LDAB*

LDAB is INTEGER The leading dimension of the array AB. LDAB >= KD + 1.

*Q*

Q is COMPLEX*16 array, dimension (LDQ, N) If JOBZ = 'V', the N-by-N unitary matrix used in the reduction to tridiagonal form. If JOBZ = 'N', the array Q is not referenced.

*LDQ*

LDQ is INTEGER The leading dimension of the array Q. If JOBZ = 'V', then LDQ >= max(1,N).

*VL*

VL is DOUBLE PRECISION If RANGE='V', the lower bound of the interval to be searched for eigenvalues. VL < VU. Not referenced if RANGE = 'A' or 'I'.

*VU*

VU is DOUBLE PRECISION If RANGE='V', the upper bound of the interval to be searched for eigenvalues. VL < VU. Not referenced if RANGE = 'A' or 'I'.

*IL*

IL is INTEGER If RANGE='I', the index of the smallest eigenvalue to be returned. 1 <= IL <= IU <= N, if N > 0; IL = 1 and IU = 0 if N = 0. Not referenced if RANGE = 'A' or 'V'.

*IU*

IU is INTEGER If RANGE='I', the index of the largest eigenvalue to be returned. 1 <= IL <= IU <= N, if N > 0; IL = 1 and IU = 0 if N = 0. Not referenced if RANGE = 'A' or 'V'.

*ABSTOL*

ABSTOL is DOUBLE PRECISION The absolute error tolerance for the eigenvalues. An approximate eigenvalue is accepted as converged when it is determined to lie in an interval [a,b] of width less than or equal to ABSTOL + EPS * max( |a|,|b| ) , where EPS is the machine precision. If ABSTOL is less than or equal to zero, then EPS*|T| will be used in its place, where |T| is the 1-norm of the tridiagonal matrix obtained by reducing AB to tridiagonal form. Eigenvalues will be computed most accurately when ABSTOL is set to twice the underflow threshold 2*DLAMCH('S'), not zero. If this routine returns with INFO>0, indicating that some eigenvectors did not converge, try setting ABSTOL to 2*DLAMCH('S'). See "Computing Small Singular Values of Bidiagonal Matrices with Guaranteed High Relative Accuracy," by Demmel and Kahan, LAPACK Working Note #3.

*M*

M is INTEGER The total number of eigenvalues found. 0 <= M <= N. If RANGE = 'A', M = N, and if RANGE = 'I', M = IU-IL+1.

*W*

W is DOUBLE PRECISION array, dimension (N) The first M elements contain the selected eigenvalues in ascending order.

*Z*

Z is COMPLEX*16 array, dimension (LDZ, max(1,M)) If JOBZ = 'V', then if INFO = 0, the first M columns of Z contain the orthonormal eigenvectors of the matrix A corresponding to the selected eigenvalues, with the i-th column of Z holding the eigenvector associated with W(i). If an eigenvector fails to converge, then that column of Z contains the latest approximation to the eigenvector, and the index of the eigenvector is returned in IFAIL. If JOBZ = 'N', then Z is not referenced. Note: the user must ensure that at least max(1,M) columns are supplied in the array Z; if RANGE = 'V', the exact value of M is not known in advance and an upper bound must be used.

*LDZ*

LDZ is INTEGER The leading dimension of the array Z. LDZ >= 1, and if JOBZ = 'V', LDZ >= max(1,N).

*WORK*

WORK is COMPLEX*16 array, dimension (LWORK)

*LWORK*

LWORK is INTEGER The length of the array WORK. LWORK >= 1, when N <= 1; otherwise If JOBZ = 'N' and N > 1, LWORK must be queried. LWORK = MAX(1, dimension) where dimension = (2KD+1)*N + KD*NTHREADS where KD is the size of the band. NTHREADS is the number of threads used when openMP compilation is enabled, otherwise =1. If JOBZ = 'V' and N > 1, LWORK must be queried. Not yet available. If LWORK = -1, then a workspace query is assumed; the routine only calculates the optimal sizes of the WORK, RWORK and IWORK arrays, returns these values as the first entries of the WORK, RWORK and IWORK arrays, and no error message related to LWORK or LRWORK or LIWORK is issued by XERBLA.

*RWORK*

RWORK is DOUBLE PRECISION array, dimension (7*N)

*IWORK*

IWORK is INTEGER array, dimension (5*N)

*IFAIL*

IFAIL is INTEGER array, dimension (N) If JOBZ = 'V', then if INFO = 0, the first M elements of IFAIL are zero. If INFO > 0, then IFAIL contains the indices of the eigenvectors that failed to converge. If JOBZ = 'N', then IFAIL is not referenced.

*INFO*

INFO is INTEGER = 0: successful exit < 0: if INFO = -i, the i-th argument had an illegal value > 0: if INFO = i, then i eigenvectors failed to converge. Their indices are stored in array IFAIL.

**Author**

Univ. of California Berkeley

Univ. of Colorado Denver

NAG Ltd.

**Further Details:**

All details about the 2stage techniques are available in: Azzam Haidar, Hatem Ltaief, and Jack Dongarra. Parallel reduction to condensed forms for symmetric eigenvalue problems using aggregated fine-grained and memory-aware kernels. In Proceedings of 2011 International Conference for High Performance Computing, Networking, Storage and Analysis (SC '11), New York, NY, USA, Article 8 , 11 pages. http://doi.acm.org/10.1145/2063384.2063394 A. Haidar, J. Kurzak, P. Luszczek, 2013. An improved parallel singular value algorithm and its implementation for multicore hardware, In Proceedings of 2013 International Conference for High Performance Computing, Networking, Storage and Analysis (SC '13). Denver, Colorado, USA, 2013. Article 90, 12 pages. http://doi.acm.org/10.1145/2503210.2503292 A. Haidar, R. Solca, S. Tomov, T. Schulthess and J. Dongarra. A novel hybrid CPU-GPU generalized eigensolver for electronic structure calculations based on fine-grained memory aware tasks. International Journal of High Performance Computing Applications. Volume 28 Issue 2, Pages 196-209, May 2014. http://hpc.sagepub.com/content/28/2/196

## subroutine zhbgv (character JOBZ, character UPLO, integer N, integer KA, integer KB, complex*16, dimension( ldab, * ) AB, integer LDAB, complex*16, dimension( ldbb, * ) BB, integer LDBB, double precision, dimension( * ) W, complex*16, dimension( ldz, * ) Z, integer LDZ, complex*16, dimension( * ) WORK, double precision, dimension( * ) RWORK, integer INFO)¶

**ZHBGV**

**Purpose:**

ZHBGV computes all the eigenvalues, and optionally, the eigenvectors of a complex generalized Hermitian-definite banded eigenproblem, of the form A*x=(lambda)*B*x. Here A and B are assumed to be Hermitian and banded, and B is also positive definite.

**Parameters**

*JOBZ*

JOBZ is CHARACTER*1 = 'N': Compute eigenvalues only; = 'V': Compute eigenvalues and eigenvectors.

*UPLO*

UPLO is CHARACTER*1 = 'U': Upper triangles of A and B are stored; = 'L': Lower triangles of A and B are stored.

*N*

N is INTEGER The order of the matrices A and B. N >= 0.

*KA*

KA is INTEGER The number of superdiagonals of the matrix A if UPLO = 'U', or the number of subdiagonals if UPLO = 'L'. KA >= 0.

*KB*

KB is INTEGER The number of superdiagonals of the matrix B if UPLO = 'U', or the number of subdiagonals if UPLO = 'L'. KB >= 0.

*AB*

AB is COMPLEX*16 array, dimension (LDAB, N) On entry, the upper or lower triangle of the Hermitian band matrix A, stored in the first ka+1 rows of the array. The j-th column of A is stored in the j-th column of the array AB as follows: if UPLO = 'U', AB(ka+1+i-j,j) = A(i,j) for max(1,j-ka)<=i<=j; if UPLO = 'L', AB(1+i-j,j) = A(i,j) for j<=i<=min(n,j+ka). On exit, the contents of AB are destroyed.

*LDAB*

LDAB is INTEGER The leading dimension of the array AB. LDAB >= KA+1.

*BB*

BB is COMPLEX*16 array, dimension (LDBB, N) On entry, the upper or lower triangle of the Hermitian band matrix B, stored in the first kb+1 rows of the array. The j-th column of B is stored in the j-th column of the array BB as follows: if UPLO = 'U', BB(kb+1+i-j,j) = B(i,j) for max(1,j-kb)<=i<=j; if UPLO = 'L', BB(1+i-j,j) = B(i,j) for j<=i<=min(n,j+kb). On exit, the factor S from the split Cholesky factorization B = S**H*S, as returned by ZPBSTF.

*LDBB*

LDBB is INTEGER The leading dimension of the array BB. LDBB >= KB+1.

*W*

W is DOUBLE PRECISION array, dimension (N) If INFO = 0, the eigenvalues in ascending order.

*Z*

Z is COMPLEX*16 array, dimension (LDZ, N) If JOBZ = 'V', then if INFO = 0, Z contains the matrix Z of eigenvectors, with the i-th column of Z holding the eigenvector associated with W(i). The eigenvectors are normalized so that Z**H*B*Z = I. If JOBZ = 'N', then Z is not referenced.

*LDZ*

LDZ is INTEGER The leading dimension of the array Z. LDZ >= 1, and if JOBZ = 'V', LDZ >= N.

*WORK*

WORK is COMPLEX*16 array, dimension (N)

*RWORK*

RWORK is DOUBLE PRECISION array, dimension (3*N)

*INFO*

INFO is INTEGER = 0: successful exit < 0: if INFO = -i, the i-th argument had an illegal value > 0: if INFO = i, and i is: <= N: the algorithm failed to converge: i off-diagonal elements of an intermediate tridiagonal form did not converge to zero; > N: if INFO = N + i, for 1 <= i <= N, then ZPBSTF returned INFO = i: B is not positive definite. The factorization of B could not be completed and no eigenvalues or eigenvectors were computed.

**Author**

Univ. of California Berkeley

Univ. of Colorado Denver

NAG Ltd.

## subroutine zhbgvd (character JOBZ, character UPLO, integer N, integer KA, integer KB, complex*16, dimension( ldab, * ) AB, integer LDAB, complex*16, dimension( ldbb, * ) BB, integer LDBB, double precision, dimension( * ) W, complex*16, dimension( ldz, * ) Z, integer LDZ, complex*16, dimension( * ) WORK, integer LWORK, double precision, dimension( * ) RWORK, integer LRWORK, integer, dimension( * ) IWORK, integer LIWORK, integer INFO)¶

**ZHBGVD**

**Purpose:**

ZHBGVD computes all the eigenvalues, and optionally, the eigenvectors of a complex generalized Hermitian-definite banded eigenproblem, of the form A*x=(lambda)*B*x. Here A and B are assumed to be Hermitian and banded, and B is also positive definite. If eigenvectors are desired, it uses a divide and conquer algorithm. The divide and conquer algorithm makes very mild assumptions about floating point arithmetic. It will work on machines with a guard digit in add/subtract, or on those binary machines without guard digits which subtract like the Cray X-MP, Cray Y-MP, Cray C-90, or Cray-2. It could conceivably fail on hexadecimal or decimal machines without guard digits, but we know of none.

**Parameters**

*JOBZ*

JOBZ is CHARACTER*1 = 'N': Compute eigenvalues only; = 'V': Compute eigenvalues and eigenvectors.

*UPLO*

UPLO is CHARACTER*1 = 'U': Upper triangles of A and B are stored; = 'L': Lower triangles of A and B are stored.

*N*

N is INTEGER The order of the matrices A and B. N >= 0.

*KA*

KA is INTEGER The number of superdiagonals of the matrix A if UPLO = 'U', or the number of subdiagonals if UPLO = 'L'. KA >= 0.

*KB*

KB is INTEGER The number of superdiagonals of the matrix B if UPLO = 'U', or the number of subdiagonals if UPLO = 'L'. KB >= 0.

*AB*

AB is COMPLEX*16 array, dimension (LDAB, N) On entry, the upper or lower triangle of the Hermitian band matrix A, stored in the first ka+1 rows of the array. The j-th column of A is stored in the j-th column of the array AB as follows: if UPLO = 'U', AB(ka+1+i-j,j) = A(i,j) for max(1,j-ka)<=i<=j; if UPLO = 'L', AB(1+i-j,j) = A(i,j) for j<=i<=min(n,j+ka). On exit, the contents of AB are destroyed.

*LDAB*

LDAB is INTEGER The leading dimension of the array AB. LDAB >= KA+1.

*BB*

BB is COMPLEX*16 array, dimension (LDBB, N) On entry, the upper or lower triangle of the Hermitian band matrix B, stored in the first kb+1 rows of the array. The j-th column of B is stored in the j-th column of the array BB as follows: if UPLO = 'U', BB(kb+1+i-j,j) = B(i,j) for max(1,j-kb)<=i<=j; if UPLO = 'L', BB(1+i-j,j) = B(i,j) for j<=i<=min(n,j+kb). On exit, the factor S from the split Cholesky factorization B = S**H*S, as returned by ZPBSTF.

*LDBB*

LDBB is INTEGER The leading dimension of the array BB. LDBB >= KB+1.

*W*

W is DOUBLE PRECISION array, dimension (N) If INFO = 0, the eigenvalues in ascending order.

*Z*

Z is COMPLEX*16 array, dimension (LDZ, N) If JOBZ = 'V', then if INFO = 0, Z contains the matrix Z of eigenvectors, with the i-th column of Z holding the eigenvector associated with W(i). The eigenvectors are normalized so that Z**H*B*Z = I. If JOBZ = 'N', then Z is not referenced.

*LDZ*

LDZ is INTEGER The leading dimension of the array Z. LDZ >= 1, and if JOBZ = 'V', LDZ >= N.

*WORK*

WORK is COMPLEX*16 array, dimension (MAX(1,LWORK)) On exit, if INFO=0, WORK(1) returns the optimal LWORK.

*LWORK*

LWORK is INTEGER The dimension of the array WORK. If N <= 1, LWORK >= 1. If JOBZ = 'N' and N > 1, LWORK >= N. If JOBZ = 'V' and N > 1, LWORK >= 2*N**2. If LWORK = -1, then a workspace query is assumed; the routine only calculates the optimal sizes of the WORK, RWORK and IWORK arrays, returns these values as the first entries of the WORK, RWORK and IWORK arrays, and no error message related to LWORK or LRWORK or LIWORK is issued by XERBLA.

*RWORK*

RWORK is DOUBLE PRECISION array, dimension (MAX(1,LRWORK)) On exit, if INFO=0, RWORK(1) returns the optimal LRWORK.

*LRWORK*

LRWORK is INTEGER The dimension of array RWORK. If N <= 1, LRWORK >= 1. If JOBZ = 'N' and N > 1, LRWORK >= N. If JOBZ = 'V' and N > 1, LRWORK >= 1 + 5*N + 2*N**2. If LRWORK = -1, then a workspace query is assumed; the routine only calculates the optimal sizes of the WORK, RWORK and IWORK arrays, returns these values as the first entries of the WORK, RWORK and IWORK arrays, and no error message related to LWORK or LRWORK or LIWORK is issued by XERBLA.

*IWORK*

IWORK is INTEGER array, dimension (MAX(1,LIWORK)) On exit, if INFO=0, IWORK(1) returns the optimal LIWORK.

*LIWORK*

LIWORK is INTEGER The dimension of array IWORK. If JOBZ = 'N' or N <= 1, LIWORK >= 1. If JOBZ = 'V' and N > 1, LIWORK >= 3 + 5*N. If LIWORK = -1, then a workspace query is assumed; the routine only calculates the optimal sizes of the WORK, RWORK and IWORK arrays, returns these values as the first entries of the WORK, RWORK and IWORK arrays, and no error message related to LWORK or LRWORK or LIWORK is issued by XERBLA.

*INFO*

INFO is INTEGER = 0: successful exit < 0: if INFO = -i, the i-th argument had an illegal value > 0: if INFO = i, and i is: <= N: the algorithm failed to converge: i off-diagonal elements of an intermediate tridiagonal form did not converge to zero; > N: if INFO = N + i, for 1 <= i <= N, then ZPBSTF returned INFO = i: B is not positive definite. The factorization of B could not be completed and no eigenvalues or eigenvectors were computed.

**Author**

Univ. of California Berkeley

Univ. of Colorado Denver

NAG Ltd.

**Contributors:**

## subroutine zhbgvx (character JOBZ, character RANGE, character UPLO, integer N, integer KA, integer KB, complex*16, dimension( ldab, * ) AB, integer LDAB, complex*16, dimension( ldbb, * ) BB, integer LDBB, complex*16, dimension( ldq, * ) Q, integer LDQ, double precision VL, double precision VU, integer IL, integer IU, double precision ABSTOL, integer M, double precision, dimension( * ) W, complex*16, dimension( ldz, * ) Z, integer LDZ, complex*16, dimension( * ) WORK, double precision, dimension( * ) RWORK, integer, dimension( * ) IWORK, integer, dimension( * ) IFAIL, integer INFO)¶

**ZHBGVX**

**Purpose:**

ZHBGVX computes all the eigenvalues, and optionally, the eigenvectors of a complex generalized Hermitian-definite banded eigenproblem, of the form A*x=(lambda)*B*x. Here A and B are assumed to be Hermitian and banded, and B is also positive definite. Eigenvalues and eigenvectors can be selected by specifying either all eigenvalues, a range of values or a range of indices for the desired eigenvalues.

**Parameters**

*JOBZ*

JOBZ is CHARACTER*1 = 'N': Compute eigenvalues only; = 'V': Compute eigenvalues and eigenvectors.

*RANGE*

RANGE is CHARACTER*1 = 'A': all eigenvalues will be found; = 'V': all eigenvalues in the half-open interval (VL,VU] will be found; = 'I': the IL-th through IU-th eigenvalues will be found.

*UPLO*

UPLO is CHARACTER*1 = 'U': Upper triangles of A and B are stored; = 'L': Lower triangles of A and B are stored.

*N*

N is INTEGER The order of the matrices A and B. N >= 0.

*KA*

KA is INTEGER The number of superdiagonals of the matrix A if UPLO = 'U', or the number of subdiagonals if UPLO = 'L'. KA >= 0.

*KB*

KB is INTEGER The number of superdiagonals of the matrix B if UPLO = 'U', or the number of subdiagonals if UPLO = 'L'. KB >= 0.

*AB*

AB is COMPLEX*16 array, dimension (LDAB, N) On entry, the upper or lower triangle of the Hermitian band matrix A, stored in the first ka+1 rows of the array. The j-th column of A is stored in the j-th column of the array AB as follows: if UPLO = 'U', AB(ka+1+i-j,j) = A(i,j) for max(1,j-ka)<=i<=j; if UPLO = 'L', AB(1+i-j,j) = A(i,j) for j<=i<=min(n,j+ka). On exit, the contents of AB are destroyed.

*LDAB*

LDAB is INTEGER The leading dimension of the array AB. LDAB >= KA+1.

*BB*

BB is COMPLEX*16 array, dimension (LDBB, N) On entry, the upper or lower triangle of the Hermitian band matrix B, stored in the first kb+1 rows of the array. The j-th column of B is stored in the j-th column of the array BB as follows: if UPLO = 'U', BB(kb+1+i-j,j) = B(i,j) for max(1,j-kb)<=i<=j; if UPLO = 'L', BB(1+i-j,j) = B(i,j) for j<=i<=min(n,j+kb). On exit, the factor S from the split Cholesky factorization B = S**H*S, as returned by ZPBSTF.

*LDBB*

LDBB is INTEGER The leading dimension of the array BB. LDBB >= KB+1.

*Q*

Q is COMPLEX*16 array, dimension (LDQ, N) If JOBZ = 'V', the n-by-n matrix used in the reduction of A*x = (lambda)*B*x to standard form, i.e. C*x = (lambda)*x, and consequently C to tridiagonal form. If JOBZ = 'N', the array Q is not referenced.

*LDQ*

LDQ is INTEGER The leading dimension of the array Q. If JOBZ = 'N', LDQ >= 1. If JOBZ = 'V', LDQ >= max(1,N).

*VL*

VL is DOUBLE PRECISION If RANGE='V', the lower bound of the interval to be searched for eigenvalues. VL < VU. Not referenced if RANGE = 'A' or 'I'.

*VU*

VU is DOUBLE PRECISION If RANGE='V', the upper bound of the interval to be searched for eigenvalues. VL < VU. Not referenced if RANGE = 'A' or 'I'.

*IL*

IL is INTEGER If RANGE='I', the index of the smallest eigenvalue to be returned. 1 <= IL <= IU <= N, if N > 0; IL = 1 and IU = 0 if N = 0. Not referenced if RANGE = 'A' or 'V'.

*IU*

IU is INTEGER If RANGE='I', the index of the largest eigenvalue to be returned. 1 <= IL <= IU <= N, if N > 0; IL = 1 and IU = 0 if N = 0. Not referenced if RANGE = 'A' or 'V'.

*ABSTOL*

ABSTOL is DOUBLE PRECISION The absolute error tolerance for the eigenvalues. An approximate eigenvalue is accepted as converged when it is determined to lie in an interval [a,b] of width less than or equal to ABSTOL + EPS * max( |a|,|b| ) , where EPS is the machine precision. If ABSTOL is less than or equal to zero, then EPS*|T| will be used in its place, where |T| is the 1-norm of the tridiagonal matrix obtained by reducing AP to tridiagonal form. Eigenvalues will be computed most accurately when ABSTOL is set to twice the underflow threshold 2*DLAMCH('S'), not zero. If this routine returns with INFO>0, indicating that some eigenvectors did not converge, try setting ABSTOL to 2*DLAMCH('S').

*M*

M is INTEGER The total number of eigenvalues found. 0 <= M <= N. If RANGE = 'A', M = N, and if RANGE = 'I', M = IU-IL+1.

*W*

W is DOUBLE PRECISION array, dimension (N) If INFO = 0, the eigenvalues in ascending order.

*Z*

Z is COMPLEX*16 array, dimension (LDZ, N) If JOBZ = 'V', then if INFO = 0, Z contains the matrix Z of eigenvectors, with the i-th column of Z holding the eigenvector associated with W(i). The eigenvectors are normalized so that Z**H*B*Z = I. If JOBZ = 'N', then Z is not referenced.

*LDZ*

LDZ is INTEGER The leading dimension of the array Z. LDZ >= 1, and if JOBZ = 'V', LDZ >= N.

*WORK*

WORK is COMPLEX*16 array, dimension (N)

*RWORK*

RWORK is DOUBLE PRECISION array, dimension (7*N)

*IWORK*

IWORK is INTEGER array, dimension (5*N)

*IFAIL*

IFAIL is INTEGER array, dimension (N) If JOBZ = 'V', then if INFO = 0, the first M elements of IFAIL are zero. If INFO > 0, then IFAIL contains the indices of the eigenvectors that failed to converge. If JOBZ = 'N', then IFAIL is not referenced.

*INFO*

INFO is INTEGER = 0: successful exit < 0: if INFO = -i, the i-th argument had an illegal value > 0: if INFO = i, and i is: <= N: then i eigenvectors failed to converge. Their indices are stored in array IFAIL. > N: if INFO = N + i, for 1 <= i <= N, then ZPBSTF returned INFO = i: B is not positive definite. The factorization of B could not be completed and no eigenvalues or eigenvectors were computed.

**Author**

Univ. of California Berkeley

Univ. of Colorado Denver

NAG Ltd.

**Contributors:**

## subroutine zhpev (character JOBZ, character UPLO, integer N, complex*16, dimension( * ) AP, double precision, dimension( * ) W, complex*16, dimension( ldz, * ) Z, integer LDZ, complex*16, dimension( * ) WORK, double precision, dimension( * ) RWORK, integer INFO)¶

**ZHPEV computes the eigenvalues and, optionally, the left and/or right eigenvectors for OTHER matrices**

**Purpose:**

ZHPEV computes all the eigenvalues and, optionally, eigenvectors of a complex Hermitian matrix in packed storage.

**Parameters**

*JOBZ*

JOBZ is CHARACTER*1 = 'N': Compute eigenvalues only; = 'V': Compute eigenvalues and eigenvectors.

*UPLO*

UPLO is CHARACTER*1 = 'U': Upper triangle of A is stored; = 'L': Lower triangle of A is stored.

*N*

N is INTEGER The order of the matrix A. N >= 0.

*AP*

AP is COMPLEX*16 array, dimension (N*(N+1)/2) On entry, the upper or lower triangle of the Hermitian matrix A, packed columnwise in a linear array. The j-th column of A is stored in the array AP as follows: if UPLO = 'U', AP(i + (j-1)*j/2) = A(i,j) for 1<=i<=j; if UPLO = 'L', AP(i + (j-1)*(2*n-j)/2) = A(i,j) for j<=i<=n. On exit, AP is overwritten by values generated during the reduction to tridiagonal form. If UPLO = 'U', the diagonal and first superdiagonal of the tridiagonal matrix T overwrite the corresponding elements of A, and if UPLO = 'L', the diagonal and first subdiagonal of T overwrite the corresponding elements of A.

*W*

W is DOUBLE PRECISION array, dimension (N) If INFO = 0, the eigenvalues in ascending order.

*Z*

*LDZ*

LDZ is INTEGER The leading dimension of the array Z. LDZ >= 1, and if JOBZ = 'V', LDZ >= max(1,N).

*WORK*

WORK is COMPLEX*16 array, dimension (max(1, 2*N-1))

*RWORK*

RWORK is DOUBLE PRECISION array, dimension (max(1, 3*N-2))

*INFO*

**Author**

Univ. of California Berkeley

Univ. of Colorado Denver

NAG Ltd.

## subroutine zhpevd (character JOBZ, character UPLO, integer N, complex*16, dimension( * ) AP, double precision, dimension( * ) W, complex*16, dimension( ldz, * ) Z, integer LDZ, complex*16, dimension( * ) WORK, integer LWORK, double precision, dimension( * ) RWORK, integer LRWORK, integer, dimension( * ) IWORK, integer LIWORK, integer INFO)¶

**ZHPEVD computes the eigenvalues and, optionally, the left and/or right eigenvectors for OTHER matrices**

**Purpose:**

ZHPEVD computes all the eigenvalues and, optionally, eigenvectors of a complex Hermitian matrix A in packed storage. If eigenvectors are desired, it uses a divide and conquer algorithm. The divide and conquer algorithm makes very mild assumptions about floating point arithmetic. It will work on machines with a guard digit in add/subtract, or on those binary machines without guard digits which subtract like the Cray X-MP, Cray Y-MP, Cray C-90, or Cray-2. It could conceivably fail on hexadecimal or decimal machines without guard digits, but we know of none.

**Parameters**

*JOBZ*

JOBZ is CHARACTER*1 = 'N': Compute eigenvalues only; = 'V': Compute eigenvalues and eigenvectors.

*UPLO*

UPLO is CHARACTER*1 = 'U': Upper triangle of A is stored; = 'L': Lower triangle of A is stored.

*N*

N is INTEGER The order of the matrix A. N >= 0.

*AP*

AP is COMPLEX*16 array, dimension (N*(N+1)/2) On entry, the upper or lower triangle of the Hermitian matrix A, packed columnwise in a linear array. The j-th column of A is stored in the array AP as follows: if UPLO = 'U', AP(i + (j-1)*j/2) = A(i,j) for 1<=i<=j; if UPLO = 'L', AP(i + (j-1)*(2*n-j)/2) = A(i,j) for j<=i<=n. On exit, AP is overwritten by values generated during the reduction to tridiagonal form. If UPLO = 'U', the diagonal and first superdiagonal of the tridiagonal matrix T overwrite the corresponding elements of A, and if UPLO = 'L', the diagonal and first subdiagonal of T overwrite the corresponding elements of A.

*W*

W is DOUBLE PRECISION array, dimension (N) If INFO = 0, the eigenvalues in ascending order.

*Z*

*LDZ*

LDZ is INTEGER The leading dimension of the array Z. LDZ >= 1, and if JOBZ = 'V', LDZ >= max(1,N).

*WORK*

WORK is COMPLEX*16 array, dimension (MAX(1,LWORK)) On exit, if INFO = 0, WORK(1) returns the required LWORK.

*LWORK*

LWORK is INTEGER The dimension of array WORK. If N <= 1, LWORK must be at least 1. If JOBZ = 'N' and N > 1, LWORK must be at least N. If JOBZ = 'V' and N > 1, LWORK must be at least 2*N. If LWORK = -1, then a workspace query is assumed; the routine only calculates the required sizes of the WORK, RWORK and IWORK arrays, returns these values as the first entries of the WORK, RWORK and IWORK arrays, and no error message related to LWORK or LRWORK or LIWORK is issued by XERBLA.

*RWORK*

RWORK is DOUBLE PRECISION array, dimension (MAX(1,LRWORK)) On exit, if INFO = 0, RWORK(1) returns the required LRWORK.

*LRWORK*

LRWORK is INTEGER The dimension of array RWORK. If N <= 1, LRWORK must be at least 1. If JOBZ = 'N' and N > 1, LRWORK must be at least N. If JOBZ = 'V' and N > 1, LRWORK must be at least 1 + 5*N + 2*N**2. If LRWORK = -1, then a workspace query is assumed; the routine only calculates the required sizes of the WORK, RWORK and IWORK arrays, returns these values as the first entries of the WORK, RWORK and IWORK arrays, and no error message related to LWORK or LRWORK or LIWORK is issued by XERBLA.

*IWORK*

IWORK is INTEGER array, dimension (MAX(1,LIWORK)) On exit, if INFO = 0, IWORK(1) returns the required LIWORK.

*LIWORK*

LIWORK is INTEGER The dimension of array IWORK. If JOBZ = 'N' or N <= 1, LIWORK must be at least 1. If JOBZ = 'V' and N > 1, LIWORK must be at least 3 + 5*N. If LIWORK = -1, then a workspace query is assumed; the routine only calculates the required sizes of the WORK, RWORK and IWORK arrays, returns these values as the first entries of the WORK, RWORK and IWORK arrays, and no error message related to LWORK or LRWORK or LIWORK is issued by XERBLA.

*INFO*

INFO is INTEGER = 0: successful exit < 0: if INFO = -i, the i-th argument had an illegal value. > 0: if INFO = i, the algorithm failed to converge; i off-diagonal elements of an intermediate tridiagonal form did not converge to zero.

**Author**

Univ. of California Berkeley

Univ. of Colorado Denver

NAG Ltd.

## subroutine zhpevx (character JOBZ, character RANGE, character UPLO, integer N, complex*16, dimension( * ) AP, double precision VL, double precision VU, integer IL, integer IU, double precision ABSTOL, integer M, double precision, dimension( * ) W, complex*16, dimension( ldz, * ) Z, integer LDZ, complex*16, dimension( * ) WORK, double precision, dimension( * ) RWORK, integer, dimension( * ) IWORK, integer, dimension( * ) IFAIL, integer INFO)¶

**ZHPEVX computes the eigenvalues and, optionally, the left and/or right eigenvectors for OTHER matrices**

**Purpose:**

ZHPEVX computes selected eigenvalues and, optionally, eigenvectors of a complex Hermitian matrix A in packed storage. Eigenvalues/vectors can be selected by specifying either a range of values or a range of indices for the desired eigenvalues.

**Parameters**

*JOBZ*

JOBZ is CHARACTER*1 = 'N': Compute eigenvalues only; = 'V': Compute eigenvalues and eigenvectors.

*RANGE*

*UPLO*

UPLO is CHARACTER*1 = 'U': Upper triangle of A is stored; = 'L': Lower triangle of A is stored.

*N*

N is INTEGER The order of the matrix A. N >= 0.

*AP*

AP is COMPLEX*16 array, dimension (N*(N+1)/2) On entry, the upper or lower triangle of the Hermitian matrix A, packed columnwise in a linear array. The j-th column of A is stored in the array AP as follows: if UPLO = 'U', AP(i + (j-1)*j/2) = A(i,j) for 1<=i<=j; if UPLO = 'L', AP(i + (j-1)*(2*n-j)/2) = A(i,j) for j<=i<=n. On exit, AP is overwritten by values generated during the reduction to tridiagonal form. If UPLO = 'U', the diagonal and first superdiagonal of the tridiagonal matrix T overwrite the corresponding elements of A, and if UPLO = 'L', the diagonal and first subdiagonal of T overwrite the corresponding elements of A.

*VL*

*VU*

*IL*

*IU*

*ABSTOL*

ABSTOL is DOUBLE PRECISION The absolute error tolerance for the eigenvalues. An approximate eigenvalue is accepted as converged when it is determined to lie in an interval [a,b] of width less than or equal to ABSTOL + EPS * max( |a|,|b| ) , where EPS is the machine precision. If ABSTOL is less than or equal to zero, then EPS*|T| will be used in its place, where |T| is the 1-norm of the tridiagonal matrix obtained by reducing AP to tridiagonal form. Eigenvalues will be computed most accurately when ABSTOL is set to twice the underflow threshold 2*DLAMCH('S'), not zero. If this routine returns with INFO>0, indicating that some eigenvectors did not converge, try setting ABSTOL to 2*DLAMCH('S'). See "Computing Small Singular Values of Bidiagonal Matrices with Guaranteed High Relative Accuracy," by Demmel and Kahan, LAPACK Working Note #3.

*M*

*W*

W is DOUBLE PRECISION array, dimension (N) If INFO = 0, the selected eigenvalues in ascending order.

*Z*

Z is COMPLEX*16 array, dimension (LDZ, max(1,M)) If JOBZ = 'V', then if INFO = 0, the first M columns of Z contain the orthonormal eigenvectors of the matrix A corresponding to the selected eigenvalues, with the i-th column of Z holding the eigenvector associated with W(i). If an eigenvector fails to converge, then that column of Z contains the latest approximation to the eigenvector, and the index of the eigenvector is returned in IFAIL. If JOBZ = 'N', then Z is not referenced. Note: the user must ensure that at least max(1,M) columns are supplied in the array Z; if RANGE = 'V', the exact value of M is not known in advance and an upper bound must be used.

*LDZ*

LDZ is INTEGER The leading dimension of the array Z. LDZ >= 1, and if JOBZ = 'V', LDZ >= max(1,N).

*WORK*

WORK is COMPLEX*16 array, dimension (2*N)

*RWORK*

RWORK is DOUBLE PRECISION array, dimension (7*N)

*IWORK*

IWORK is INTEGER array, dimension (5*N)

*IFAIL*

*INFO*

INFO is INTEGER = 0: successful exit < 0: if INFO = -i, the i-th argument had an illegal value > 0: if INFO = i, then i eigenvectors failed to converge. Their indices are stored in array IFAIL.

**Author**

Univ. of California Berkeley

Univ. of Colorado Denver

NAG Ltd.

## subroutine zhpgv (integer ITYPE, character JOBZ, character UPLO, integer N, complex*16, dimension( * ) AP, complex*16, dimension( * ) BP, double precision, dimension( * ) W, complex*16, dimension( ldz, * ) Z, integer LDZ, complex*16, dimension( * ) WORK, double precision, dimension( * ) RWORK, integer INFO)¶

**ZHPGV**

**Purpose:**

ZHPGV computes all the eigenvalues and, optionally, the eigenvectors of a complex generalized Hermitian-definite eigenproblem, of the form A*x=(lambda)*B*x, A*Bx=(lambda)*x, or B*A*x=(lambda)*x. Here A and B are assumed to be Hermitian, stored in packed format, and B is also positive definite.

**Parameters**

*ITYPE*

ITYPE is INTEGER Specifies the problem type to be solved: = 1: A*x = (lambda)*B*x = 2: A*B*x = (lambda)*x = 3: B*A*x = (lambda)*x

*JOBZ*

JOBZ is CHARACTER*1 = 'N': Compute eigenvalues only; = 'V': Compute eigenvalues and eigenvectors.

*UPLO*

*N*

N is INTEGER The order of the matrices A and B. N >= 0.

*AP*

AP is COMPLEX*16 array, dimension (N*(N+1)/2) On entry, the upper or lower triangle of the Hermitian matrix A, packed columnwise in a linear array. The j-th column of A is stored in the array AP as follows: if UPLO = 'U', AP(i + (j-1)*j/2) = A(i,j) for 1<=i<=j; if UPLO = 'L', AP(i + (j-1)*(2*n-j)/2) = A(i,j) for j<=i<=n. On exit, the contents of AP are destroyed.

*BP*

BP is COMPLEX*16 array, dimension (N*(N+1)/2) On entry, the upper or lower triangle of the Hermitian matrix B, packed columnwise in a linear array. The j-th column of B is stored in the array BP as follows: if UPLO = 'U', BP(i + (j-1)*j/2) = B(i,j) for 1<=i<=j; if UPLO = 'L', BP(i + (j-1)*(2*n-j)/2) = B(i,j) for j<=i<=n. On exit, the triangular factor U or L from the Cholesky factorization B = U**H*U or B = L*L**H, in the same storage format as B.

*W*

W is DOUBLE PRECISION array, dimension (N) If INFO = 0, the eigenvalues in ascending order.

*Z*

Z is COMPLEX*16 array, dimension (LDZ, N) If JOBZ = 'V', then if INFO = 0, Z contains the matrix Z of eigenvectors. The eigenvectors are normalized as follows: if ITYPE = 1 or 2, Z**H*B*Z = I; if ITYPE = 3, Z**H*inv(B)*Z = I. If JOBZ = 'N', then Z is not referenced.

*LDZ*

LDZ is INTEGER The leading dimension of the array Z. LDZ >= 1, and if JOBZ = 'V', LDZ >= max(1,N).

*WORK*

WORK is COMPLEX*16 array, dimension (max(1, 2*N-1))

*RWORK*

RWORK is DOUBLE PRECISION array, dimension (max(1, 3*N-2))

*INFO*

INFO is INTEGER = 0: successful exit < 0: if INFO = -i, the i-th argument had an illegal value > 0: ZPPTRF or ZHPEV returned an error code: <= N: if INFO = i, ZHPEV failed to converge; i off-diagonal elements of an intermediate tridiagonal form did not convergeto zero; > N: if INFO = N + i, for 1 <= i <= n, then the leading minor of order i of B is not positive definite. The factorization of B could not be completed and no eigenvalues or eigenvectors were computed.

**Author**

Univ. of California Berkeley

Univ. of Colorado Denver

NAG Ltd.

## subroutine zhpgvd (integer ITYPE, character JOBZ, character UPLO, integer N, complex*16, dimension( * ) AP, complex*16, dimension( * ) BP, double precision, dimension( * ) W, complex*16, dimension( ldz, * ) Z, integer LDZ, complex*16, dimension( * ) WORK, integer LWORK, double precision, dimension( * ) RWORK, integer LRWORK, integer, dimension( * ) IWORK, integer LIWORK, integer INFO)¶

**ZHPGVD**

**Purpose:**

ZHPGVD computes all the eigenvalues and, optionally, the eigenvectors of a complex generalized Hermitian-definite eigenproblem, of the form A*x=(lambda)*B*x, A*Bx=(lambda)*x, or B*A*x=(lambda)*x. Here A and B are assumed to be Hermitian, stored in packed format, and B is also positive definite. If eigenvectors are desired, it uses a divide and conquer algorithm. The divide and conquer algorithm makes very mild assumptions about floating point arithmetic. It will work on machines with a guard digit in add/subtract, or on those binary machines without guard digits which subtract like the Cray X-MP, Cray Y-MP, Cray C-90, or Cray-2. It could conceivably fail on hexadecimal or decimal machines without guard digits, but we know of none.

**Parameters**

*ITYPE*

ITYPE is INTEGER Specifies the problem type to be solved: = 1: A*x = (lambda)*B*x = 2: A*B*x = (lambda)*x = 3: B*A*x = (lambda)*x

*JOBZ*

JOBZ is CHARACTER*1 = 'N': Compute eigenvalues only; = 'V': Compute eigenvalues and eigenvectors.

*UPLO*

*N*

N is INTEGER The order of the matrices A and B. N >= 0.

*AP*

AP is COMPLEX*16 array, dimension (N*(N+1)/2) On entry, the upper or lower triangle of the Hermitian matrix A, packed columnwise in a linear array. The j-th column of A is stored in the array AP as follows: if UPLO = 'U', AP(i + (j-1)*j/2) = A(i,j) for 1<=i<=j; if UPLO = 'L', AP(i + (j-1)*(2*n-j)/2) = A(i,j) for j<=i<=n. On exit, the contents of AP are destroyed.

*BP*

BP is COMPLEX*16 array, dimension (N*(N+1)/2) On entry, the upper or lower triangle of the Hermitian matrix B, packed columnwise in a linear array. The j-th column of B is stored in the array BP as follows: if UPLO = 'U', BP(i + (j-1)*j/2) = B(i,j) for 1<=i<=j; if UPLO = 'L', BP(i + (j-1)*(2*n-j)/2) = B(i,j) for j<=i<=n. On exit, the triangular factor U or L from the Cholesky factorization B = U**H*U or B = L*L**H, in the same storage format as B.

*W*

W is DOUBLE PRECISION array, dimension (N) If INFO = 0, the eigenvalues in ascending order.

*Z*

Z is COMPLEX*16 array, dimension (LDZ, N) If JOBZ = 'V', then if INFO = 0, Z contains the matrix Z of eigenvectors. The eigenvectors are normalized as follows: if ITYPE = 1 or 2, Z**H*B*Z = I; if ITYPE = 3, Z**H*inv(B)*Z = I. If JOBZ = 'N', then Z is not referenced.

*LDZ*

LDZ is INTEGER The leading dimension of the array Z. LDZ >= 1, and if JOBZ = 'V', LDZ >= max(1,N).

*WORK*

WORK is COMPLEX*16 array, dimension (MAX(1,LWORK)) On exit, if INFO = 0, WORK(1) returns the required LWORK.

*LWORK*

LWORK is INTEGER The dimension of the array WORK. If N <= 1, LWORK >= 1. If JOBZ = 'N' and N > 1, LWORK >= N. If JOBZ = 'V' and N > 1, LWORK >= 2*N. If LWORK = -1, then a workspace query is assumed; the routine only calculates the required sizes of the WORK, RWORK and IWORK arrays, returns these values as the first entries of the WORK, RWORK and IWORK arrays, and no error message related to LWORK or LRWORK or LIWORK is issued by XERBLA.

*RWORK*

RWORK is DOUBLE PRECISION array, dimension (MAX(1,LRWORK)) On exit, if INFO = 0, RWORK(1) returns the required LRWORK.

*LRWORK*

LRWORK is INTEGER The dimension of array RWORK. If N <= 1, LRWORK >= 1. If JOBZ = 'N' and N > 1, LRWORK >= N. If JOBZ = 'V' and N > 1, LRWORK >= 1 + 5*N + 2*N**2. If LRWORK = -1, then a workspace query is assumed; the routine only calculates the required sizes of the WORK, RWORK and IWORK arrays, returns these values as the first entries of the WORK, RWORK and IWORK arrays, and no error message related to LWORK or LRWORK or LIWORK is issued by XERBLA.

*IWORK*

IWORK is INTEGER array, dimension (MAX(1,LIWORK)) On exit, if INFO = 0, IWORK(1) returns the required LIWORK.

*LIWORK*

LIWORK is INTEGER The dimension of array IWORK. If JOBZ = 'N' or N <= 1, LIWORK >= 1. If JOBZ = 'V' and N > 1, LIWORK >= 3 + 5*N. If LIWORK = -1, then a workspace query is assumed; the routine only calculates the required sizes of the WORK, RWORK and IWORK arrays, returns these values as the first entries of the WORK, RWORK and IWORK arrays, and no error message related to LWORK or LRWORK or LIWORK is issued by XERBLA.

*INFO*

INFO is INTEGER = 0: successful exit < 0: if INFO = -i, the i-th argument had an illegal value > 0: ZPPTRF or ZHPEVD returned an error code: <= N: if INFO = i, ZHPEVD failed to converge; i off-diagonal elements of an intermediate tridiagonal form did not convergeto zero; > N: if INFO = N + i, for 1 <= i <= n, then the leading minor of order i of B is not positive definite. The factorization of B could not be completed and no eigenvalues or eigenvectors were computed.

**Author**

Univ. of California Berkeley

Univ. of Colorado Denver

NAG Ltd.

**Contributors:**

## subroutine zhpgvx (integer ITYPE, character JOBZ, character RANGE, character UPLO, integer N, complex*16, dimension( * ) AP, complex*16, dimension( * ) BP, double precision VL, double precision VU, integer IL, integer IU, double precision ABSTOL, integer M, double precision, dimension( * ) W, complex*16, dimension( ldz, * ) Z, integer LDZ, complex*16, dimension( * ) WORK, double precision, dimension( * ) RWORK, integer, dimension( * ) IWORK, integer, dimension( * ) IFAIL, integer INFO)¶

**ZHPGVX**

**Purpose:**

ZHPGVX computes selected eigenvalues and, optionally, eigenvectors of a complex generalized Hermitian-definite eigenproblem, of the form A*x=(lambda)*B*x, A*Bx=(lambda)*x, or B*A*x=(lambda)*x. Here A and B are assumed to be Hermitian, stored in packed format, and B is also positive definite. Eigenvalues and eigenvectors can be selected by specifying either a range of values or a range of indices for the desired eigenvalues.

**Parameters**

*ITYPE*

ITYPE is INTEGER Specifies the problem type to be solved: = 1: A*x = (lambda)*B*x = 2: A*B*x = (lambda)*x = 3: B*A*x = (lambda)*x

*JOBZ*

JOBZ is CHARACTER*1 = 'N': Compute eigenvalues only; = 'V': Compute eigenvalues and eigenvectors.

*RANGE*

*UPLO*

*N*

N is INTEGER The order of the matrices A and B. N >= 0.

*AP*

AP is COMPLEX*16 array, dimension (N*(N+1)/2) On entry, the upper or lower triangle of the Hermitian matrix A, packed columnwise in a linear array. The j-th column of A is stored in the array AP as follows: if UPLO = 'U', AP(i + (j-1)*j/2) = A(i,j) for 1<=i<=j; if UPLO = 'L', AP(i + (j-1)*(2*n-j)/2) = A(i,j) for j<=i<=n. On exit, the contents of AP are destroyed.

*BP*

BP is COMPLEX*16 array, dimension (N*(N+1)/2) On entry, the upper or lower triangle of the Hermitian matrix B, packed columnwise in a linear array. The j-th column of B is stored in the array BP as follows: if UPLO = 'U', BP(i + (j-1)*j/2) = B(i,j) for 1<=i<=j; if UPLO = 'L', BP(i + (j-1)*(2*n-j)/2) = B(i,j) for j<=i<=n. On exit, the triangular factor U or L from the Cholesky factorization B = U**H*U or B = L*L**H, in the same storage format as B.

*VL*

*VU*

*IL*

*IU*

*ABSTOL*

ABSTOL is DOUBLE PRECISION The absolute error tolerance for the eigenvalues. An approximate eigenvalue is accepted as converged when it is determined to lie in an interval [a,b] of width less than or equal to ABSTOL + EPS * max( |a|,|b| ) , where EPS is the machine precision. If ABSTOL is less than or equal to zero, then EPS*|T| will be used in its place, where |T| is the 1-norm of the tridiagonal matrix obtained by reducing AP to tridiagonal form. Eigenvalues will be computed most accurately when ABSTOL is set to twice the underflow threshold 2*DLAMCH('S'), not zero. If this routine returns with INFO>0, indicating that some eigenvectors did not converge, try setting ABSTOL to 2*DLAMCH('S').

*M*

*W*

W is DOUBLE PRECISION array, dimension (N) On normal exit, the first M elements contain the selected eigenvalues in ascending order.

*Z*

Z is COMPLEX*16 array, dimension (LDZ, N) If JOBZ = 'N', then Z is not referenced. If JOBZ = 'V', then if INFO = 0, the first M columns of Z contain the orthonormal eigenvectors of the matrix A corresponding to the selected eigenvalues, with the i-th column of Z holding the eigenvector associated with W(i). The eigenvectors are normalized as follows: if ITYPE = 1 or 2, Z**H*B*Z = I; if ITYPE = 3, Z**H*inv(B)*Z = I. If an eigenvector fails to converge, then that column of Z contains the latest approximation to the eigenvector, and the index of the eigenvector is returned in IFAIL. Note: the user must ensure that at least max(1,M) columns are supplied in the array Z; if RANGE = 'V', the exact value of M is not known in advance and an upper bound must be used.

*LDZ*

LDZ is INTEGER The leading dimension of the array Z. LDZ >= 1, and if JOBZ = 'V', LDZ >= max(1,N).

*WORK*

WORK is COMPLEX*16 array, dimension (2*N)

*RWORK*

RWORK is DOUBLE PRECISION array, dimension (7*N)

*IWORK*

IWORK is INTEGER array, dimension (5*N)

*IFAIL*

*INFO*

INFO is INTEGER = 0: successful exit < 0: if INFO = -i, the i-th argument had an illegal value > 0: ZPPTRF or ZHPEVX returned an error code: <= N: if INFO = i, ZHPEVX failed to converge; i eigenvectors failed to converge. Their indices are stored in array IFAIL. > N: if INFO = N + i, for 1 <= i <= n, then the leading minor of order i of B is not positive definite. The factorization of B could not be completed and no eigenvalues or eigenvectors were computed.

**Author**

Univ. of California Berkeley

Univ. of Colorado Denver

NAG Ltd.

**Contributors:**

# Author¶

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