Matrix: PARSEC/H2O

Description: Real-space pseudopotential method. Zhou, Saad, Tiago, Chelikowsky, Univ MN

PARSEC/H2O graph
(undirected graph drawing)

PARSEC/H2O

  • Home page of the UF Sparse Matrix Collection
  • Matrix group: PARSEC
  • Click here for a description of the PARSEC group.
  • Click here for a list of all matrices
  • Click here for a list of all matrix groups
  • download as a MATLAB mat-file, file size: 4 MB. Use UFget(1357) or UFget('PARSEC/H2O') in MATLAB.
  • download in Matrix Market format, file size: 5 MB.
  • download in Rutherford/Boeing format, file size: 3 MB.

    Matrix properties
    number of rows67,024
    number of columns67,024
    nonzeros2,216,736
    structural full rank?yes
    structural rank67,024
    # of blocks from dmperm1
    # strongly connected comp.1
    explicit zero entries0
    nonzero pattern symmetrysymmetric
    numeric value symmetrysymmetric
    typereal
    structuresymmetric
    Cholesky candidate?yes
    positive definite?no

    authorY. Zhou, Y. Saad, M. Tiago, J. Chelikowsky
    editorT. Davis
    date2005
    kindtheoretical/quantum chemistry problem
    2D/3D problem?no

    Ordering statistics:result
    nnz(chol(P*(A+A'+s*I)*P')) with AMD482,032,544
    Cholesky flop count5.1e+12
    nnz(L+U), no partial pivoting, with AMD963,998,064
    nnz(V) for QR, upper bound nnz(L) for LU, with COLAMD541,818,994
    nnz(R) for QR, upper bound nnz(U) for LU, with COLAMD896,893,472

    For a description of the statistics displayed above, click here.

    Maintained by Tim Davis, last updated 12-Mar-2014.
    Matrix pictures by cspy, a MATLAB function in the CSparse package.
    Matrix graphs by Yifan Hu, AT&T Labs Visualization Group.