NAG Library Function Document

nag_zhegvd (f08sqc)

 Contents

    1  Purpose
    7  Accuracy

1
Purpose

nag_zhegvd (f08sqc) computes all the eigenvalues and, optionally, the eigenvectors of a complex generalized Hermitian-definite eigenproblem, of the form
Az=λBz ,   ABz=λz   or   BAz=λz ,  
where A and B are Hermitian and B is also positive definite. If eigenvectors are desired, it uses a divide-and-conquer algorithm.

2
Specification

#include <nag.h>
#include <nagf08.h>
void  nag_zhegvd (Nag_OrderType order, Integer itype, Nag_JobType job, Nag_UploType uplo, Integer n, Complex a[], Integer pda, Complex b[], Integer pdb, double w[], NagError *fail)

3
Description

nag_zhegvd (f08sqc) first performs a Cholesky factorization of the matrix B as B=UHU , when uplo=Nag_Upper or B=LLH , when uplo=Nag_Lower. The generalized problem is then reduced to a standard symmetric eigenvalue problem
Cx=λx ,  
which is solved for the eigenvalues and, optionally, the eigenvectors; the eigenvectors are then backtransformed to give the eigenvectors of the original problem.
For the problem Az=λBz , the eigenvectors are normalized so that the matrix of eigenvectors, z, satisfies
ZH A Z = Λ   and   ZH B Z = I ,  
where Λ  is the diagonal matrix whose diagonal elements are the eigenvalues. For the problem A B z = λ z  we correspondingly have
Z-1 A Z-H = Λ   and   ZH B Z = I ,  
and for B A z = λ z  we have
ZH A Z = Λ   and   ZH B-1 Z = I .  

4
References

Anderson E, Bai Z, Bischof C, Blackford S, Demmel J, Dongarra J J, Du Croz J J, Greenbaum A, Hammarling S, McKenney A and Sorensen D (1999) LAPACK Users' Guide (3rd Edition) SIAM, Philadelphia http://www.netlib.org/lapack/lug
Golub G H and Van Loan C F (1996) Matrix Computations (3rd Edition) Johns Hopkins University Press, Baltimore

5
Arguments

1:     order Nag_OrderTypeInput
On entry: the order argument specifies the two-dimensional storage scheme being used, i.e., row-major ordering or column-major ordering. C language defined storage is specified by order=Nag_RowMajor. See Section 3.3.1.3 in How to Use the NAG Library and its Documentation for a more detailed explanation of the use of this argument.
Constraint: order=Nag_RowMajor or Nag_ColMajor.
2:     itype IntegerInput
On entry: specifies the problem type to be solved.
itype=1
Az=λBz.
itype=2
ABz=λz.
itype=3
BAz=λz.
Constraint: itype=1, 2 or 3.
3:     job Nag_JobTypeInput
On entry: indicates whether eigenvectors are computed.
job=Nag_EigVals
Only eigenvalues are computed.
job=Nag_DoBoth
Eigenvalues and eigenvectors are computed.
Constraint: job=Nag_EigVals or Nag_DoBoth.
4:     uplo Nag_UploTypeInput
On entry: if uplo=Nag_Upper, the upper triangles of A and B are stored.
If uplo=Nag_Lower, the lower triangles of A and B are stored.
Constraint: uplo=Nag_Upper or Nag_Lower.
5:     n IntegerInput
On entry: n, the order of the matrices A and B.
Constraint: n0.
6:     a[dim] ComplexInput/Output
Note: the dimension, dim, of the array a must be at least max1,pda×n.
On entry: the n by n Hermitian matrix A.
If order=Nag_ColMajor, Aij is stored in a[j-1×pda+i-1].
If order=Nag_RowMajor, Aij is stored in a[i-1×pda+j-1].
If uplo=Nag_Upper, the upper triangular part of A must be stored and the elements of the array below the diagonal are not referenced.
If uplo=Nag_Lower, the lower triangular part of A must be stored and the elements of the array above the diagonal are not referenced.
On exit: if job=Nag_DoBoth, a contains the matrix Z of eigenvectors. The eigenvectors are normalized as follows:
  • if itype=1 or 2, ZHBZ=I;
  • if itype=3, ZHB-1Z=I.
If job=Nag_EigVals, the upper triangle (if uplo=Nag_Upper) or the lower triangle (if uplo=Nag_Lower) of a, including the diagonal, is overwritten.
7:     pda IntegerInput
On entry: the stride separating row or column elements (depending on the value of order) in the array a.
Constraint: pdamax1,n.
8:     b[dim] ComplexInput/Output
Note: the dimension, dim, of the array b must be at least max1,pdb×n.
On entry: the n by n Hermitian matrix B.
If order=Nag_ColMajor, Bij is stored in b[j-1×pdb+i-1].
If order=Nag_RowMajor, Bij is stored in b[i-1×pdb+j-1].
If uplo=Nag_Upper, the upper triangular part of B must be stored and the elements of the array below the diagonal are not referenced.
If uplo=Nag_Lower, the lower triangular part of B must be stored and the elements of the array above the diagonal are not referenced.
On exit: the triangular factor U or L from the Cholesky factorization B=UHU or B=LLH.
9:     pdb IntegerInput
On entry: the stride separating row or column elements (depending on the value of order) in the array b.
Constraint: pdbmax1,n.
10:   w[n] doubleOutput
On exit: the eigenvalues in ascending order.
11:   fail NagError *Input/Output
The NAG error argument (see Section 3.7 in How to Use the NAG Library and its Documentation).

6
Error Indicators and Warnings

NE_ALLOC_FAIL
Dynamic memory allocation failed.
See Section 2.3.1.2 in How to Use the NAG Library and its Documentation for further information.
NE_BAD_PARAM
On entry, argument value had an illegal value.
NE_CONVERGENCE
The algorithm failed to converge; value off-diagonal elements of an intermediate tridiagonal form did not converge to zero.
NE_INT
On entry, itype=value.
Constraint: itype=1, 2 or 3.
On entry, n=value.
Constraint: n0.
On entry, pda=value.
Constraint: pda>0.
On entry, pdb=value.
Constraint: pdb>0.
NE_INT_2
On entry, pda=value and n=value.
Constraint: pdamax1,n.
On entry, pdb=value and n=value.
Constraint: pdbmax1,n.
NE_INTERNAL_ERROR
An internal error has occurred in this function. Check the function call and any array sizes. If the call is correct then please contact NAG for assistance.
See Section 2.7.6 in How to Use the NAG Library and its Documentation for further information.
NE_MAT_NOT_POS_DEF
If fail.errnum=n+value, for 1valuen, then the leading minor of order value of B is not positive definite. The factorization of B could not be completed and no eigenvalues or eigenvectors were computed.
NE_NO_LICENCE
Your licence key may have expired or may not have been installed correctly.
See Section 2.7.5 in How to Use the NAG Library and its Documentation for further information.

7
Accuracy

If B is ill-conditioned with respect to inversion, then the error bounds for the computed eigenvalues and vectors may be large, although when the diagonal elements of B differ widely in magnitude the eigenvalues and eigenvectors may be less sensitive than the condition of B would suggest. See Section 4.10 of Anderson et al. (1999) for details of the error bounds.
The example program below illustrates the computation of approximate error bounds.

8
Parallelism and Performance

nag_zhegvd (f08sqc) is threaded by NAG for parallel execution in multithreaded implementations of the NAG Library.
nag_zhegvd (f08sqc) makes calls to BLAS and/or LAPACK routines, which may be threaded within the vendor library used by this implementation. Consult the documentation for the vendor library for further information.
Please consult the x06 Chapter Introduction for information on how to control and interrogate the OpenMP environment used within this function. Please also consult the Users' Note for your implementation for any additional implementation-specific information.

9
Further Comments

The total number of floating-point operations is proportional to n3 .
The real analogue of this function is nag_dsygvd (f08scc).

10
Example

This example finds all the eigenvalues and eigenvectors of the generalized Hermitian eigenproblem ABz=λz , where
A = -7.36i+0.00 0.77-0.43i -0.64-0.92i 3.01-6.97i 0.77+0.43i 3.49i+0.00 2.19+4.45i 1.90+3.73i -0.64+0.92i 2.19-4.45i 0.12i+0.00 2.88-3.17i 3.01+6.97i 1.90-3.73i 2.88+3.17i -2.54i+0.00  
and
B = 3.23i+0.00 1.51-1.92i 1.90+0.84i 0.42+2.50i 1.51+1.92i 3.58i+0.00 -0.23+1.11i -1.18+1.37i 1.90-0.84i -0.23-1.11i 4.09i+0.00 2.33-0.14i 0.42-2.50i -1.18-1.37i 2.33+0.14i 4.29i+0.00 ,  
together with an estimate of the condition number of B, and approximate error bounds for the computed eigenvalues and eigenvectors.
The example program for nag_zhegv (f08snc) illustrates solving a generalized Hermitian eigenproblem of the form Az=λBz .

10.1
Program Text

Program Text (f08sqce.c)

10.2
Program Data

Program Data (f08sqce.d)

10.3
Program Results

Program Results (f08sqce.r)

© The Numerical Algorithms Group Ltd, Oxford, UK. 2017