============================================================
Timing:                               incl.     excl.
============================================================
Initialization:                     129.565    31.828   0.3% |
 Hamiltonian:                        33.843     0.001   0.0% |
  Atomic:                             0.000     0.000   0.0% |
  Communicate energies:               8.836     8.836   0.1% |
  Hartree integrate/restrict:         0.020     0.020   0.0% |
  Initialize Hamiltonian:             0.034     0.034   0.0% |
  Poisson:                           23.398    23.398   0.2% |
  XC 3D grid:                         1.550     1.550   0.0% |
  vbar:                               0.003     0.003   0.0% |
 LCAO initialization:                63.894     2.540   0.0% |
  LCAO eigensolver:                  15.644     0.008   0.0% |
   Atomic Hamiltonian:                0.000     0.000   0.0% |
   Blacs Orbital Layouts:            11.144     0.001   0.0% |
    General diagonalize:             11.095    11.095   0.1% |
    Redistribute coefs:               0.038     0.038   0.0% |
    Send coefs to domains:            0.010     0.010   0.0% |
   Calculate projections:             0.000     0.000   0.0% |
   Distribute overlap matrix:         4.485     1.936   0.0% |
    Distribute overlap matrix:        2.549     2.549   0.0% |
   Potential matrix:                  0.007     0.007   0.0% |
  LCAO to grid:                       0.023     0.023   0.0% |
  Set positions (LCAO WFS):          45.688     6.243   0.1% |
   Basic WFS set positions:          11.389    11.389   0.1% |
   Basis functions set positions:     0.056     0.056   0.0% |
   Distribute overlap matrix:         1.757     1.757   0.0% |
   TCI: Calculate S, T, P:           26.243    26.243   0.3% |
SCF-cycle:                         9828.448   134.596   1.3% ||
 Density:                            14.073     0.020   0.0% |
  Atomic density matrices:            0.007     0.007   0.0% |
  Mix:                                3.665     3.665   0.0% |
  Multipole moments:                  2.345     2.345   0.0% |
  Pseudo density:                     8.036     8.027   0.1% |
   Symmetrize density:                0.010     0.010   0.0% |
 Hamiltonian:                      1156.021     0.041   0.0% |
  Atomic:                             0.012     0.012   0.0% |
  Communicate energies:             664.518   664.518   6.7% |--|
  Hartree integrate/restrict:         1.525     1.525   0.0% |
  Poisson:                          374.298   374.298   3.8% |-|
  XC 3D grid:                       115.365   115.365   1.2% |
  vbar:                               0.261     0.261   0.0% |
 Orthonormalize:                   2019.427     0.034   0.0% |
  Blacs Band Layouts:                30.819     0.008   0.0% |
   Inverse Cholesky:                 30.812    30.812   0.3% |
  calc_matrix:                     1559.693  1559.693  15.6% |-----|
  rotate_psi:                       428.880   428.880   4.3% |-|
 RMM-DIIS:                         4284.551  2147.631  21.5% |--------|
  precondition:                    2136.920  2136.920  21.4% |--------|
 Subspace diag:                    2219.780     0.037   0.0% |
  Blacs Band Layouts:               294.984     0.015   0.0% |
   Diagonalize:                     294.941   294.941   3.0% ||
   Distribute results:                0.028     0.028   0.0% |
  calc_matrix:                     1500.752  1500.752  15.0% |-----|
  rotate_psi:                       424.008   424.008   4.3% |-|
Other:                               15.752    15.752   0.2% |
============================================================
Total:                                       9973.764 100.0%
============================================================
date: Sun Mar 20 20:23:06 2011