================================================================================
==
==   Density Functional based Tight Binding with a lot of extensions (DFTB+)    
==
==                          Unofficial release (r3299)
==
==                            (ParserVersion = 3)
==
================================================================================


********************************************************************************
** Parsing and initializing
********************************************************************************

Interpreting input file 'dftb_in.hsd'
--------------------------------------------------------------------------------


Processed input in HSD format written to 'dftb_pin.hsd'

Starting initialization...
--------------------------------------------------------------------------------
 Contact Upload = F
 Contact Calculation = F
 Use GF solver = T
 Use Poisson solver = T
 Initializing gdftb library...
 natoms=           5
 ntypes=           2
 is Periodic= F
   qzero,   uhubb,   lmax
   4.0000   0.3647     2
   1.0000   0.4195     1
 Conversion factor Ang/a.u.  0.529177249000000     
 Conversion factor eV/a.u.   27.2113845000000     
 Machine accuracy  2.220446049250313E-016
 Temperature for electronic distribution=  0.000000000000000E+000
 Np=  20  20   0  20
 Contour parameters: LmbMax=  0.000000000000000E+000 N_omega=          10
 Delta for Green's function=  2.721138450000000E-004
 ReadOldSGF= F
 Bias=  0.000000000000000E+000 BiasDir=           0
 DoPoisson= T
 Input PoissonBox=
   30.0000000000000       0.000000000000000E+000  0.000000000000000E+000
  0.000000000000000E+000   30.0000000000000       0.000000000000000E+000
  0.000000000000000E+000  0.000000000000000E+000   30.0000000000000     
 MinPoissonGrid (x direction)=  0.300000000000000     
 MinPoissonGrid (y direction)=  0.300000000000000     
 MinPoissonGrid (z direction)=  0.300000000000000     
 PoissAcc=  1.000000000000000E-007
 BulkBoundaryPot= F
 Atomic orbital radius=   7.05000000000000     
 PoissPlane=  0.000000000000000E+000  0.000000000000000E+000
 MaxSCCiter=          30
 BroydenMix=  0.200000000000000     
=========================================================================
 DEVICE SECTION
 atoms =           1           5
 System Type: UNCONTACTED CLUSTER  STRUCTURE
 Fermi Level=  -1.13234674218812      eV
 MOLECULE
 Atom start =      1
 Atom end =      5
 nmdim=           8
  
=========================================================================
Mode:                        Static calculation
Self consistent charges:     Yes
SCC-tolerance:                 0.100000E-07
Max. scc iterations:                    100
Spin polarisation:           No
Nr. of up electrons:             4.000000
Nr. of down electrons:           4.000000
Periodic boundaries:         No
Diagonalizer:                Relativel robust (version 2)
Mixer:                       Broyden mixer
Mixing parameter:                  0.200000
Maximal SCC-cycles:                     100
Nr. of chrg. vec. in memory:            100
Electronic temperature:        0.100000E-07
Initial charges:             Set automatically (system chrg:   0.000E+00)
Included shells:              C:  S, P
                              H:  S
Extra options:
                             Force calculation
--------------------------------------------------------------------------------
 

********************************************************************************
** Geometry step: 0
********************************************************************************

         iSCC Total electronic   Diff electronic      SCC error    
=========================================================================
                    SOLVING POISSON EQUATION             
=========================================================================
-------------------------------------------------------------------------
 Poisson Box internally adjusted:
x range=   -14.71716    15.28284  F
y range=   -15.05000    14.95000  F
z range=   -14.65000    15.35000  F
 Mesh details:
 Lx=    30.000  nx= 129   dlx=  0.23437
 Ly=    30.000  ny= 129   dly=  0.23437
 Lz=    30.000  nz= 129   dlz=  0.23437
-------------------------------------------------------------------------
 Memory required for Poisson:   250.163760000000      Mb
Building charge density ..............................  0.2189000     sec
Solving Poisson equation .............................   9.864300     sec
 -------------------------------------------------------------------------
 relative error obtained =  9.187972502286099E-008
 number of cycles executed =  5/ 40
 -------------------------------------------------------------------------
Computing Hamiltonian shifts .........................  0.1204000     sec
*************************************************************************
 Saving charge density and potential ...
*************************************************************************
 number of blocks:           1
 indeces of molecular blocks:
           1           9
 Interacting blocks:
 
 Indeces of interacting blocks:
 
=========================================================================
           COMPUTING DENSITY MATRIX - Complex Integration
=========================================================================
INTEGRAL 1: point  1/ 20  CPU=  0
Compute Green`s funct ................................  6.9999998E-04 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 1: point  2/ 20  CPU=  0
Compute Green`s funct ................................  1.9999999E-04 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 1: point  3/ 20  CPU=  0
Compute Green`s funct ................................  1.9999999E-04 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 1: point  4/ 20  CPU=  0
Compute Green`s funct ................................  1.9999999E-04 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 1: point  5/ 20  CPU=  0
Compute Green`s funct ................................  1.9999999E-04 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 1: point  6/ 20  CPU=  0
Compute Green`s funct ................................  1.9999999E-04 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 1: point  7/ 20  CPU=  0
Compute Green`s funct ................................  1.9999999E-04 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 1: point  8/ 20  CPU=  0
Compute Green`s funct ................................  1.9999999E-04 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 1: point  9/ 20  CPU=  0
Compute Green`s funct ................................  1.9999999E-04 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 1: point 10/ 20  CPU=  0
Compute Green`s funct ................................  1.9999999E-04 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 1: point 11/ 20  CPU=  0
Compute Green`s funct ................................  1.9999999E-04 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 1: point 12/ 20  CPU=  0
Compute Green`s funct ................................  1.9999999E-04 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 1: point 13/ 20  CPU=  0
Compute Green`s funct ................................  1.9999999E-04 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 1: point 14/ 20  CPU=  0
Compute Green`s funct ................................  1.9999999E-04 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 1: point 15/ 20  CPU=  0
Compute Green`s funct ................................  1.9999999E-04 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 1: point 16/ 20  CPU=  0
Compute Green`s funct ................................  1.9999999E-04 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 1: point 17/ 20  CPU=  0
Compute Green`s funct ................................  1.9999999E-04 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 1: point 18/ 20  CPU=  0
Compute Green`s funct ................................  1.9999999E-04 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 1: point 19/ 20  CPU=  0
Compute Green`s funct ................................  1.9999999E-04 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 1: point 20/ 20  CPU=  0
Compute Green`s funct ................................  1.9999999E-04 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 2: point  1/ 20  CPU=  0
Compute Green`s funct ................................  9.9999997E-05 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 2: point  2/ 20  CPU=  0
Compute Green`s funct ................................  9.9999997E-05 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 2: point  3/ 20  CPU=  0
Compute Green`s funct ................................  1.9999999E-04 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 2: point  4/ 20  CPU=  0
Compute Green`s funct ................................  1.9999999E-04 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 2: point  5/ 20  CPU=  0
Compute Green`s funct ................................  1.9999999E-04 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 2: point  6/ 20  CPU=  0
Compute Green`s funct ................................  1.9999999E-04 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 2: point  7/ 20  CPU=  0
Compute Green`s funct ................................  1.9999999E-04 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 2: point  8/ 20  CPU=  0
Compute Green`s funct ................................  1.9999999E-04 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 2: point  9/ 20  CPU=  0
Compute Green`s funct ................................  1.9999999E-04 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 2: point 10/ 20  CPU=  0
Compute Green`s funct ................................  1.9999999E-04 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 2: point 11/ 20  CPU=  0
Compute Green`s funct ................................  1.9999999E-04 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 2: point 12/ 20  CPU=  0
Compute Green`s funct ................................  1.9999999E-04 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 2: point 13/ 20  CPU=  0
Compute Green`s funct ................................  1.9999999E-04 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 2: point 14/ 20  CPU=  0
Compute Green`s funct ................................  1.9999999E-04 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 2: point 15/ 20  CPU=  0
Compute Green`s funct ................................  1.9999999E-04 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 2: point 16/ 20  CPU=  0
Compute Green`s funct ................................  1.9999999E-04 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 2: point 17/ 20  CPU=  0
Compute Green`s funct ................................  1.9999999E-04 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 2: point 18/ 20  CPU=  0
Compute Green`s funct ................................  1.9999999E-04 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 2: point 19/ 20  CPU=  0
Compute Green`s funct ................................  1.9999999E-04 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 2: point 20/ 20  CPU=  0
Compute Green`s funct ................................  1.9999999E-04 sec
Density matrix update ................................  0.0000000E+00 sec
=========================================================================
Average number of decimation iter.:  0.000
current memory allocated:    34.35 Mb
   peak memory allocated:   250.17 Mb
 
scfsum:    1   -0.32086385E+01    0.00000000E+00    0.34754336E+00
=========================================================================
                    SOLVING POISSON EQUATION             
=========================================================================
Building charge density ..............................  0.2264000     sec
Solving Poisson equation .............................   11.47630     sec
 -------------------------------------------------------------------------
 relative error obtained =  5.744094828527075E-008
 number of cycles executed =  6/ 40
 -------------------------------------------------------------------------
Computing Hamiltonian shifts .........................  0.1524000     sec
*************************************************************************
 Saving charge density and potential ...
*************************************************************************
 number of blocks:           1
 indeces of molecular blocks:
           1           9
 Interacting blocks:
 
 Indeces of interacting blocks:
 
=========================================================================
           COMPUTING DENSITY MATRIX - Complex Integration
=========================================================================
INTEGRAL 1: point  1/ 20  CPU=  0
Compute Green`s funct ................................  1.9999999E-04 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 1: point  2/ 20  CPU=  0
Compute Green`s funct ................................  1.9999999E-04 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 1: point  3/ 20  CPU=  0
Compute Green`s funct ................................  1.9999999E-04 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 1: point  4/ 20  CPU=  0
Compute Green`s funct ................................  1.9999999E-04 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 1: point  5/ 20  CPU=  0
Compute Green`s funct ................................  1.9999999E-04 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 1: point  6/ 20  CPU=  0
Compute Green`s funct ................................  1.9999999E-04 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 1: point  7/ 20  CPU=  0
Compute Green`s funct ................................  1.9999999E-04 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 1: point  8/ 20  CPU=  0
Compute Green`s funct ................................  1.9999999E-04 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 1: point  9/ 20  CPU=  0
Compute Green`s funct ................................  1.9999999E-04 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 1: point 10/ 20  CPU=  0
Compute Green`s funct ................................  1.9999999E-04 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 1: point 11/ 20  CPU=  0
Compute Green`s funct ................................  1.9999999E-04 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 1: point 12/ 20  CPU=  0
Compute Green`s funct ................................  1.9999999E-04 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 1: point 13/ 20  CPU=  0
Compute Green`s funct ................................  1.9999999E-04 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 1: point 14/ 20  CPU=  0
Compute Green`s funct ................................  1.9999999E-04 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 1: point 15/ 20  CPU=  0
Compute Green`s funct ................................  1.9999999E-04 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 1: point 16/ 20  CPU=  0
Compute Green`s funct ................................  1.9999999E-04 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 1: point 17/ 20  CPU=  0
Compute Green`s funct ................................  1.9999999E-04 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 1: point 18/ 20  CPU=  0
Compute Green`s funct ................................  1.9999999E-04 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 1: point 19/ 20  CPU=  0
Compute Green`s funct ................................  1.9999999E-04 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 1: point 20/ 20  CPU=  0
Compute Green`s funct ................................  1.9999999E-04 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 2: point  1/ 20  CPU=  0
Compute Green`s funct ................................  1.9999999E-04 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 2: point  2/ 20  CPU=  0
Compute Green`s funct ................................  1.9999999E-04 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 2: point  3/ 20  CPU=  0
Compute Green`s funct ................................  1.9999999E-04 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 2: point  4/ 20  CPU=  0
Compute Green`s funct ................................  1.9999999E-04 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 2: point  5/ 20  CPU=  0
Compute Green`s funct ................................  1.9999999E-04 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 2: point  6/ 20  CPU=  0
Compute Green`s funct ................................  1.9999999E-04 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 2: point  7/ 20  CPU=  0
Compute Green`s funct ................................  1.9999999E-04 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 2: point  8/ 20  CPU=  0
Compute Green`s funct ................................  1.9999999E-04 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 2: point  9/ 20  CPU=  0
Compute Green`s funct ................................  1.9999999E-04 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 2: point 10/ 20  CPU=  0
Compute Green`s funct ................................  1.9999999E-04 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 2: point 11/ 20  CPU=  0
Compute Green`s funct ................................  1.9999999E-04 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 2: point 12/ 20  CPU=  0
Compute Green`s funct ................................  1.9999999E-04 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 2: point 13/ 20  CPU=  0
Compute Green`s funct ................................  9.9999997E-05 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 2: point 14/ 20  CPU=  0
Compute Green`s funct ................................  9.9999997E-05 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 2: point 15/ 20  CPU=  0
Compute Green`s funct ................................  9.9999997E-05 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 2: point 16/ 20  CPU=  0
Compute Green`s funct ................................  1.9999999E-04 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 2: point 17/ 20  CPU=  0
Compute Green`s funct ................................  1.9999999E-04 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 2: point 18/ 20  CPU=  0
Compute Green`s funct ................................  1.9999999E-04 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 2: point 19/ 20  CPU=  0
Compute Green`s funct ................................  1.9999999E-04 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 2: point 20/ 20  CPU=  0
Compute Green`s funct ................................  9.9999997E-05 sec
Density matrix update ................................  0.0000000E+00 sec
=========================================================================
Average number of decimation iter.:  0.000
current memory allocated:    34.35 Mb
   peak memory allocated:   250.17 Mb
 
scfsum:    2   -0.32083307E+01    0.30776269E-03    0.26302911E+00
=========================================================================
                    SOLVING POISSON EQUATION             
=========================================================================
Building charge density ..............................  0.2034000     sec
Solving Poisson equation .............................   11.46360     sec
 -------------------------------------------------------------------------
 relative error obtained =  4.346743790612467E-008
 number of cycles executed =  6/ 40
 -------------------------------------------------------------------------
Computing Hamiltonian shifts .........................  0.1209000     sec
*************************************************************************
 Saving charge density and potential ...
*************************************************************************
 number of blocks:           1
 indeces of molecular blocks:
           1           9
 Interacting blocks:
 
 Indeces of interacting blocks:
 
=========================================================================
           COMPUTING DENSITY MATRIX - Complex Integration
=========================================================================
INTEGRAL 1: point  1/ 20  CPU=  0
Compute Green`s funct ................................  1.9999999E-04 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 1: point  2/ 20  CPU=  0
Compute Green`s funct ................................  9.9999997E-05 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 1: point  3/ 20  CPU=  0
Compute Green`s funct ................................  9.9999997E-05 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 1: point  4/ 20  CPU=  0
Compute Green`s funct ................................  9.9999997E-05 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 1: point  5/ 20  CPU=  0
Compute Green`s funct ................................  9.9999997E-05 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 1: point  6/ 20  CPU=  0
Compute Green`s funct ................................  9.9999997E-05 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 1: point  7/ 20  CPU=  0
Compute Green`s funct ................................  9.9999997E-05 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 1: point  8/ 20  CPU=  0
Compute Green`s funct ................................  9.9999997E-05 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 1: point  9/ 20  CPU=  0
Compute Green`s funct ................................  9.9999997E-05 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 1: point 10/ 20  CPU=  0
Compute Green`s funct ................................  9.9999997E-05 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 1: point 11/ 20  CPU=  0
Compute Green`s funct ................................  1.9999999E-04 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 1: point 12/ 20  CPU=  0
Compute Green`s funct ................................  9.9999997E-05 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 1: point 13/ 20  CPU=  0
Compute Green`s funct ................................  9.9999997E-05 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 1: point 14/ 20  CPU=  0
Compute Green`s funct ................................  9.9999997E-05 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 1: point 15/ 20  CPU=  0
Compute Green`s funct ................................  9.9999997E-05 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 1: point 16/ 20  CPU=  0
Compute Green`s funct ................................  9.9999997E-05 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 1: point 17/ 20  CPU=  0
Compute Green`s funct ................................  9.9999997E-05 sec
Density matrix update ................................  9.9999997E-05 sec
INTEGRAL 1: point 18/ 20  CPU=  0
Compute Green`s funct ................................  9.9999997E-05 sec
Density matrix update ................................  9.9999997E-05 sec
INTEGRAL 1: point 19/ 20  CPU=  0
Compute Green`s funct ................................  9.9999997E-05 sec
Density matrix update ................................  9.9999997E-05 sec
INTEGRAL 1: point 20/ 20  CPU=  0
Compute Green`s funct ................................  9.9999997E-05 sec
Density matrix update ................................  9.9999997E-05 sec
INTEGRAL 2: point  1/ 20  CPU=  0
Compute Green`s funct ................................  1.9999999E-04 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 2: point  2/ 20  CPU=  0
Compute Green`s funct ................................  1.9999999E-04 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 2: point  3/ 20  CPU=  0
Compute Green`s funct ................................  9.9999997E-05 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 2: point  4/ 20  CPU=  0
Compute Green`s funct ................................  9.9999997E-05 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 2: point  5/ 20  CPU=  0
Compute Green`s funct ................................  9.9999997E-05 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 2: point  6/ 20  CPU=  0
Compute Green`s funct ................................  9.9999997E-05 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 2: point  7/ 20  CPU=  0
Compute Green`s funct ................................  9.9999997E-05 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 2: point  8/ 20  CPU=  0
Compute Green`s funct ................................  9.9999997E-05 sec
Density matrix update ................................  9.9999997E-05 sec
INTEGRAL 2: point  9/ 20  CPU=  0
Compute Green`s funct ................................  9.9999997E-05 sec
Density matrix update ................................  9.9999997E-05 sec
INTEGRAL 2: point 10/ 20  CPU=  0
Compute Green`s funct ................................  9.9999997E-05 sec
Density matrix update ................................  9.9999997E-05 sec
INTEGRAL 2: point 11/ 20  CPU=  0
Compute Green`s funct ................................  9.9999997E-05 sec
Density matrix update ................................  9.9999997E-05 sec
INTEGRAL 2: point 12/ 20  CPU=  0
Compute Green`s funct ................................  9.9999997E-05 sec
Density matrix update ................................  9.9999997E-05 sec
INTEGRAL 2: point 13/ 20  CPU=  0
Compute Green`s funct ................................  9.9999997E-05 sec
Density matrix update ................................  9.9999997E-05 sec
INTEGRAL 2: point 14/ 20  CPU=  0
Compute Green`s funct ................................  9.9999997E-05 sec
Density matrix update ................................  9.9999997E-05 sec
INTEGRAL 2: point 15/ 20  CPU=  0
Compute Green`s funct ................................  9.9999997E-05 sec
Density matrix update ................................  9.9999997E-05 sec
INTEGRAL 2: point 16/ 20  CPU=  0
Compute Green`s funct ................................  9.9999997E-05 sec
Density matrix update ................................  9.9999997E-05 sec
INTEGRAL 2: point 17/ 20  CPU=  0
Compute Green`s funct ................................  9.9999997E-05 sec
Density matrix update ................................  9.9999997E-05 sec
INTEGRAL 2: point 18/ 20  CPU=  0
Compute Green`s funct ................................  9.9999997E-05 sec
Density matrix update ................................  9.9999997E-05 sec
INTEGRAL 2: point 19/ 20  CPU=  0
Compute Green`s funct ................................  9.9999997E-05 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 2: point 20/ 20  CPU=  0
Compute Green`s funct ................................  9.9999997E-05 sec
Density matrix update ................................  0.0000000E+00 sec
=========================================================================
Average number of decimation iter.:  0.000
current memory allocated:    34.35 Mb
   peak memory allocated:   250.17 Mb
 
scfsum:    3   -0.32073727E+01    0.95801600E-03    0.81941844E-03
=========================================================================
                    SOLVING POISSON EQUATION             
=========================================================================
Building charge density ..............................  0.2152000     sec
Solving Poisson equation .............................   7.672100     sec
 -------------------------------------------------------------------------
 relative error obtained =  2.347271725024671E-008
 number of cycles executed =  4/ 40
 -------------------------------------------------------------------------
Computing Hamiltonian shifts .........................  0.1205000     sec
*************************************************************************
 Saving charge density and potential ...
*************************************************************************
 number of blocks:           1
 indeces of molecular blocks:
           1           9
 Interacting blocks:
 
 Indeces of interacting blocks:
 
=========================================================================
           COMPUTING DENSITY MATRIX - Complex Integration
=========================================================================
INTEGRAL 1: point  1/ 20  CPU=  0
Compute Green`s funct ................................  9.9999997E-05 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 1: point  2/ 20  CPU=  0
Compute Green`s funct ................................  1.9999999E-04 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 1: point  3/ 20  CPU=  0
Compute Green`s funct ................................  1.9999999E-04 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 1: point  4/ 20  CPU=  0
Compute Green`s funct ................................  1.9999999E-04 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 1: point  5/ 20  CPU=  0
Compute Green`s funct ................................  1.9999999E-04 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 1: point  6/ 20  CPU=  0
Compute Green`s funct ................................  1.9999999E-04 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 1: point  7/ 20  CPU=  0
Compute Green`s funct ................................  1.9999999E-04 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 1: point  8/ 20  CPU=  0
Compute Green`s funct ................................  1.9999999E-04 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 1: point  9/ 20  CPU=  0
Compute Green`s funct ................................  1.9999999E-04 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 1: point 10/ 20  CPU=  0
Compute Green`s funct ................................  1.9999999E-04 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 1: point 11/ 20  CPU=  0
Compute Green`s funct ................................  1.9999999E-04 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 1: point 12/ 20  CPU=  0
Compute Green`s funct ................................  1.9999999E-04 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 1: point 13/ 20  CPU=  0
Compute Green`s funct ................................  1.9999999E-04 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 1: point 14/ 20  CPU=  0
Compute Green`s funct ................................  1.9999999E-04 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 1: point 15/ 20  CPU=  0
Compute Green`s funct ................................  9.9999997E-05 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 1: point 16/ 20  CPU=  0
Compute Green`s funct ................................  9.9999997E-05 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 1: point 17/ 20  CPU=  0
Compute Green`s funct ................................  9.9999997E-05 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 1: point 18/ 20  CPU=  0
Compute Green`s funct ................................  9.9999997E-05 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 1: point 19/ 20  CPU=  0
Compute Green`s funct ................................  9.9999997E-05 sec
Density matrix update ................................  9.9999997E-05 sec
INTEGRAL 1: point 20/ 20  CPU=  0
Compute Green`s funct ................................  9.9999997E-05 sec
Density matrix update ................................  9.9999997E-05 sec
INTEGRAL 2: point  1/ 20  CPU=  0
Compute Green`s funct ................................  1.9999999E-04 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 2: point  2/ 20  CPU=  0
Compute Green`s funct ................................  1.9999999E-04 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 2: point  3/ 20  CPU=  0
Compute Green`s funct ................................  1.9999999E-04 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 2: point  4/ 20  CPU=  0
Compute Green`s funct ................................  9.9999997E-05 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 2: point  5/ 20  CPU=  0
Compute Green`s funct ................................  9.9999997E-05 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 2: point  6/ 20  CPU=  0
Compute Green`s funct ................................  9.9999997E-05 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 2: point  7/ 20  CPU=  0
Compute Green`s funct ................................  9.9999997E-05 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 2: point  8/ 20  CPU=  0
Compute Green`s funct ................................  9.9999997E-05 sec
Density matrix update ................................  9.9999997E-05 sec
INTEGRAL 2: point  9/ 20  CPU=  0
Compute Green`s funct ................................  9.9999997E-05 sec
Density matrix update ................................  9.9999997E-05 sec
INTEGRAL 2: point 10/ 20  CPU=  0
Compute Green`s funct ................................  9.9999997E-05 sec
Density matrix update ................................  9.9999997E-05 sec
INTEGRAL 2: point 11/ 20  CPU=  0
Compute Green`s funct ................................  9.9999997E-05 sec
Density matrix update ................................  9.9999997E-05 sec
INTEGRAL 2: point 12/ 20  CPU=  0
Compute Green`s funct ................................  9.9999997E-05 sec
Density matrix update ................................  9.9999997E-05 sec
INTEGRAL 2: point 13/ 20  CPU=  0
Compute Green`s funct ................................  9.9999997E-05 sec
Density matrix update ................................  9.9999997E-05 sec
INTEGRAL 2: point 14/ 20  CPU=  0
Compute Green`s funct ................................  9.9999997E-05 sec
Density matrix update ................................  9.9999997E-05 sec
INTEGRAL 2: point 15/ 20  CPU=  0
Compute Green`s funct ................................  9.9999997E-05 sec
Density matrix update ................................  9.9999997E-05 sec
INTEGRAL 2: point 16/ 20  CPU=  0
Compute Green`s funct ................................  9.9999997E-05 sec
Density matrix update ................................  9.9999997E-05 sec
INTEGRAL 2: point 17/ 20  CPU=  0
Compute Green`s funct ................................  9.9999997E-05 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 2: point 18/ 20  CPU=  0
Compute Green`s funct ................................  9.9999997E-05 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 2: point 19/ 20  CPU=  0
Compute Green`s funct ................................  9.9999997E-05 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 2: point 20/ 20  CPU=  0
Compute Green`s funct ................................  9.9999997E-05 sec
Density matrix update ................................  0.0000000E+00 sec
=========================================================================
Average number of decimation iter.:  0.000
current memory allocated:    34.35 Mb
   peak memory allocated:   250.17 Mb
 
scfsum:    4   -0.32073726E+01    0.53973945E-07    0.58587028E-03
=========================================================================
                    SOLVING POISSON EQUATION             
=========================================================================
Building charge density ..............................  0.2072000     sec
Solving Poisson equation .............................   7.671300     sec
 -------------------------------------------------------------------------
 relative error obtained =  5.933198153392448E-008
 number of cycles executed =  4/ 40
 -------------------------------------------------------------------------
Computing Hamiltonian shifts .........................  0.1249000     sec
*************************************************************************
 Saving charge density and potential ...
*************************************************************************
 number of blocks:           1
 indeces of molecular blocks:
           1           9
 Interacting blocks:
 
 Indeces of interacting blocks:
 
=========================================================================
           COMPUTING DENSITY MATRIX - Complex Integration
=========================================================================
INTEGRAL 1: point  1/ 20  CPU=  0
Compute Green`s funct ................................  1.9999999E-04 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 1: point  2/ 20  CPU=  0
Compute Green`s funct ................................  1.9999999E-04 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 1: point  3/ 20  CPU=  0
Compute Green`s funct ................................  1.9999999E-04 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 1: point  4/ 20  CPU=  0
Compute Green`s funct ................................  1.9999999E-04 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 1: point  5/ 20  CPU=  0
Compute Green`s funct ................................  1.9999999E-04 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 1: point  6/ 20  CPU=  0
Compute Green`s funct ................................  1.9999999E-04 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 1: point  7/ 20  CPU=  0
Compute Green`s funct ................................  1.9999999E-04 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 1: point  8/ 20  CPU=  0
Compute Green`s funct ................................  1.9999999E-04 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 1: point  9/ 20  CPU=  0
Compute Green`s funct ................................  1.9999999E-04 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 1: point 10/ 20  CPU=  0
Compute Green`s funct ................................  1.9999999E-04 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 1: point 11/ 20  CPU=  0
Compute Green`s funct ................................  1.9999999E-04 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 1: point 12/ 20  CPU=  0
Compute Green`s funct ................................  1.9999999E-04 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 1: point 13/ 20  CPU=  0
Compute Green`s funct ................................  1.9999999E-04 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 1: point 14/ 20  CPU=  0
Compute Green`s funct ................................  1.9999999E-04 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 1: point 15/ 20  CPU=  0
Compute Green`s funct ................................  9.9999997E-05 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 1: point 16/ 20  CPU=  0
Compute Green`s funct ................................  1.9999999E-04 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 1: point 17/ 20  CPU=  0
Compute Green`s funct ................................  9.9999997E-05 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 1: point 18/ 20  CPU=  0
Compute Green`s funct ................................  9.9999997E-05 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 1: point 19/ 20  CPU=  0
Compute Green`s funct ................................  9.9999997E-05 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 1: point 20/ 20  CPU=  0
Compute Green`s funct ................................  9.9999997E-05 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 2: point  1/ 20  CPU=  0
Compute Green`s funct ................................  1.9999999E-04 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 2: point  2/ 20  CPU=  0
Compute Green`s funct ................................  1.9999999E-04 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 2: point  3/ 20  CPU=  0
Compute Green`s funct ................................  1.9999999E-04 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 2: point  4/ 20  CPU=  0
Compute Green`s funct ................................  1.9999999E-04 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 2: point  5/ 20  CPU=  0
Compute Green`s funct ................................  9.9999997E-05 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 2: point  6/ 20  CPU=  0
Compute Green`s funct ................................  9.9999997E-05 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 2: point  7/ 20  CPU=  0
Compute Green`s funct ................................  9.9999997E-05 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 2: point  8/ 20  CPU=  0
Compute Green`s funct ................................  9.9999997E-05 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 2: point  9/ 20  CPU=  0
Compute Green`s funct ................................  9.9999997E-05 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 2: point 10/ 20  CPU=  0
Compute Green`s funct ................................  9.9999997E-05 sec
Density matrix update ................................  9.9999997E-05 sec
INTEGRAL 2: point 11/ 20  CPU=  0
Compute Green`s funct ................................  9.9999997E-05 sec
Density matrix update ................................  9.9999997E-05 sec
INTEGRAL 2: point 12/ 20  CPU=  0
Compute Green`s funct ................................  1.9999999E-04 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 2: point 13/ 20  CPU=  0
Compute Green`s funct ................................  1.9999999E-04 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 2: point 14/ 20  CPU=  0
Compute Green`s funct ................................  9.9999997E-05 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 2: point 15/ 20  CPU=  0
Compute Green`s funct ................................  9.9999997E-05 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 2: point 16/ 20  CPU=  0
Compute Green`s funct ................................  9.9999997E-05 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 2: point 17/ 20  CPU=  0
Compute Green`s funct ................................  9.9999997E-05 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 2: point 18/ 20  CPU=  0
Compute Green`s funct ................................  9.9999997E-05 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 2: point 19/ 20  CPU=  0
Compute Green`s funct ................................  9.9999997E-05 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 2: point 20/ 20  CPU=  0
Compute Green`s funct ................................  9.9999997E-05 sec
Density matrix update ................................  9.9999997E-05 sec
=========================================================================
Average number of decimation iter.:  0.000
current memory allocated:    34.35 Mb
   peak memory allocated:   250.17 Mb
 
scfsum:    5   -0.32073723E+01    0.29027734E-06    0.95782269E-05
=========================================================================
                    SOLVING POISSON EQUATION             
=========================================================================
Building charge density ..............................  0.2211000     sec
Solving Poisson equation .............................   5.772300     sec
 -------------------------------------------------------------------------
 relative error obtained =  2.819911660267578E-008
 number of cycles executed =  3/ 40
 -------------------------------------------------------------------------
Computing Hamiltonian shifts .........................  0.1233000     sec
*************************************************************************
 Saving charge density and potential ...
*************************************************************************
 number of blocks:           1
 indeces of molecular blocks:
           1           9
 Interacting blocks:
 
 Indeces of interacting blocks:
 
=========================================================================
           COMPUTING DENSITY MATRIX - Complex Integration
=========================================================================
INTEGRAL 1: point  1/ 20  CPU=  0
Compute Green`s funct ................................  1.9999999E-04 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 1: point  2/ 20  CPU=  0
Compute Green`s funct ................................  1.9999999E-04 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 1: point  3/ 20  CPU=  0
Compute Green`s funct ................................  1.9999999E-04 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 1: point  4/ 20  CPU=  0
Compute Green`s funct ................................  1.9999999E-04 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 1: point  5/ 20  CPU=  0
Compute Green`s funct ................................  1.9999999E-04 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 1: point  6/ 20  CPU=  0
Compute Green`s funct ................................  1.9999999E-04 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 1: point  7/ 20  CPU=  0
Compute Green`s funct ................................  1.9999999E-04 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 1: point  8/ 20  CPU=  0
Compute Green`s funct ................................  1.9999999E-04 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 1: point  9/ 20  CPU=  0
Compute Green`s funct ................................  1.9999999E-04 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 1: point 10/ 20  CPU=  0
Compute Green`s funct ................................  1.9999999E-04 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 1: point 11/ 20  CPU=  0
Compute Green`s funct ................................  1.9999999E-04 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 1: point 12/ 20  CPU=  0
Compute Green`s funct ................................  1.9999999E-04 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 1: point 13/ 20  CPU=  0
Compute Green`s funct ................................  1.9999999E-04 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 1: point 14/ 20  CPU=  0
Compute Green`s funct ................................  1.9999999E-04 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 1: point 15/ 20  CPU=  0
Compute Green`s funct ................................  1.9999999E-04 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 1: point 16/ 20  CPU=  0
Compute Green`s funct ................................  9.9999997E-05 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 1: point 17/ 20  CPU=  0
Compute Green`s funct ................................  9.9999997E-05 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 1: point 18/ 20  CPU=  0
Compute Green`s funct ................................  9.9999997E-05 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 1: point 19/ 20  CPU=  0
Compute Green`s funct ................................  9.9999997E-05 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 1: point 20/ 20  CPU=  0
Compute Green`s funct ................................  9.9999997E-05 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 2: point  1/ 20  CPU=  0
Compute Green`s funct ................................  1.9999999E-04 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 2: point  2/ 20  CPU=  0
Compute Green`s funct ................................  1.9999999E-04 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 2: point  3/ 20  CPU=  0
Compute Green`s funct ................................  1.9999999E-04 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 2: point  4/ 20  CPU=  0
Compute Green`s funct ................................  1.9999999E-04 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 2: point  5/ 20  CPU=  0
Compute Green`s funct ................................  1.9999999E-04 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 2: point  6/ 20  CPU=  0
Compute Green`s funct ................................  1.9999999E-04 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 2: point  7/ 20  CPU=  0
Compute Green`s funct ................................  1.9999999E-04 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 2: point  8/ 20  CPU=  0
Compute Green`s funct ................................  1.9999999E-04 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 2: point  9/ 20  CPU=  0
Compute Green`s funct ................................  1.9999999E-04 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 2: point 10/ 20  CPU=  0
Compute Green`s funct ................................  1.9999999E-04 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 2: point 11/ 20  CPU=  0
Compute Green`s funct ................................  1.9999999E-04 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 2: point 12/ 20  CPU=  0
Compute Green`s funct ................................  9.9999997E-05 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 2: point 13/ 20  CPU=  0
Compute Green`s funct ................................  9.9999997E-05 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 2: point 14/ 20  CPU=  0
Compute Green`s funct ................................  9.9999997E-05 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 2: point 15/ 20  CPU=  0
Compute Green`s funct ................................  9.9999997E-05 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 2: point 16/ 20  CPU=  0
Compute Green`s funct ................................  9.9999997E-05 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 2: point 17/ 20  CPU=  0
Compute Green`s funct ................................  9.9999997E-05 sec
Density matrix update ................................  9.9999997E-05 sec
INTEGRAL 2: point 18/ 20  CPU=  0
Compute Green`s funct ................................  9.9999997E-05 sec
Density matrix update ................................  9.9999997E-05 sec
INTEGRAL 2: point 19/ 20  CPU=  0
Compute Green`s funct ................................  9.9999997E-05 sec
Density matrix update ................................  9.9999997E-05 sec
INTEGRAL 2: point 20/ 20  CPU=  0
Compute Green`s funct ................................  9.9999997E-05 sec
Density matrix update ................................  9.9999997E-05 sec
=========================================================================
Average number of decimation iter.:  0.000
current memory allocated:    34.35 Mb
   peak memory allocated:   250.17 Mb
 
scfsum:    6   -0.32073723E+01   -0.47496895E-09    0.26264497E-06
=========================================================================
                    SOLVING POISSON EQUATION             
=========================================================================
Building charge density ..............................  0.2320000     sec
Solving Poisson equation .............................   3.873400     sec
 -------------------------------------------------------------------------
 relative error obtained =  2.436724491085929E-008
 number of cycles executed =  2/ 40
 -------------------------------------------------------------------------
Computing Hamiltonian shifts .........................  0.1245000     sec
*************************************************************************
 Saving charge density and potential ...
*************************************************************************
 number of blocks:           1
 indeces of molecular blocks:
           1           9
 Interacting blocks:
 
 Indeces of interacting blocks:
 
=========================================================================
           COMPUTING DENSITY MATRIX - Complex Integration
=========================================================================
INTEGRAL 1: point  1/ 20  CPU=  0
Compute Green`s funct ................................  1.9999999E-04 sec
Density matrix update ................................  9.9999997E-05 sec
INTEGRAL 1: point  2/ 20  CPU=  0
Compute Green`s funct ................................  9.9999997E-05 sec
Density matrix update ................................  9.9999997E-05 sec
INTEGRAL 1: point  3/ 20  CPU=  0
Compute Green`s funct ................................  9.9999997E-05 sec
Density matrix update ................................  9.9999997E-05 sec
INTEGRAL 1: point  4/ 20  CPU=  0
Compute Green`s funct ................................  9.9999997E-05 sec
Density matrix update ................................  9.9999997E-05 sec
INTEGRAL 1: point  5/ 20  CPU=  0
Compute Green`s funct ................................  9.9999997E-05 sec
Density matrix update ................................  9.9999997E-05 sec
INTEGRAL 1: point  6/ 20  CPU=  0
Compute Green`s funct ................................  6.0000003E-04 sec
Density matrix update ................................  9.9999997E-05 sec
INTEGRAL 1: point  7/ 20  CPU=  0
Compute Green`s funct ................................  9.9999997E-05 sec
Density matrix update ................................  9.9999997E-05 sec
INTEGRAL 1: point  8/ 20  CPU=  0
Compute Green`s funct ................................  9.9999997E-05 sec
Density matrix update ................................  9.9999997E-05 sec
INTEGRAL 1: point  9/ 20  CPU=  0
Compute Green`s funct ................................  9.9999997E-05 sec
Density matrix update ................................  9.9999997E-05 sec
INTEGRAL 1: point 10/ 20  CPU=  0
Compute Green`s funct ................................  9.9999997E-05 sec
Density matrix update ................................  9.9999997E-05 sec
INTEGRAL 1: point 11/ 20  CPU=  0
Compute Green`s funct ................................  9.9999997E-05 sec
Density matrix update ................................  9.9999997E-05 sec
INTEGRAL 1: point 12/ 20  CPU=  0
Compute Green`s funct ................................  9.9999997E-05 sec
Density matrix update ................................  9.9999997E-05 sec
INTEGRAL 1: point 13/ 20  CPU=  0
Compute Green`s funct ................................  9.9999997E-05 sec
Density matrix update ................................  9.9999997E-05 sec
INTEGRAL 1: point 14/ 20  CPU=  0
Compute Green`s funct ................................  9.9999997E-05 sec
Density matrix update ................................  9.9999997E-05 sec
INTEGRAL 1: point 15/ 20  CPU=  0
Compute Green`s funct ................................  9.9999997E-05 sec
Density matrix update ................................  9.9999997E-05 sec
INTEGRAL 1: point 16/ 20  CPU=  0
Compute Green`s funct ................................  9.9999997E-05 sec
Density matrix update ................................  9.9999997E-05 sec
INTEGRAL 1: point 17/ 20  CPU=  0
Compute Green`s funct ................................  9.9999997E-05 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 1: point 18/ 20  CPU=  0
Compute Green`s funct ................................  9.9999997E-05 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 1: point 19/ 20  CPU=  0
Compute Green`s funct ................................  9.9999997E-05 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 1: point 20/ 20  CPU=  0
Compute Green`s funct ................................  9.9999997E-05 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 2: point  1/ 20  CPU=  0
Compute Green`s funct ................................  1.9999999E-04 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 2: point  2/ 20  CPU=  0
Compute Green`s funct ................................  1.9999999E-04 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 2: point  3/ 20  CPU=  0
Compute Green`s funct ................................  1.9999999E-04 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 2: point  4/ 20  CPU=  0
Compute Green`s funct ................................  1.9999999E-04 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 2: point  5/ 20  CPU=  0
Compute Green`s funct ................................  9.9999997E-05 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 2: point  6/ 20  CPU=  0
Compute Green`s funct ................................  9.9999997E-05 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 2: point  7/ 20  CPU=  0
Compute Green`s funct ................................  9.9999997E-05 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 2: point  8/ 20  CPU=  0
Compute Green`s funct ................................  9.9999997E-05 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 2: point  9/ 20  CPU=  0
Compute Green`s funct ................................  9.9999997E-05 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 2: point 10/ 20  CPU=  0
Compute Green`s funct ................................  9.9999997E-05 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 2: point 11/ 20  CPU=  0
Compute Green`s funct ................................  9.9999997E-05 sec
Density matrix update ................................  9.9999997E-05 sec
INTEGRAL 2: point 12/ 20  CPU=  0
Compute Green`s funct ................................  9.9999997E-05 sec
Density matrix update ................................  9.9999997E-05 sec
INTEGRAL 2: point 13/ 20  CPU=  0
Compute Green`s funct ................................  9.9999997E-05 sec
Density matrix update ................................  9.9999997E-05 sec
INTEGRAL 2: point 14/ 20  CPU=  0
Compute Green`s funct ................................  9.9999997E-05 sec
Density matrix update ................................  9.9999997E-05 sec
INTEGRAL 2: point 15/ 20  CPU=  0
Compute Green`s funct ................................  9.9999997E-05 sec
Density matrix update ................................  9.9999997E-05 sec
INTEGRAL 2: point 16/ 20  CPU=  0
Compute Green`s funct ................................  9.9999997E-05 sec
Density matrix update ................................  9.9999997E-05 sec
INTEGRAL 2: point 17/ 20  CPU=  0
Compute Green`s funct ................................  9.9999997E-05 sec
Density matrix update ................................  9.9999997E-05 sec
INTEGRAL 2: point 18/ 20  CPU=  0
Compute Green`s funct ................................  9.9999997E-05 sec
Density matrix update ................................  9.9999997E-05 sec
INTEGRAL 2: point 19/ 20  CPU=  0
Compute Green`s funct ................................  9.9999997E-05 sec
Density matrix update ................................  9.9999997E-05 sec
INTEGRAL 2: point 20/ 20  CPU=  0
Compute Green`s funct ................................  9.9999997E-05 sec
Density matrix update ................................  9.9999997E-05 sec
=========================================================================
Average number of decimation iter.:  0.000
current memory allocated:    34.35 Mb
   peak memory allocated:   250.17 Mb
 
scfsum:    7   -0.32073723E+01    0.59146021E-10    0.12125096E-06
=========================================================================
                    SOLVING POISSON EQUATION             
=========================================================================
Building charge density ..............................  0.2110000     sec
Solving Poisson equation .............................   3.874300     sec
 -------------------------------------------------------------------------
 relative error obtained =  1.208251951215888E-008
 number of cycles executed =  2/ 40
 -------------------------------------------------------------------------
Computing Hamiltonian shifts .........................  0.1233000     sec
*************************************************************************
 Saving charge density and potential ...
*************************************************************************
 number of blocks:           1
 indeces of molecular blocks:
           1           9
 Interacting blocks:
 
 Indeces of interacting blocks:
 
=========================================================================
           COMPUTING DENSITY MATRIX - Complex Integration
=========================================================================
INTEGRAL 1: point  1/ 20  CPU=  0
Compute Green`s funct ................................  1.9999999E-04 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 1: point  2/ 20  CPU=  0
Compute Green`s funct ................................  1.9999999E-04 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 1: point  3/ 20  CPU=  0
Compute Green`s funct ................................  1.9999999E-04 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 1: point  4/ 20  CPU=  0
Compute Green`s funct ................................  1.9999999E-04 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 1: point  5/ 20  CPU=  0
Compute Green`s funct ................................  1.9999999E-04 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 1: point  6/ 20  CPU=  0
Compute Green`s funct ................................  1.9999999E-04 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 1: point  7/ 20  CPU=  0
Compute Green`s funct ................................  9.9999997E-05 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 1: point  8/ 20  CPU=  0
Compute Green`s funct ................................  9.9999997E-05 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 1: point  9/ 20  CPU=  0
Compute Green`s funct ................................  9.9999997E-05 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 1: point 10/ 20  CPU=  0
Compute Green`s funct ................................  9.9999997E-05 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 1: point 11/ 20  CPU=  0
Compute Green`s funct ................................  9.9999997E-05 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 1: point 12/ 20  CPU=  0
Compute Green`s funct ................................  9.9999997E-05 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 1: point 13/ 20  CPU=  0
Compute Green`s funct ................................  9.9999997E-05 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 1: point 14/ 20  CPU=  0
Compute Green`s funct ................................  9.9999997E-05 sec
Density matrix update ................................  9.9999997E-05 sec
INTEGRAL 1: point 15/ 20  CPU=  0
Compute Green`s funct ................................  9.9999997E-05 sec
Density matrix update ................................  9.9999997E-05 sec
INTEGRAL 1: point 16/ 20  CPU=  0
Compute Green`s funct ................................  9.9999997E-05 sec
Density matrix update ................................  9.9999997E-05 sec
INTEGRAL 1: point 17/ 20  CPU=  0
Compute Green`s funct ................................  9.9999997E-05 sec
Density matrix update ................................  9.9999997E-05 sec
INTEGRAL 1: point 18/ 20  CPU=  0
Compute Green`s funct ................................  9.9999997E-05 sec
Density matrix update ................................  9.9999997E-05 sec
INTEGRAL 1: point 19/ 20  CPU=  0
Compute Green`s funct ................................  9.9999997E-05 sec
Density matrix update ................................  9.9999997E-05 sec
INTEGRAL 1: point 20/ 20  CPU=  0
Compute Green`s funct ................................  9.9999997E-05 sec
Density matrix update ................................  9.9999997E-05 sec
INTEGRAL 2: point  1/ 20  CPU=  0
Compute Green`s funct ................................  1.9999999E-04 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 2: point  2/ 20  CPU=  0
Compute Green`s funct ................................  1.9999999E-04 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 2: point  3/ 20  CPU=  0
Compute Green`s funct ................................  9.9999997E-05 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 2: point  4/ 20  CPU=  0
Compute Green`s funct ................................  9.9999997E-05 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 2: point  5/ 20  CPU=  0
Compute Green`s funct ................................  9.9999997E-05 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 2: point  6/ 20  CPU=  0
Compute Green`s funct ................................  9.9999997E-05 sec
Density matrix update ................................  9.9999997E-05 sec
INTEGRAL 2: point  7/ 20  CPU=  0
Compute Green`s funct ................................  9.9999997E-05 sec
Density matrix update ................................  9.9999997E-05 sec
INTEGRAL 2: point  8/ 20  CPU=  0
Compute Green`s funct ................................  9.9999997E-05 sec
Density matrix update ................................  9.9999997E-05 sec
INTEGRAL 2: point  9/ 20  CPU=  0
Compute Green`s funct ................................  9.9999997E-05 sec
Density matrix update ................................  9.9999997E-05 sec
INTEGRAL 2: point 10/ 20  CPU=  0
Compute Green`s funct ................................  9.9999997E-05 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 2: point 11/ 20  CPU=  0
Compute Green`s funct ................................  9.9999997E-05 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 2: point 12/ 20  CPU=  0
Compute Green`s funct ................................  9.9999997E-05 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 2: point 13/ 20  CPU=  0
Compute Green`s funct ................................  9.9999997E-05 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 2: point 14/ 20  CPU=  0
Compute Green`s funct ................................  9.9999997E-05 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 2: point 15/ 20  CPU=  0
Compute Green`s funct ................................  1.9999999E-04 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 2: point 16/ 20  CPU=  0
Compute Green`s funct ................................  1.9999999E-04 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 2: point 17/ 20  CPU=  0
Compute Green`s funct ................................  1.9999999E-04 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 2: point 18/ 20  CPU=  0
Compute Green`s funct ................................  1.9999999E-04 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 2: point 19/ 20  CPU=  0
Compute Green`s funct ................................  1.9999999E-04 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 2: point 20/ 20  CPU=  0
Compute Green`s funct ................................  1.9999999E-04 sec
Density matrix update ................................  0.0000000E+00 sec
=========================================================================
Average number of decimation iter.:  0.000
current memory allocated:    34.35 Mb
   peak memory allocated:   250.17 Mb
 
scfsum:    8   -0.32073723E+01   -0.24176217E-10    0.92159613E-11
>> Charges saved for restart in charges.bin
 
 Total Energy:                          -3.218262
 Total Mermin free energy:              -3.218262
*************************************************************************
 number of blocks:           1
 indeces of molecular blocks:
           1           9
 Interacting blocks:
 
 Indeces of interacting blocks:
 
=========================================================================
           COMPUTING DENSITY MATRIX - Complex Integration
=========================================================================
INTEGRAL 1: point  1/ 20  CPU=  0
Compute Green`s funct ................................  1.9999999E-04 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 1: point  2/ 20  CPU=  0
Compute Green`s funct ................................  1.9999999E-04 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 1: point  3/ 20  CPU=  0
Compute Green`s funct ................................  1.9999999E-04 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 1: point  4/ 20  CPU=  0
Compute Green`s funct ................................  9.9999997E-05 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 1: point  5/ 20  CPU=  0
Compute Green`s funct ................................  9.9999997E-05 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 1: point  6/ 20  CPU=  0
Compute Green`s funct ................................  9.9999997E-05 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 1: point  7/ 20  CPU=  0
Compute Green`s funct ................................  9.9999997E-05 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 1: point  8/ 20  CPU=  0
Compute Green`s funct ................................  9.9999997E-05 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 1: point  9/ 20  CPU=  0
Compute Green`s funct ................................  9.9999997E-05 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 1: point 10/ 20  CPU=  0
Compute Green`s funct ................................  9.9999997E-05 sec
Density matrix update ................................  9.9999997E-05 sec
INTEGRAL 1: point 11/ 20  CPU=  0
Compute Green`s funct ................................  9.9999997E-05 sec
Density matrix update ................................  9.9999997E-05 sec
INTEGRAL 1: point 12/ 20  CPU=  0
Compute Green`s funct ................................  9.9999997E-05 sec
Density matrix update ................................  9.9999997E-05 sec
INTEGRAL 1: point 13/ 20  CPU=  0
Compute Green`s funct ................................  9.9999997E-05 sec
Density matrix update ................................  9.9999997E-05 sec
INTEGRAL 1: point 14/ 20  CPU=  0
Compute Green`s funct ................................  9.9999997E-05 sec
Density matrix update ................................  9.9999997E-05 sec
INTEGRAL 1: point 15/ 20  CPU=  0
Compute Green`s funct ................................  9.9999997E-05 sec
Density matrix update ................................  9.9999997E-05 sec
INTEGRAL 1: point 16/ 20  CPU=  0
Compute Green`s funct ................................  9.9999997E-05 sec
Density matrix update ................................  9.9999997E-05 sec
INTEGRAL 1: point 17/ 20  CPU=  0
Compute Green`s funct ................................  9.9999997E-05 sec
Density matrix update ................................  9.9999997E-05 sec
INTEGRAL 1: point 18/ 20  CPU=  0
Compute Green`s funct ................................  9.9999997E-05 sec
Density matrix update ................................  9.9999997E-05 sec
INTEGRAL 1: point 19/ 20  CPU=  0
Compute Green`s funct ................................  9.9999997E-05 sec
Density matrix update ................................  9.9999997E-05 sec
INTEGRAL 1: point 20/ 20  CPU=  0
Compute Green`s funct ................................  9.9999997E-05 sec
Density matrix update ................................  9.9999997E-05 sec
INTEGRAL 2: point  1/ 20  CPU=  0
Compute Green`s funct ................................  1.9999999E-04 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 2: point  2/ 20  CPU=  0
Compute Green`s funct ................................  1.9999999E-04 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 2: point  3/ 20  CPU=  0
Compute Green`s funct ................................  1.9999999E-04 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 2: point  4/ 20  CPU=  0
Compute Green`s funct ................................  1.9999999E-04 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 2: point  5/ 20  CPU=  0
Compute Green`s funct ................................  1.9999999E-04 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 2: point  6/ 20  CPU=  0
Compute Green`s funct ................................  1.9999999E-04 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 2: point  7/ 20  CPU=  0
Compute Green`s funct ................................  1.9999999E-04 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 2: point  8/ 20  CPU=  0
Compute Green`s funct ................................  1.9999999E-04 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 2: point  9/ 20  CPU=  0
Compute Green`s funct ................................  1.9999999E-04 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 2: point 10/ 20  CPU=  0
Compute Green`s funct ................................  1.9999999E-04 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 2: point 11/ 20  CPU=  0
Compute Green`s funct ................................  1.9999999E-04 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 2: point 12/ 20  CPU=  0
Compute Green`s funct ................................  1.9999999E-04 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 2: point 13/ 20  CPU=  0
Compute Green`s funct ................................  1.9999999E-04 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 2: point 14/ 20  CPU=  0
Compute Green`s funct ................................  1.9999999E-04 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 2: point 15/ 20  CPU=  0
Compute Green`s funct ................................  1.9999999E-04 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 2: point 16/ 20  CPU=  0
Compute Green`s funct ................................  1.9999999E-04 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 2: point 17/ 20  CPU=  0
Compute Green`s funct ................................  1.9999999E-04 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 2: point 18/ 20  CPU=  0
Compute Green`s funct ................................  1.9999999E-04 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 2: point 19/ 20  CPU=  0
Compute Green`s funct ................................  1.9999999E-04 sec
Density matrix update ................................  0.0000000E+00 sec
INTEGRAL 2: point 20/ 20  CPU=  0
Compute Green`s funct ................................  1.9999999E-04 sec
Density matrix update ................................  0.0000000E+00 sec
=========================================================================
Average number of decimation iter.:  0.000
current memory allocated:    34.35 Mb
   peak memory allocated:   250.17 Mb
 
 (debug) poisson forces
*************************************************************************
 (debug) after poisson forces
   peak memory allocated:   250.17 Mb
current memory allocated:     5.56 kb
