CASINO v3.1.24 (August 2026)
Running on vladimir-kubuntu [linuxpc-gcc-parallel.openblas]
Binary compiled in opt mode
Job started: Вт 25 авг 2026 14:11:26 +07
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                              Quantum Monte Carlo
                          CASINO v3.1.24 (August 2026)

    Main Authors : R.J. Needs, M.D. Towler, N.D. Drummond, and P. Lopez Rios

       Required citation in publications arising from the use of CASINO:
     R.J. Needs, M.D. Towler, N.D. Drummond, P. Lopez Rios, and J.R. Trail,
                       J. Chem. Phys. 152, 154106 (2020).
                       https://doi.org/10.1063/1.5144288

                 CASINO web page: https://vallico.net/casinoqmc

                      Current contact: mdt26 at cantab.net

 ------------------------------------------------------------------------------
 Started 2026/08/25 14:11:26.661

 Running in parallel using 4 MPI processes.

 General input parameters
 ========================
 NEU (num up spin electrons)              :  4
 NED (num down spin electrons)            :  2
 RUNTYPE (type of run)                    :  vmc_opt
 PSI_S  (form for [anti]symmetrizing wfn) :  slater
 ATOM_BASIS_TYPE (atom-centred orb basis) :  gaussian
 INTERACTION (interaction type)           :  coulomb
 TESTRUN (read input data,print and stop) :  F
 PERIODIC                                 :  F
 COMPLEX_WF (complex Slater wave fn.)     :  F
 NEIGHPRINT (neighbour analysis)          :  0
 USE_JASTROW (use Jastrow factor)         :  T
 BACKFLOW (use backflow corrections)      :  T
 DBARRC (DBAR recalculation period)       :  100000
 USE_ORBMODS (use orbital modifications)  :  F
 CUSP_CORRECTION                          :  T
 MOLGSCREENING                            :  F
 USE_DETLA (DLA approx. to NL PP)         :  F
 NON_LOCAL_GRID (NL integration grid)     :  4
 E_OFFSET (energy offset)                 :  0.0000
 ESUPERCELL                               :  F
 GAUTOL  (Gaussian evaluation tolerance)  :  7.0
 SPARSE                                   :  F
 DIPOLE_MOMENT                            :  F
 CHECKPOINT (checkpointing level)         :  1
 CHECKPOINT_NCPU (chkpnt group size)      :  4
 CON_LOC (Dir to read/write config.*)     :  ./
 RELATIVISTIC                             :  F

 VMC/optimization input parameters
 =================================
 NEWRUN (start new run)                   :  T
 VMC_METHOD (choice of VMC algorithm)     :  3
 DTVMC (VMC time step)                    :  1.0000E-02
 OPT_DTVMC (VMC time-step optimization)   :  1
 VMC_NSTEP (num VMC steps)                :  2000
 VMC_NCONFIG_WRITE (num configs to write) :  2000
 VMC_NBLOCK (num VMC blocks)              :  1
 VMC_EQUIL_NSTEP (num equil steps)        :  5000
 VMC_DECORR_PERIOD (length of inner loop) :  10
 VMC_AVE_PERIOD (hist reduction factor)   :  1
 VMC_SAMPLING                             :  standard
 MAKEMOVIE                                :  F
 FORCES                                   :  F
 OPT_CYCLES (num optimization cycles)     :  2
 POSTFIT_VMC (perform post-fit VMC calc)  :  T
 POSTFIT_KEEP_CFG (keep post-fit VMC cfgs):  F
 OPT_NOCTF_CYCLES (fixed cutoff cycles)   :  0
 OPT_INFO (information level)             :  2
 OPT_JASTROW (opt Jastrow factor)         :  T
 OPT_DET_COEFF (opt det coeffs)           :  F
 OPT_ORBITALS (opt orbitals)              :  F
 OPT_BACKFLOW (opt backflow params)       :  T
 OPT_FIXNL (fix nonlocal energy)          :  T
 OPT_MAXITER (max num iterations)         :  10
 OPT_MAXEVAL (max num evaluations)        :  200
 VM_SMOOTH_LIMITS (smooth limiting)       :  T
 VM_REWEIGHT (reweighting)                :  F
 VM_FILTER (filter outlying configs)      :  F
 VM_ECENTRE (central eloc)                :  default
 EMIN_XI_VALUE (xi parameter)             :  1.0
 EMIN_OPT_VARIANCE (opt. var. not energy) :  F

 Particles
 =========
 Particle name                 Charge        Mass         Spin   Type
 -------------------------------------------------------------------------
 1: Spin-up electron          -1.00000       1.0000000     0.5   Fermion
 2: Spin-down electron        -1.00000       1.0000000    -0.5   Fermion
 -------------------------------------------------------------------------

 Number of diffusion types : 2

 Single-particle groupings
 -------------------------
 Spin dep. 0 : (1,2) [F] [E]
 Spin dep. 1 : (1) (2)

 NB, partitions defining spin-[F]amilies and [E]quivalent particles flagged.

 Particle-pair groupings
 -----------------------
 Spin-pair dep. 0 : (1-1,1-2,2-2)
 Spin-pair dep. 1 : (1-1,2-2) (1-2)
 Spin-pair dep. 2 : (1-1) (1-2) (2-2)

 Initialize random number generator
 ==================================
 Generator                                 :  RANLUX
 RANLUX luxury level                       :  3
 p value                                   :  223
 Value of random seed on MPI process 0     :  314159265

 Initialized from standard internal seed.

 Reading correlation.data
 ========================
 Header:
   No title given.
 Version of correlation.data : 1
 A Jastrow factor is present in correlation.data.
 A backflow function is present in correlation.data.

 No multideterminant/excitation data supplied.
 Using ground state defined in xwfn.data file.

 Reading Gaussian wave function and associated data
 ==================================================

 Title: TITLE

 Generating code                           :  molden2qmc version: 4.0.4
 Method                                    :
 DFT functional                            :
 Periodicity                               :  0 (molecule)
 Spin restricted?                          :  Yes

 Total number of electrons                 :  6

 Basis set information

 Number of atoms                           :  1
 Number of shells                          :  19
 Number of basis fns                       :  79
 Number of primitives                      :  37
 Highest ang momentum                      :  5

 Gaussian basis sets:
 ------------------------------------------------------------------
   Atom  x(au)  y(au)  z(au)    No. Type  Exponent    Coefficients
 ------------------------------------------------------------------
   1 O     0.000    0.000    0.000
                             1-   1  s
                                         5.803E+01    -3.883E-02
                                         3.624E+01     2.090E-01
                                         2.266E+01    -6.077E-01
                                         1.417E+01     1.087E+00
                                         8.768E+00    -8.901E-01
                                         3.442E+00    -1.514E-01
                                         2.300E+00     1.461E-01
                                         9.658E-01     2.939E-01
                                         4.056E-01     1.768E-01
                                         1.703E-01     3.036E-02
                             2-   4  p
                                         5.321E+01    -3.064E-01
                                         3.308E+01     1.065E+00
                                         2.060E+01    -2.209E+00
                                         1.289E+01     2.300E+00
                                         5.611E+00     1.061E+00
                                         3.519E+00     1.162E-01
                                         2.207E+00     9.422E-01
                                         8.669E-01     4.605E-01
                                         3.406E-01     1.262E-01
                                         1.338E-01     1.571E-02
                             5-   5  s
                                         1.695E+00     1.059E+00
                             6-   6  s
                                         6.124E-01     4.934E-01
                             7-   7  s
                                         2.212E-01     2.299E-01
                             8-  10  p
                                         1.358E+00     2.089E+00
                            11-  13  p
                                         4.712E-01     5.565E-01
                            14-  16  p
                                         1.635E-01     1.482E-01
                            17-  21  d
                                         3.661E+00     1.595E+01
                            22-  26  d
                                         1.277E+00     2.524E+00
                            27-  31  d
                                         4.453E-01     3.995E-01
                            32-  38  f
                                         2.614E+00     1.279E+01
                            39-  45  f
                                         8.513E-01     1.025E+00
                            46-  54  g
                                         1.838E+00     5.935E+00
                            55-  55  s
                                         8.840E-02     1.155E-01
                            56-  58  p
                                         5.360E-02     3.676E-02
                            59-  63  d
                                         1.471E-01     5.751E-02
                            64-  70  f
                                         3.124E-01     1.074E-01
                            71-  79  g
                                         7.018E-01     4.203E-01
 ------------------------------------------------------------------
 Single determinant :

 Det 1 spin 1           : ground state
 Det 1 spin 2           : ground state
 Det 1 coefficient      : 1.00000000

 Pseudopotentials
 ================

 Ion type 1, atomic no 8, file=o_pp.data
 Title:  HF Pseudopotential in real space for O

 Number of grid points                   :  1561
 Pseudo-charge                           :  6.0
 Local cutoff radius (au)                :  1.147248
 Non-local cutoff radius (au)            :  1.147248
 Local potential angular momentum        :  2
 Deviation from z/r at cutoff radius     :  0.2684855740E-05
 Non-local potential angular momentum    :  0
 Deviation from vlocal at cutoff radius  :  0.4920535889E-05
 Non-local potential angular momentum    :  1
 Deviation from vlocal at cutoff radius  :  0.4920535889E-05

 Geometry derived from information in gwfn.data
 ==============================================

 Simulation cell : Finite (atomic/molecular geometry)

 Atom Atno  Type              Position (Cartesian au)
 -------------------------------------------------------------
    1   8   1         0.00000000     0.00000000     0.00000000


 Expectation values
 ==================
 None requested.

 Interactions
 ============
 Interaction type: Coulomb
 System is aperiodic. Using 1/r only.

 Jastrow factor
 ==============
 Reading Jastrow factor from correlation.data file.

 Title: Be atom

 Truncation order                   :  3

 U term:
  SET 1
   Spherical harmonic l             :  0
   Spherical harmonic m             :  0
   Expansion order (N_u)            :  8
   Spin dependence                  :  1
   Cutoff             (optimizable) :  5.000000000000000E+00
   Not all coefficients supplied: rest assumed to be zero.
   No. of parameters in set         :  16
   (In addition to the cutoff length.)

 Chi term:
  Number of sets                    :  1
  SET 1:
   Spherical harmonic l             :  0
   Spherical harmonic m             :  0
   Number of atoms in set           :  1
   The atoms are:
    1
   Electron-nucleus cusp not imposed in Jastrow Chi term
   Expansion order (N_chi)          :  8
   Spin dependence                  :  0
   Cutoff             (optimizable) :  4.000000000000000E+00
   Not all coefficients supplied: rest assumed to be zero.
   No. of parameters in set         :  8
   (In addition to the cutoff length.)

 F term:
  Number of sets                    :  1
  SET 1:
   Number of atoms in set           :  1
   The atoms are:
    1
   No constraints applied to avoid duplicating u.
   No constraints applied to avoid duplicating chi.
   Expansion order (N_f_eN)         :  3
   Expansion order (N_f_ee)         :  3
   Spin dependence                  :  1
   Cutoff             (optimizable) :  4.000000000000000E+00
   Not all coefficients supplied: rest assumed to be zero.
   No. of parameters in set         :  52
   (In addition to the cutoff length.)

 Finished reading Jastrow factor from correlation.data.

 Imposed symmetry and no-cusp constraints on gamma array.
 Checked that gamma array satisfies its constraints.
 Polynomials constructed.
 Checked that cusp and cutoff conditions are satisfied.

 Finished Jastrow setup.

 Initial Jastrow set is empty.
 Will not use a Jastrow factor until needed.

 Backflow setup
 ==============
 Reading correlation.data file.

 Backflow function:
  Title:  No title given.
  Truncation order       :  3
  Discontinuities        :  None

  Eta term:
   Expansion order       :  9
   Spin dependence       :  1
   Cutoff for s=1  (opt) :  5.000000000000
   Cutoff for s=2  (opt) :  5.000000000000
   No. of free params    :  19 + 2 cut-off lengths
   Unspecified params    :  Zeroed

  Mu term:
   Number of sets        :  1
   Set 1
    Atoms in set         :  1
    The atoms are        :  1
    Type of cusp conds.  :  PP / cuspless AE
    Expansion order      :  9
    Spin dependence      :  0
    Cutoff (optimizable) :  4.000000000000
    No. of free params   :  9 + cut-off length
    Unspecified params   :  Zeroed
   Completeness of mu    :  All atoms included

  Phi term:
   Number of sets        :  1
   Set 1
    Atoms in set         :  1
    The atoms are        :  1
    Type of cusp conds.  :  PP / cuspless AE
    Irrotational constr. :  Not applied
    Expansion order e-N  :  3
    Expansion order e-e  :  3
    Spin dependence      :  1
    Cutoff (optimizable) :  4.000000000000
    No. of free params   :  193 + cut-off length
    Unspecified params   :  Zeroed
   Completeness of Phi   :  All atoms included

 Finished reading backflow functions from correlation.data.

 Allocated work arrays, using 9.04 KiB.
 Imposed e-e and e-N cusp conditions and checked them.

 Finished backflow setup.

 Initial backflow set is empty.
 Will not use backflow until needed.

 Non-local integration grids
 ===========================
 Ion type            :  1
 Non-local grid no.  :  4
 Lexact              :  5
 Number of points    :  12


 Setup complete.

 Time taken in setup    : : :        0.0200 s

 Writing parameters to correlation.out.0.

 =========================================================
 PERFORMING VMC CONFIGURATION-GENERATION CALCULATION No. 1
 =========================================================


 BEGIN VMC CALCULATION
 =====================

 Running VMC equilibration (5000 moves).
  Performing time-step optimization.
  Optimized DTVMC:  2.5509E-02
 Done. [total CPU time: 0s]

 Kinetic energy check performed.
  Slater determinants - gradient: optimal, Laplacian: optimal.
 End of report.

 Starting VMC.

 =========================================================================
 In block : 1

 Acceptance ratio         (%)  =  51.4950
 Diffusion constant  (Bohr^2)  = 3.7655E-02
 Correlation time     (steps)  = 2.4291E+00 +- 3.6803E-01
 Efficiency      (au^-2 s^-1)  = 5.8084E+03
 No. of VMC steps per process  = 500

  Block average energies (au)

  Total energy                       (au) =         -15.691957853568
  Standard error                        +/-           0.029212123845

  Kinetic energy KEI (used in Total) (au) =          11.343993890964
  Standard error                        +/-           0.156198929531

  Kinetic energy TI                  (au) =          10.966966673823
  Standard error                        +/-           0.240097202803

  Kinetic energy FISQ                (au) =          10.589939456682
  Standard error                        +/-           0.421062530925

  Potential energy                   (au) =         -27.035951744532
  Standard error                        +/-           0.158928936973

  e-e interaction                    (au) =          10.414116851777
  Standard error                        +/-           0.056174582204

  e-i interaction (local)            (au) =         -37.937318074786
  Standard error                        +/-           0.174586518731

  e-i interaction (non-local)        (au) =           0.487249478477
  Standard error                        +/-           0.098802262969

  Variance of local energy           (au) =           1.771874380075
  Standard error                        +/-           0.141711101099

  Maximum distance from origin       (au) =           5.511014338122


 Time taken in block    : : :        0.0800 s

 =========================================================================
 FINAL RESULT:

  VMC energy (au)    Standard error      Correction for serial correlation

 -15.691957853568 +/- 0.029212123845      No correction
 -15.691957853568 +/- 0.045529026869      Correlation time method
 -15.691957853569 +/- 0.038631966857      On-the-fly reblocking method

 Bad reblock convergence - probably not enough data samples.

 Dumping reblock data for energy:
      mean:    -15.691957853569 +/-       0.038631966857
    stderr:      0.038631966857 +/-       0.004966713770
    errfac:      1.322463476559 +/-       0.170022344027
    N_corr:      1.748909646832 +/-       0.449696680348
   ------------------------------------------------------
    Block len      Std error   Err in error
            1   2.921212E-02   9.246936E-04
            2   3.425761E-02   1.535120E-03
            4   3.817850E-02   2.424337E-03
            8   3.866746E-02   3.486528E-03
           16   3.863197E-02   4.966714E-03  *** BEST ***
           32   4.075880E-02   7.536304E-03
           64   4.343872E-02   1.176817E-02
          128   3.254038E-02   1.349712E-02
   ------------------------------------------------------

  Sample variance of E_L (au^2/sim.cell) : 1.771874380075

 =========================================================================


 *     *     *     *     *     *     *     *     *     *     *     *

 =========================================
 PERFORMING OPTIMIZATION CALCULATION No. 1
 =========================================

 Variance minimization configuration
 ===================================

 Random number generator reset to state in config.in.

 Number of MPI processes                               : 4
 Number of configurations per process                  : 500
 Total number of configurations                        : 2000

 Optimization workspace:
 -----------------------------------------------
 Number of variable parameters  :            297
 Number of configurations       :            500
 -----------------------------------------------
 Electron positions             :       70.3 KiB
 Other energy buffers           :       3.90 KiB
 Local energies                 :       4.54 MiB
 NL2SOL work array (real)       :       5.62 MiB
 NL2SOL work array (int)        :       1.39 KiB
 -----------------------------------------------
 Total memory required          :       10.2 MiB
 -----------------------------------------------

 Optimization start
 ==================

 Optimization monitor :
 ----------------------
 Function evaluations : 1
 NL2SOL iteration     : 0

 Current parameters:
 Be  0.00000000E+00     0.00000000E+00     0.00000000E+00     0.00000000E+00
     0.00000000E+00     0.00000000E+00     0.00000000E+00     0.00000000E+00
     0.00000000E+00     0.00000000E+00     0.00000000E+00     0.00000000E+00
     0.00000000E+00     0.00000000E+00     0.00000000E+00     0.00000000E+00
     0.00000000E+00     0.00000000E+00     0.00000000E+00 Bm  0.00000000E+00
     0.00000000E+00     0.00000000E+00     0.00000000E+00     0.00000000E+00
     0.00000000E+00     0.00000000E+00     0.00000000E+00     0.00000000E+00
 BP  0.00000000E+00     0.00000000E+00     0.00000000E+00     0.00000000E+00
     0.00000000E+00     0.00000000E+00     0.00000000E+00     0.00000000E+00
     0.00000000E+00     0.00000000E+00     0.00000000E+00     0.00000000E+00
     0.00000000E+00     0.00000000E+00     0.00000000E+00     0.00000000E+00
     0.00000000E+00     0.00000000E+00     0.00000000E+00     0.00000000E+00
     0.00000000E+00     0.00000000E+00     0.00000000E+00     0.00000000E+00
     0.00000000E+00     0.00000000E+00     0.00000000E+00     0.00000000E+00
     0.00000000E+00     0.00000000E+00     0.00000000E+00     0.00000000E+00
     0.00000000E+00     0.00000000E+00     0.00000000E+00     0.00000000E+00
     0.00000000E+00     0.00000000E+00     0.00000000E+00     0.00000000E+00
     0.00000000E+00     0.00000000E+00     0.00000000E+00     0.00000000E+00
     0.00000000E+00     0.00000000E+00     0.00000000E+00     0.00000000E+00
     0.00000000E+00     0.00000000E+00     0.00000000E+00     0.00000000E+00
     0.00000000E+00     0.00000000E+00     0.00000000E+00     0.00000000E+00
     0.00000000E+00     0.00000000E+00     0.00000000E+00     0.00000000E+00
     0.00000000E+00     0.00000000E+00     0.00000000E+00     0.00000000E+00
     0.00000000E+00     0.00000000E+00     0.00000000E+00     0.00000000E+00
     0.00000000E+00     0.00000000E+00     0.00000000E+00     0.00000000E+00
     0.00000000E+00     0.00000000E+00     0.00000000E+00     0.00000000E+00
     0.00000000E+00     0.00000000E+00     0.00000000E+00     0.00000000E+00
     0.00000000E+00     0.00000000E+00     0.00000000E+00     0.00000000E+00
     0.00000000E+00     0.00000000E+00     0.00000000E+00     0.00000000E+00
     0.00000000E+00     0.00000000E+00     0.00000000E+00     0.00000000E+00
     0.00000000E+00     0.00000000E+00     0.00000000E+00     0.00000000E+00
     0.00000000E+00     0.00000000E+00     0.00000000E+00     0.00000000E+00
     0.00000000E+00     0.00000000E+00     0.00000000E+00     0.00000000E+00
     0.00000000E+00     0.00000000E+00     0.00000000E+00     0.00000000E+00
     0.00000000E+00     0.00000000E+00     0.00000000E+00     0.00000000E+00
     0.00000000E+00     0.00000000E+00     0.00000000E+00     0.00000000E+00
     0.00000000E+00     0.00000000E+00     0.00000000E+00     0.00000000E+00
     0.00000000E+00     0.00000000E+00     0.00000000E+00     0.00000000E+00
     0.00000000E+00     0.00000000E+00     0.00000000E+00     0.00000000E+00
     0.00000000E+00     0.00000000E+00     0.00000000E+00     0.00000000E+00
     0.00000000E+00     0.00000000E+00     0.00000000E+00     0.00000000E+00
     0.00000000E+00     0.00000000E+00     0.00000000E+00     0.00000000E+00
     0.00000000E+00     0.00000000E+00     0.00000000E+00     0.00000000E+00
     0.00000000E+00     0.00000000E+00     0.00000000E+00     0.00000000E+00
     0.00000000E+00     0.00000000E+00     0.00000000E+00     0.00000000E+00
     0.00000000E+00     0.00000000E+00     0.00000000E+00     0.00000000E+00
     0.00000000E+00     0.00000000E+00     0.00000000E+00     0.00000000E+00
     0.00000000E+00     0.00000000E+00     0.00000000E+00     0.00000000E+00
     0.00000000E+00     0.00000000E+00     0.00000000E+00     0.00000000E+00
     0.00000000E+00     0.00000000E+00     0.00000000E+00     0.00000000E+00
     0.00000000E+00     0.00000000E+00     0.00000000E+00     0.00000000E+00
     0.00000000E+00     0.00000000E+00     0.00000000E+00     0.00000000E+00
     0.00000000E+00     0.00000000E+00     0.00000000E+00     0.00000000E+00
     0.00000000E+00     0.00000000E+00     0.00000000E+00     0.00000000E+00
     0.00000000E+00     0.00000000E+00     0.00000000E+00     0.00000000E+00
     0.00000000E+00 Ju  0.00000000E+00     0.00000000E+00     0.00000000E+00
     0.00000000E+00     0.00000000E+00     0.00000000E+00     0.00000000E+00
     0.00000000E+00     0.00000000E+00     0.00000000E+00     0.00000000E+00
     0.00000000E+00     0.00000000E+00     0.00000000E+00     0.00000000E+00
     0.00000000E+00 JX  0.00000000E+00     0.00000000E+00     0.00000000E+00
     0.00000000E+00     0.00000000E+00     0.00000000E+00     0.00000000E+00
     0.00000000E+00 Jf  0.00000000E+00     0.00000000E+00     0.00000000E+00
     0.00000000E+00     0.00000000E+00     0.00000000E+00     0.00000000E+00
     0.00000000E+00     0.00000000E+00     0.00000000E+00     0.00000000E+00
     0.00000000E+00     0.00000000E+00     0.00000000E+00     0.00000000E+00
     0.00000000E+00     0.00000000E+00     0.00000000E+00     0.00000000E+00
     0.00000000E+00     0.00000000E+00     0.00000000E+00     0.00000000E+00
     0.00000000E+00     0.00000000E+00     0.00000000E+00     0.00000000E+00
     0.00000000E+00     0.00000000E+00     0.00000000E+00     0.00000000E+00
     0.00000000E+00     0.00000000E+00     0.00000000E+00     0.00000000E+00
     0.00000000E+00     0.00000000E+00     0.00000000E+00     0.00000000E+00
     0.00000000E+00     0.00000000E+00     0.00000000E+00     0.00000000E+00
     0.00000000E+00     0.00000000E+00     0.00000000E+00     0.00000000E+00
     0.00000000E+00     0.00000000E+00     0.00000000E+00     0.00000000E+00
     0.00000000E+00

    Unreweighted variance of energy (a.u.)  :   8.790623E-01
           Unreweighted mean energy (a.u.)  :  -1.587851E+01

 Computing derivatives.
 Done. [total CPU time: 10s]

 Optimization monitor :
 ----------------------
 Function evaluations : 2
 NL2SOL iteration     : 1

 Current parameters:
 Be  1.54891765E-02     2.43086804E-02    -2.97322756E-02     2.36837926E-02
    -9.16933985E-03    -6.88232816E-04     1.41419315E-03    -3.33938088E-04
     2.30549903E-05     1.82867888E-02    -5.75879031E-03     6.24407754E-02
    -1.04807518E-01     7.21666839E-02    -2.00190223E-02    -9.78873609E-04
     1.90507146E-03    -4.33051222E-04     3.45007485E-05 Bm  2.20415101E-02
    -5.03628895E-01     6.26895782E-01    -4.69388514E-01     1.09220605E-01
    -1.61322148E-02    -4.29159443E-03     5.85700260E-03    -1.11374676E-03
 BP -5.40311753E-03     1.57600894E-01     1.01260107E-01    -2.12818830E-01
     6.43265114E-02    -5.96652671E-02     9.76874577E-02    -5.05143534E-02
     7.27477477E-02     1.02981038E-01     2.07046523E-01     1.09959763E-01
     6.88567021E-02    -2.22101666E-02     5.31973244E-02    -2.27568102E-03
     6.78168824E-02     2.28299061E-02    -1.49372421E-01    -9.05006306E-02
     2.75022068E-01    -1.53483967E-02     3.86258784E-02    -2.69517935E-02
    -1.09437534E-01     1.78941353E-02    -1.90453040E-02    -1.63280050E-02
     3.10506898E-03     4.16848373E-02    -6.34819443E-02     1.75180708E-02
     5.41443119E-03     1.57368313E-02     4.20699560E-03    -1.47125296E-02
    -2.03554853E-02     2.59803868E-02     1.49296976E-04     7.15766156E-03
     2.00481123E-04     2.47807973E-03    -1.51075655E-03    -1.75353651E-03
     5.18856577E-02    -1.38829677E-01     2.22065414E-01     3.48756833E-01
    -7.60032855E-02    -7.80574987E-01    -1.95178020E-02    -1.59282270E-01
    -2.89342368E-01     8.74159918E-01    -2.65038799E-01    -2.22079394E-01
     6.11167290E-01    -2.71689414E-01     4.81866278E-01     2.65310409E-01
     2.80235179E-01    -2.89366510E-01    -5.14117262E-01    -9.20732759E-02
    -2.82401536E-01     3.54097693E-01     2.50802703E-02    -2.01268775E-02
     2.84887216E-02    -7.01830082E-02    -8.86611485E-02    -1.01748283E-01
    -1.44517731E-01    -1.18915791E-01    -9.35607142E-02     2.93536422E-01
     1.63912485E-01     8.20597593E-03     2.21122173E-01    -9.71774955E-02
    -4.25235068E-02     6.27741808E-03    -6.89024319E-02     8.89257345E-02
     5.87498034E-03     2.55415332E-03    -2.55361471E-02    -4.01678859E-03
    -6.24533850E-03     1.57549494E-02    -4.65839598E-02    -1.68698266E-02
     5.97030837E-03    -1.42629172E-01     3.91302273E-01    -1.79220121E-01
    -2.29001362E-01     2.35556741E-01    -1.25818590E-01     2.22786152E-01
    -2.10107885E-01     9.37684391E-02    -1.61702336E-01    -8.20015858E-01
     2.97465162E-02     3.86482539E-02    -1.59292566E-01     2.89228805E-01
     4.40890997E-02    -1.52346970E-01     1.18082787E-01    -1.58746449E-01
     3.80614452E-02    -2.17717078E-02     2.39542717E-02     1.07396852E-01
     3.87020594E-01     1.92676213E-01    -5.97487005E-02    -2.39309952E-01
    -3.33914207E-02    -2.93413264E-02     1.87496406E-02     3.31543611E-02
     5.77595724E-02     2.55653689E-02    -3.55852347E-02     7.72514522E-03
    -1.29062737E-02    -1.26969706E-01    -2.85305497E-02    -5.59258146E-03
     1.26096360E-01     3.67198515E-02    -5.28381245E-02     1.09643758E-02
    -5.55217861E-02     5.53995967E-03     2.57777849E-02    -1.29669945E-02
     3.34566586E-03    -7.57771773E-03     4.33365240E-03    -5.61001569E-03
    -9.37140792E-02    -3.30297603E-01    -2.70317342E-01     2.31421291E-01
     9.04514323E-01    -7.39298823E-01     4.29276459E-01     1.64680316E-03
    -3.23764732E-01     9.46960658E-02     3.56090892E-02    -4.23362386E-02
     1.34233175E-01    -4.42051471E-01    -6.95978886E-01     6.33954225E-02
    -4.12907711E-03     7.13636254E-03     3.47278568E-01    -1.26237070E-01
    -4.37524968E-01    -9.19161154E-02     2.92590262E-01    -7.44891508E-02
    -2.42637986E-01     6.00925551E-02     1.52338535E-01     4.74702201E-01
    -1.31046304E-01     1.28911647E-01     3.77383830E-03     3.93960054E-02
    -2.16877275E-01     5.84078965E-03     3.06889812E-01    -1.22218913E-03
     2.17360216E-02    -3.69294996E-01     8.20602285E-02     1.67516944E-02
    -9.94693748E-03     6.76570848E-02    -6.73462421E-02     1.84818834E-02
    -8.73367268E-03    -4.90111946E-03    -1.94345102E-02     4.39342248E-02
    -6.36575130E-03 Ju  5.18933279E-03    -1.69002318E-04     1.06459697E-03
    -1.11952300E-03     5.85393750E-05     9.40187352E-05    -5.83951435E-05
     7.92664581E-06     6.82360311E-03    -7.70231334E-04     1.22229433E-03
    -8.66608086E-04     5.00790660E-04    -2.21972785E-04     5.74675146E-05
    -5.61754264E-06 JX -4.24594203E-02    -2.48090753E-02     3.51721367E-02
    -2.87461656E-02     5.77332233E-03     1.73057744E-03    -3.68525764E-03
     4.89948129E-04 Jf -1.52341682E-05     4.03643271E-04    -5.19342049E-04
    -9.64519426E-04     4.81295314E-04    -2.43463815E-04    -1.10601485E-04
    -1.70746675E-04     6.80450529E-05    -1.70873253E-04     1.24780551E-04
     2.15361032E-04    -6.62555193E-04     1.14547611E-04     3.22775309E-05
     8.03488221E-05    -1.64968993E-05    -5.51794259E-06     2.20435817E-05
    -5.75695875E-05     1.12312492E-04     7.85128190E-05    -2.69756754E-05
     5.00180205E-06    -3.65593818E-05     1.95049416E-05    -1.32432372E-05
     4.68324913E-04    -3.06741093E-04    -9.95450937E-05    -2.51155035E-04
     3.62706937E-04    -8.02192031E-04    -1.27802329E-04     2.27769956E-05
     3.12439758E-05    -4.30324613E-04     1.84065762E-04     2.12913248E-04
     1.99282702E-05    -1.34287530E-04     6.82108275E-06    -4.22554253E-05
    -2.13378375E-04     3.34151631E-04    -1.04004025E-05    -4.96606160E-04
     2.72427028E-05    -2.33900485E-06     9.97102372E-05    -1.88909517E-05
     1.04495249E-05

 Rejected step:
 Variance  :   8.790623E-01 ->   6.780753E+01
 Energy    :  -1.587851E+01 ->  -2.851887E+01

 Current parameters:
 Be -4.83002368E-03     3.26164949E-05    -1.19438639E-03     9.32894568E-04
    -1.22336790E-04    -1.08549749E-04     1.59153251E-05     1.08311812E-05
    -2.45556209E-06     4.53502899E-02    -3.69971721E-02     1.72790418E-02
    -3.14158798E-03     6.49799864E-04     1.73825063E-04    -7.17138912E-05
    -2.21142631E-05    -2.30125717E-06     2.10516519E-06 Bm  4.81301808E-03
    -1.03781257E-01    -3.75604212E-03    -2.15898686E-02     9.48570714E-04
    -8.14409939E-05     6.93998457E-04     7.37515216E-04    -1.63815069E-04
 BP  6.69633016E-03     1.33009535E-02     1.46388083E-02    -3.90717124E-03
     8.10768242E-02     1.85136286E-03     5.34908094E-03     4.52600459E-02
     2.87644279E-04    -3.92106807E-03     4.79956381E-02     2.46250193E-03
    -2.95801808E-02    -2.93941895E-03    -1.06934169E-02     1.82590274E-02
    -5.03577565E-03    -1.70209050E-02    -2.45413299E-02     8.10051922E-04
     3.89562784E-03    -4.88381676E-03    -8.19278187E-04    -2.17546485E-03
    -6.10675095E-03    -2.49792428E-03    -1.72913129E-03    -4.24298618E-04
     2.61608767E-03    -2.01337126E-03     3.59848532E-03     2.50409995E-04
    -1.40201781E-03     2.73310850E-03     3.20670537E-03    -2.52596110E-03
    -9.27946790E-04    -7.41748323E-05     3.94516258E-03     6.83386474E-04
     6.92535895E-04    -6.40647040E-05    -3.32416020E-04    -8.58700088E-04
     8.25455598E-02     1.57951294E-02     2.08145384E-02     4.60318576E-02
    -4.16655962E-02    -1.17396236E-01     7.75349855E-02     1.08292597E-02
    -5.37569702E-02     3.24470090E-02    -3.99688845E-02    -9.93047164E-02
     9.63582828E-02    -8.92384243E-03     4.07077473E-02    -8.23260977E-03
    -1.48976764E-02     4.83780367E-03     2.52423942E-02    -1.56452501E-02
    -6.77737769E-02    -4.13797638E-02    -1.22411011E-02    -1.66850793E-02
     5.59482611E-03     1.70589255E-03    -5.99117501E-03     7.26641006E-03
     5.97441207E-03     5.22936944E-03    -7.77578478E-03     2.17581903E-02
     7.11905251E-03     5.43677688E-03     7.44562200E-02     4.47768054E-03
     4.87828433E-03     1.83166937E-03    -6.73241235E-03     4.12481060E-03
     8.98051225E-04    -1.75317593E-03    -1.22733412E-02    -4.49830791E-03
    -1.73599751E-03     4.69109374E-03    -5.82082580E-03    -3.63684198E-03
     7.30760025E-05    -1.30505369E-02     8.47512972E-02    -4.52764662E-03
    -6.00305392E-03    -6.53021365E-02     5.71883918E-03     1.02684458E-03
     5.37756897E-02    -1.51944791E-02    -1.61439578E-02    -1.89832248E-01
    -1.17344057E-02     3.89040048E-03    -3.04133761E-02     1.32061519E-02
     1.57934835E-02    -1.73763028E-02    -3.09533712E-02    -7.20199185E-04
     1.04799793E-03    -1.17979103E-03     4.60689756E-03    -7.55458010E-03
     4.42574139E-02     7.66925657E-02     1.78151555E-02    -1.18901447E-02
     4.10581127E-03     2.00890441E-03    -9.25277152E-04    -2.54417019E-03
    -1.04989596E-03    -5.77574251E-03     4.04442219E-05    -5.50338818E-03
     2.50848947E-03    -8.39160602E-03     4.41734965E-03    -1.66902692E-02
    -6.27984906E-03     2.44200543E-03     1.88114971E-03    -5.42715798E-04
     1.35994592E-03     1.41411587E-03     5.07237259E-03    -2.02997658E-03
    -1.55939671E-04    -1.09039966E-03     7.17106637E-04    -7.23008289E-04
    -2.77780423E-02     5.73159461E-02    -1.02830767E-02     9.34143291E-02
     1.26109832E-01    -3.65043788E-03    -1.87241435E-02     1.37752266E-02
    -1.16982562E-01    -2.14481648E-02     5.10219619E-02    -1.78184659E-02
    -6.91125953E-02    -1.09038438E-01    -3.71717064E-03    -2.59773292E-03
    -1.95143097E-02     1.41359517E-02     2.29527211E-02     1.60510935E-03
    -8.94998824E-02    -9.24532453E-03     2.49350960E-02     2.81946568E-03
    -2.28834230E-02    -1.95052641E-03     5.08762138E-03     2.54918324E-02
    -2.38960493E-02     9.30757910E-03     1.46390861E-02     2.05055397E-02
    -3.20088659E-03     2.56875907E-03     4.81230417E-02    -3.53188764E-03
     1.77051217E-02    -3.37904282E-03     9.50363698E-03    -3.73094525E-03
     1.19271015E-03    -9.23313214E-03     1.41675950E-03    -1.51938193E-03
     2.01220673E-03    -1.77334490E-04    -5.08581418E-03     1.78779273E-03
    -1.95669853E-03 Ju  4.34866538E-03     6.49129347E-05     2.00779603E-04
    -1.91022546E-04     1.11225697E-05     6.61477752E-06    -5.75348063E-06
     1.07584343E-06     6.53635865E-03    -5.91167685E-04     8.12631755E-04
    -2.22675855E-04    -5.18410411E-06     5.46584532E-06     2.40422310E-06
    -2.36935671E-07 JX -3.94261103E-02    -1.17504213E-02     5.93718754E-03
    -2.45335181E-03     5.68305741E-04     5.91153436E-05    -2.48426444E-04
     2.67529362E-05 Jf -3.33671066E-05     1.70453064E-05    -6.58465431E-05
     2.82262875E-05    -5.62850769E-05     2.51537511E-05     1.36804028E-05
     6.59214586E-06     1.12213769E-05    -8.51740974E-05     1.94679954E-05
     1.71905104E-05    -1.25395912E-05     8.67471782E-06    -4.55215682E-06
     4.37248501E-06     8.34354933E-06     3.42651919E-05     5.11451398E-06
    -1.28076351E-05    -1.03072156E-05     2.00372402E-06    -4.24338749E-07
    -1.67204259E-06    -1.22776475E-06    -1.41410907E-06    -1.96831872E-05
     1.35427005E-04    -8.25265803E-06    -1.33235394E-04    -6.22434960E-05
     7.99225270E-05    -2.84428619E-04    -5.63351495E-06    -5.00116439E-05
     6.31321274E-06    -3.02050098E-06     4.80727470E-05    -3.35227264E-05
    -4.13251957E-06    -9.23037526E-06     4.22757281E-06     8.02288340E-06
    -3.27796187E-05     2.48299026E-05     1.79648585E-05     1.53263730E-07
    -3.26284074E-06     1.96203338E-06    -2.00866703E-06    -9.07307311E-07
    -1.40309649E-06

 Accepted step:
    Unreweighted variance of energy (a.u.)  :   8.790623E-01 ->   3.453251E-01
           Unreweighted mean energy (a.u.)  :  -1.587851E+01 ->  -1.587234E+01


 Writing parameters to correlation.out.1.

 Computing derivatives.
 Done. [total CPU time: 9s]

 Optimization monitor :
 ----------------------
 Function evaluations : 4
 NL2SOL iteration     : 2

 Current parameters:
 Be -4.85621812E-03     6.01400798E-03    -4.57277028E-03     2.00891008E-03
    -1.39918745E-04    -1.82597118E-04     3.61986166E-05     1.21796101E-05
    -3.41872114E-06     4.65189033E-02    -2.83204508E-02     2.24807118E-02
    -1.01947414E-02     4.19288222E-03    -1.72783177E-04    -4.09058192E-04
     1.55234293E-05     2.18688629E-05    -1.77351145E-06 Bm  2.78078346E-02
    -2.29454814E-01     3.51416912E-02    -4.16181573E-02     8.18650385E-03
    -6.38279020E-04    -3.49484162E-04     7.88182049E-04    -2.23770436E-04
 BP  6.71825667E-03     4.77175574E-02     1.24463487E-02    -1.00747135E-02
     1.36731328E-01    -2.73896072E-02     9.34647551E-03     4.69938593E-02
     3.92900093E-03    -9.53129944E-03     7.86878990E-02     3.92541271E-04
    -5.28387816E-02    -4.72605298E-03    -2.67168792E-02     1.65144426E-02
     2.86552657E-03    -1.37304493E-02    -4.31582778E-02    -2.30057207E-03
     1.96862383E-02    -1.58423195E-02    -3.81919957E-03    -4.36473277E-03
    -6.80214988E-03    -5.67863385E-03    -2.35562142E-03     5.17404774E-03
     3.63140311E-03    -2.99707170E-05     7.31197350E-03    -9.03019061E-03
     5.83919283E-05     5.59019876E-03     5.85356896E-03    -3.95081873E-03
     1.06691344E-04     3.13518890E-04     7.14872112E-03     2.17130172E-03
     7.76025190E-04    -1.81295358E-03    -5.90611672E-04     2.22324033E-03
     7.47461765E-02     1.07769447E-02     3.28516827E-02     9.15718182E-02
     3.19373257E-02    -3.16773589E-01     1.64375928E-01     1.67031071E-02
    -1.33194363E-01     8.99611741E-02    -6.15432496E-02    -1.60762580E-01
     2.27112081E-01    -4.28197986E-02     7.15165608E-02     5.12103629E-03
    -2.20251696E-02    -1.65141851E-02     4.82439536E-02    -4.22317664E-02
    -9.09042082E-02    -3.83736664E-02     1.39065020E-03    -3.96447315E-02
     3.06218674E-02    -7.57464224E-03     1.08983781E-02     3.83329240E-03
     1.60557032E-02     1.71856377E-03    -1.39798858E-02     5.20523057E-02
     1.81115078E-02     9.01623826E-03     1.05816207E-01    -6.75226869E-03
     2.78338071E-02    -4.60148541E-03    -2.87045235E-02     9.13650459E-03
     2.98454373E-03     2.52499298E-03    -2.72503381E-02    -9.99321564E-03
    -2.01589004E-03     4.82243810E-03    -4.36351264E-03    -1.02887973E-02
     1.11204724E-03    -2.44759795E-02     1.61379362E-01    -2.33147935E-02
    -3.14171723E-02    -9.37984148E-02     2.31724820E-02     9.52160546E-03
     8.03628405E-02    -4.29490960E-02    -2.85343513E-02    -2.75559389E-01
    -1.20810899E-02    -1.59345039E-03    -5.96871317E-02     2.53107506E-02
     2.67171699E-02    -3.60550499E-02    -2.09166049E-02     1.81673138E-02
     8.52325544E-03    -7.09733532E-03     8.37060676E-03    -1.04528166E-03
     9.88082621E-02     1.01889268E-01    -4.80313449E-03    -3.14049404E-02
     3.00435314E-03     2.51775543E-03     1.62830594E-02    -2.00113647E-03
     1.98228849E-03    -1.34852698E-02    -1.45583604E-03    -1.30059373E-02
     4.47194887E-03    -1.41612487E-02     4.68732367E-03    -3.67127653E-02
    -1.38334843E-03     6.01880853E-03     1.27932810E-03     1.03860119E-03
    -1.87096024E-03     2.23561114E-03     1.29050426E-02    -6.97375735E-03
    -3.99941735E-04    -9.95173727E-04     1.69677358E-03    -3.76916052E-03
    -3.35901190E-02     7.62195047E-02    -2.23740881E-02     1.57667444E-01
     2.51295041E-01    -1.20032983E-01    -1.33925001E-02     3.02052117E-02
    -2.03099518E-01     1.92203094E-02     7.11291495E-02    -4.91403162E-02
    -1.05241676E-01    -1.97039135E-01    -1.80867379E-02     2.11225932E-03
    -4.32647786E-02     2.15615602E-02     5.87823037E-02    -2.17919461E-03
    -1.73958761E-01    -3.53807208E-03     6.47330014E-02     8.06805402E-03
    -4.34459555E-02    -2.22030866E-03     2.72449438E-02     5.95851282E-02
    -4.93219921E-02     2.92962829E-02     3.55027650E-02     2.77912166E-02
    -1.39351847E-02    -2.12543424E-03     6.13842791E-02    -8.28097060E-03
     8.12106124E-03    -5.82707196E-03     2.25133657E-02    -8.07666349E-03
     2.83298871E-03    -2.79671173E-02     3.88256259E-03    -5.61219387E-03
     4.32282442E-03    -1.06663147E-04    -1.19006603E-02     7.23787798E-03
    -3.15899658E-03 Ju  3.42604191E-03    -8.73479542E-05     3.06765505E-04
    -3.92315715E-04     3.90579713E-05     1.50307488E-05    -1.93567020E-05
     3.04615351E-06     6.31423701E-03    -9.04031271E-04     1.08966357E-03
    -4.63381976E-04     5.58962252E-05    -5.73026029E-06     7.67956324E-06
    -1.23074333E-06 JX -3.89684912E-02    -1.82052416E-02     1.55821387E-02
    -8.04814536E-03     1.82233393E-03     2.56545106E-04    -6.88539843E-04
     1.20829781E-04 Jf -3.52672337E-05     6.54701992E-05    -1.00128521E-04
    -2.49299967E-05    -7.60816696E-05     3.76199596E-05     5.18293137E-06
     6.78126525E-06     2.58333493E-05    -1.05151462E-04     2.84768548E-05
     3.52992584E-05    -5.66211194E-05     1.96882481E-05    -1.02644207E-05
     1.51236061E-05     1.68506047E-05     2.86074502E-05     1.69096635E-05
    -1.66467970E-05    -4.59742322E-06     3.54397354E-06    -2.63074284E-06
    -3.56823316E-06    -4.26258928E-06    -1.79624153E-06    -2.05093194E-05
     2.56395153E-04    -3.11892316E-05    -2.13356408E-04    -1.05165672E-04
     1.38341724E-04    -4.87835259E-04     6.76456970E-06    -4.75853416E-05
     9.86366793E-06    -6.63214367E-05     1.27049593E-04    -4.24509371E-05
    -5.19457372E-06     2.14546581E-05     4.21322659E-06     1.77349125E-06
    -4.78146470E-05     5.44871297E-05     2.05521738E-06    -2.14466231E-05
    -6.55087572E-06     5.94010735E-06     4.27841698E-07    -3.88624828E-06
     1.65403483E-07

 Rejected step:
 Variance  :   3.453251E-01 ->   1.101654E+00
 Energy    :  -1.587234E+01 ->  -1.615508E+01

 Current parameters:
 Be -5.62095988E-03     4.50060032E-04    -1.52035780E-03     1.24968500E-03
    -7.70808540E-05    -1.26621754E-04     1.29406457E-05     1.13342863E-05
    -2.34672801E-06     4.71093869E-02    -3.49583640E-02     1.87233963E-02
    -4.10827997E-03     9.93373672E-04     1.10079992E-04    -1.18809147E-04
    -1.62813902E-05     1.81943278E-06     1.46065862E-06 Bm  1.03236638E-02
    -1.37367240E-01     2.41498528E-04    -1.95017933E-02     3.22413150E-03
    -5.60826479E-04     1.57562708E-04     6.34404711E-04    -1.44605319E-04
 BP  7.14359504E-03     2.58021090E-02     1.30967703E-02    -4.07023742E-03
     1.04038044E-01    -4.75839833E-04     5.58567643E-03     4.25497197E-02
    -2.65826782E-03    -4.20133800E-03     5.52149414E-02     2.30185981E-03
    -3.40383957E-02    -3.69933517E-03    -1.74952387E-02     1.94566563E-02
    -4.42301926E-03    -1.97501510E-02    -2.84418918E-02     5.34723575E-04
     5.68967220E-03    -6.49485624E-03    -3.38362479E-03    -2.55493636E-03
    -5.71397188E-03    -2.76210813E-03    -2.00997545E-03     8.26263811E-04
     2.75899533E-03    -1.75135075E-03     4.37681842E-03    -6.25346939E-05
    -1.73650906E-03     3.41704289E-03     3.67027428E-03    -2.98758332E-03
     5.44290188E-04    -1.76819213E-05     4.71166732E-03     9.32080494E-04
     7.36967670E-04    -1.82976023E-04    -4.35769065E-04    -1.74093171E-04
     9.01673683E-02     1.33827069E-02     2.81925007E-02     6.54127418E-02
    -2.98266094E-02    -1.57443445E-01     1.01687242E-01     1.02112562E-02
    -7.53244085E-02     3.75250242E-02    -3.88008284E-02    -1.22930605E-01
     1.19927633E-01    -7.60285681E-03     4.55058488E-02    -1.08721418E-02
    -1.83487416E-02     2.58927383E-03     4.63714123E-02    -2.90603078E-02
    -7.17677355E-02    -4.50214881E-02    -1.12588573E-02    -2.08922223E-02
     6.73961889E-03     6.94182740E-04    -3.97278514E-03     6.58884088E-03
     6.77659834E-03     6.31776842E-03    -9.94003235E-03     2.83717651E-02
     8.52818336E-03     6.52542930E-03     8.36220785E-02     4.10355544E-03
     1.10004570E-02     2.35793153E-03    -1.11112312E-02     4.46608902E-03
     1.06924599E-03    -1.10677247E-03    -1.55607612E-02    -6.39590472E-03
    -1.22573138E-03     5.30729233E-03    -6.00818858E-03    -5.41548825E-03
     3.56069700E-04    -1.42266398E-02     1.01669866E-01    -1.10142727E-02
    -1.02548439E-02    -6.54687773E-02     9.10408482E-03     7.77929439E-06
     6.05995858E-02    -2.18243714E-02    -1.59896661E-02    -2.08004346E-01
    -1.21471366E-02     2.89438341E-03    -3.92903270E-02     1.59689005E-02
     2.20637673E-02    -2.09819972E-02    -3.09979787E-02     4.28719158E-03
     1.64085467E-03    -2.31879291E-03     4.62760434E-03    -1.00567865E-02
     5.34569655E-02     8.72237429E-02     1.38354843E-02    -1.51166546E-02
     4.57671313E-03     2.72861499E-03     3.67094079E-04    -2.33080404E-03
    -7.78146539E-04    -7.18029539E-03    -4.91904342E-05    -6.92246812E-03
     2.48498275E-03    -7.48000941E-03     5.99920631E-03    -2.42711768E-02
    -8.07593901E-03     3.48822352E-03     2.27433817E-03    -2.01392905E-04
     2.59177986E-03     1.81764065E-03     6.02092962E-03    -2.97161783E-03
    -2.70332205E-04    -9.34484267E-04     1.02579565E-03    -1.48004702E-03
    -3.39516161E-02     7.21023945E-02    -1.03485795E-02     1.10285422E-01
     1.58679682E-01    -1.24561850E-02    -3.32172838E-02     2.02020988E-02
    -1.38200745E-01    -1.97508100E-02     6.24302855E-02    -2.47085979E-02
    -8.36971373E-02    -1.30129031E-01    -9.43828360E-03    -4.04797746E-03
    -2.37000718E-02     1.61909296E-02     3.16360984E-02     1.52493382E-03
    -1.00599851E-01    -7.60733138E-03     3.09059899E-02     4.00612928E-03
    -2.77579862E-02    -2.38537424E-03     9.61476994E-03     3.03773249E-02
    -2.98350414E-02     1.25952248E-02     1.89480076E-02     2.52333072E-02
    -4.39052241E-03     2.05677520E-03     4.88629852E-02    -4.54747327E-03
     9.68827280E-03    -4.01951703E-03     1.05626100E-02    -4.64938099E-03
     1.54752597E-03    -1.14533167E-02     2.14793294E-03    -2.01520282E-03
     2.98094545E-03    -8.86648257E-04    -6.63317647E-03     2.09074094E-03
    -2.33127566E-03 Ju  3.53676569E-03    -1.40032725E-04     1.67709994E-04
    -1.79122711E-04     2.02192328E-05     1.13569593E-05    -8.55807931E-06
     1.33195597E-06     6.18360760E-03    -8.34343964E-04     8.94542646E-04
    -3.04251951E-04     9.50020925E-07     8.31485796E-06     3.81451957E-06
    -6.99635114E-07 JX -3.87075488E-02    -1.34893720E-02     7.47755271E-03
    -3.30800902E-03     8.19873875E-04     1.02302122E-04    -2.98633973E-04
     4.77751107E-05 Jf -3.50059300E-05     2.82070796E-05    -7.39359851E-05
     2.16285598E-05    -6.74113008E-05     3.22767544E-05     1.93566188E-05
     8.35318656E-06     1.45790011E-05    -9.41192136E-05     2.13227974E-05
     2.55274521E-05    -1.84341895E-05     9.47828958E-06    -6.91959662E-06
     5.62210545E-06     1.09171336E-05     3.65112253E-05     7.91476539E-06
    -1.23370353E-05    -8.33875238E-06     1.97235188E-06    -9.39325555E-07
    -1.97485997E-06    -1.60406309E-06    -1.48523853E-06    -2.48590445E-05
     1.60967374E-04    -1.09635794E-05    -1.50864266E-04    -7.11751650E-05
     8.90424127E-05    -3.34462790E-04     1.62305598E-06    -5.17562830E-05
     4.56931374E-06    -1.43754990E-05     6.40888966E-05    -3.87970137E-05
    -4.59733694E-06    -7.16575225E-06     4.23621679E-06     8.17816758E-06
    -3.22627374E-05     2.97958497E-05     1.17821226E-05     1.74596099E-06
    -3.67302815E-06     2.98272523E-06    -2.18755117E-06    -1.42740840E-06
    -1.48293194E-06

 Accepted step:
    Unreweighted variance of energy (a.u.)  :   3.453251E-01 ->   1.709082E-01
           Unreweighted mean energy (a.u.)  :  -1.587234E+01 ->  -1.582179E+01


 Writing parameters to correlation.out.1.

 Computing derivatives.
 Done. [total CPU time: 9s]

 Optimization monitor :
 ----------------------
 Function evaluations : 6
 NL2SOL iteration     : 3

 Current parameters:
 Be -6.00991490E-03     9.20021150E-04    -1.84745940E-03     1.45721312E-03
    -8.98268097E-05    -1.48012312E-04     1.58731671E-05     1.34087987E-05
    -2.94164939E-06     4.77382930E-02    -3.37384505E-02     2.00141621E-02
    -4.79791271E-03     1.38480954E-03     2.80225451E-05    -1.68255585E-04
    -8.20354033E-06     6.57817531E-06     5.63495472E-07 Bm  1.68424001E-02
    -1.60736189E-01     8.86014676E-03    -1.99528981E-02     4.73981139E-03
    -5.97762728E-04    -3.36258869E-05     6.12605560E-04    -1.59953324E-04
 BP  7.46960807E-03     3.05912638E-02     1.37022271E-02    -4.90526593E-03
     1.16442827E-01    -6.27483342E-03     6.19759811E-03     4.82690726E-02
    -4.66301177E-03    -5.20400437E-03     5.97483995E-02     2.00358021E-03
    -3.84069561E-02    -4.10130520E-03    -2.16142401E-02     2.05858575E-02
    -3.97433677E-03    -2.07176395E-02    -3.15758735E-02     3.36425102E-04
     7.00348321E-03    -7.80959566E-03    -4.32443523E-03    -2.85327911E-03
    -5.85096659E-03    -2.97809480E-03    -2.18331557E-03     1.45009688E-03
     3.13510960E-03    -2.02451277E-03     5.10631757E-03    -1.43082849E-03
    -1.47442257E-03     4.06574494E-03     4.13014873E-03    -3.36713281E-03
     1.06471745E-03     6.93577944E-05     5.32258477E-03     1.02896246E-03
     7.39832050E-04    -4.33851997E-04    -4.71652086E-04     1.35674422E-04
     9.20874096E-02     1.58328461E-02     2.80116328E-02     7.62328189E-02
    -2.36101703E-02    -1.85840966E-01     1.13028890E-01     1.11409463E-02
    -9.26744729E-02     4.08774256E-02    -4.17235726E-02    -1.37614503E-01
     1.37144607E-01    -1.10336492E-02     5.04227762E-02    -7.30800046E-03
    -2.04370348E-02     2.91454115E-03     5.12217124E-02    -3.59562943E-02
    -7.49809723E-02    -4.61123010E-02    -7.85934181E-03    -2.47503753E-02
     9.83807991E-03     2.67494336E-04    -1.73167052E-03     6.29000438E-03
     8.61142494E-03     6.61036131E-03    -1.15183492E-02     3.33377818E-02
     1.00472723E-02     7.06778530E-03     9.09199227E-02     2.38924081E-03
     1.43089853E-02     1.99781184E-03    -1.48553434E-02     5.42685146E-03
     1.52301415E-03    -8.86416102E-04    -1.78771395E-02    -7.28386326E-03
    -1.48676787E-03     5.53809351E-03    -5.93765786E-03    -6.36254901E-03
     4.27682574E-04    -1.57296332E-02     1.13348862E-01    -1.40040757E-02
    -1.40222430E-02    -7.22985756E-02     1.43448036E-02     1.81188261E-04
     6.63046492E-02    -2.80004998E-02    -1.70048872E-02    -2.27397350E-01
    -1.23475296E-02     2.29058230E-03    -4.45254575E-02     1.76687119E-02
     2.22535772E-02    -2.41996113E-02    -3.11082980E-02     8.09223989E-03
     2.62073042E-03    -2.47055397E-03     5.40720378E-03    -1.01607068E-02
     6.18687849E-02     9.63278577E-02     1.12607414E-02    -1.79598480E-02
     4.52888473E-03     2.89015739E-03     2.25025275E-03    -2.30229995E-03
    -4.88662642E-04    -8.33150131E-03    -9.31828260E-05    -8.13886990E-03
     2.72596310E-03    -7.90973224E-03     6.43989653E-03    -2.91762165E-02
    -8.12258306E-03     4.09419336E-03     2.37284147E-03    -2.08639547E-05
     2.88556767E-03     2.08929067E-03     7.18098089E-03    -3.81963059E-03
    -3.82423140E-04    -9.09063979E-04     1.19908739E-03    -2.82528740E-03
    -3.34178312E-02     7.48414835E-02    -1.10445893E-02     1.23315014E-01
     1.81954248E-01    -2.76938714E-02    -3.35401513E-02     1.88039340E-02
    -1.54114269E-01    -1.84139959E-02     6.76120221E-02    -2.84873462E-02
    -9.52013946E-02    -1.43955165E-01    -1.20672228E-02    -4.23014233E-03
    -2.71462098E-02     1.93182595E-02     3.80146834E-02     1.06429438E-03
    -1.15152056E-01    -7.19040211E-03     3.66520395E-02     5.40357608E-03
    -3.25250720E-02    -2.61206691E-03     1.30718853E-02     3.37620175E-02
    -3.50086776E-02     1.53391336E-02     2.24858284E-02     2.79972912E-02
    -5.04789168E-03     1.80186461E-03     5.12456845E-02    -5.17734277E-03
     9.46185916E-03    -3.76083623E-03     1.25444166E-02    -5.29535862E-03
     1.98813322E-03    -1.40377021E-02     2.46593766E-03    -2.21665250E-03
     3.43725537E-03    -1.14953218E-03    -8.11039564E-03     2.70464574E-03
    -2.61248322E-03 Ju  3.47452767E-03    -1.37843478E-04     1.64894244E-04
    -1.85877194E-04     2.69252643E-05     1.53330817E-05    -1.05962959E-05
     1.64461747E-06     6.31249298E-03    -8.69482007E-04     9.60362210E-04
    -3.49124724E-04     1.09157614E-05     7.18262124E-06     3.95475548E-06
    -7.28507081E-07 JX -3.84233298E-02    -1.43193646E-02     9.19831692E-03
    -4.08737813E-03     8.66587397E-04     1.36505678E-04    -3.20430988E-04
     5.97060433E-05 Jf -3.43404712E-05     3.64068708E-05    -8.07287207E-05
     1.86371322E-05    -7.30757689E-05     3.62393514E-05     2.24402338E-05
     8.17898336E-06     1.83409645E-05    -1.00912896E-04     2.36654715E-05
     2.89246447E-05    -2.19835661E-05     1.11617224E-05    -6.59366380E-06
     7.18734123E-06     1.26417626E-05     3.63350421E-05     9.29696093E-06
    -1.34125656E-05    -8.58622868E-06     2.19417064E-06    -1.32536728E-06
    -2.37760102E-06    -2.00901160E-06    -1.80705194E-06    -2.15975191E-05
     1.84866416E-04    -1.32041388E-05    -1.66607534E-04    -8.01574447E-05
     9.96538182E-05    -3.73077454E-04     7.28122917E-06    -5.32976305E-05
     5.76762969E-06    -2.33320916E-05     7.59134526E-05    -4.30047755E-05
    -4.90957995E-06    -3.72948661E-06     4.50663761E-06     8.36964377E-06
    -3.46081951E-05     3.41601180E-05     9.32006147E-06    -1.80834187E-08
    -4.09962186E-06     3.73959772E-06    -2.30087984E-06    -1.85589532E-06
    -1.46541901E-06

 Accepted step:
    Unreweighted variance of energy (a.u.)  :   1.709082E-01 ->   1.295754E-01
           Unreweighted mean energy (a.u.)  :  -1.582179E+01 ->  -1.581339E+01


 Writing parameters to correlation.out.1.

 Computing derivatives.
 Done. [total CPU time: 9s]

 Optimization monitor :
 ----------------------
 Function evaluations : 7
 NL2SOL iteration     : 4

 Current parameters:
 Be -6.19949431E-03     2.79934937E-03    -2.88013230E-03     1.88703714E-03
    -1.21141965E-04    -1.92227224E-04     2.29191574E-05     1.67534594E-05
    -3.77878052E-06     4.78156937E-02    -3.07908612E-02     2.15600745E-02
    -6.95007453E-03     2.54666973E-03    -9.82021544E-05    -2.86699129E-04
     5.57820848E-06     1.62174523E-05    -1.07764053E-06 Bm  2.49193433E-02
    -2.05375407E-01     2.14542316E-02    -2.50374909E-02     6.87361755E-03
    -9.45378278E-04    -3.11456407E-04     6.92287671E-04    -1.90365990E-04
 BP  7.64476305E-03     3.99681688E-02     1.45177560E-02    -7.31950870E-03
     1.34149798E-01    -1.54139992E-02     7.38166541E-03     5.28848922E-02
    -4.80835454E-03    -7.63347155E-03     6.98745052E-02     1.17151280E-03
    -4.76712843E-02    -4.88690422E-03    -2.51805405E-02     2.09963273E-02
    -1.22659483E-03    -1.98928768E-02    -3.82459541E-02    -4.17108184E-04
     1.07814017E-02    -1.11932202E-02    -4.46637875E-03    -3.62488749E-03
    -6.39339189E-03    -3.69599978E-03    -2.43774610E-03     2.87116811E-03
     3.71584746E-03    -2.08151134E-03     6.77403659E-03    -4.64617747E-03
    -9.37071947E-04     5.27746675E-03     4.95237052E-03    -3.91351642E-03
     1.19850946E-03     2.52792630E-04     6.49509694E-03     1.38942869E-03
     7.65844497E-04    -1.03220008E-03    -5.55073072E-04     5.56910532E-04
     9.08857318E-02     1.57435142E-02     2.87914398E-02     8.60025028E-02
    -2.56984616E-03    -2.43291912E-01     1.33045926E-01     1.54152680E-02
    -1.16767495E-01     5.37748232E-02    -4.84337646E-02    -1.54786254E-01
     1.72019872E-01    -2.25841677E-02     6.03919570E-02     1.26653890E-03
    -2.38030392E-02    -6.54462114E-04     5.30137543E-02    -4.10488033E-02
    -8.75011850E-02    -4.33767634E-02    -2.38212905E-03    -3.19537411E-02
     2.00517327E-02    -1.84731631E-03     4.12888238E-03     6.64218272E-03
     1.29087914E-02     5.80849251E-03    -1.34019691E-02     4.27420798E-02
     1.32238055E-02     7.88471709E-03     1.02063300E-01    -2.16221830E-03
     2.10799497E-02    -9.29522831E-04    -2.32648352E-02     7.22254518E-03
     2.42699441E-03    -3.96786524E-04    -2.27048305E-02    -8.84191155E-03
    -2.04608497E-03     5.81479960E-03    -5.52695493E-03    -8.00215722E-03
     6.65552522E-04    -1.98656341E-02     1.36113562E-01    -1.89462568E-02
    -2.23193275E-02    -8.74552992E-02     2.22448316E-02     3.48672975E-03
     7.71478218E-02    -3.87894170E-02    -2.18390443E-02    -2.56174303E-01
    -1.24913058E-02     9.34589158E-04    -5.27609257E-02     2.10622194E-02
     2.27442615E-02    -3.03695220E-02    -2.92996160E-02     1.50954143E-02
     5.40316177E-03    -3.76066117E-03     7.51822019E-03    -7.29247709E-03
     7.98871275E-02     1.06058744E-01     5.59917351E-03    -2.42660840E-02
     3.99946047E-03     2.82140226E-03     8.04748469E-03    -2.41128986E-03
    -2.98380961E-05    -1.07240451E-02    -4.57738188E-04    -1.11494197E-02
     3.37262855E-03    -1.08103217E-02     5.78732725E-03    -3.47419121E-02
    -5.63814373E-03     5.04674883E-03     2.26291395E-03     3.41148516E-04
     1.40197353E-03     2.38200168E-03     1.01160076E-02    -5.52789342E-03
    -4.99566597E-04    -8.28680384E-04     1.49919105E-03    -4.53272290E-03
    -3.15230518E-02     7.72724485E-02    -1.48985683E-02     1.47394681E-01
     2.21469823E-01    -6.50420070E-02    -2.66966843E-02     2.02497075E-02
    -1.85149166E-01    -4.36084730E-03     7.16651356E-02    -3.89282152E-02
    -1.08766038E-01    -1.71347351E-01    -1.44609500E-02    -3.20846924E-03
    -3.49869168E-02     2.40594612E-02     4.95516362E-02    -1.77016726E-03
    -1.45194038E-01    -7.21920827E-03     5.13015371E-02     9.27324421E-03
    -4.06911074E-02    -2.71478729E-03     1.93498651E-02     4.30945204E-02
    -4.45963522E-02     2.18800326E-02     2.93794207E-02     3.07095453E-02
    -7.53082913E-03     6.30787004E-04     5.64570445E-02    -6.83548361E-03
     9.00076433E-03    -3.51545199E-03     1.84093608E-02    -6.66659964E-03
     2.73985791E-03    -2.12491863E-02     2.70863138E-03    -3.08524225E-03
     3.99030961E-03    -7.23833105E-04    -1.07162658E-02     4.44844953E-03
    -3.05161008E-03 Ju  3.41847836E-03    -1.00406375E-04     2.13117103E-04
    -2.52526587E-04     3.70026027E-05     1.99548074E-05    -1.49998258E-05
     2.30511383E-06     6.38616055E-03    -9.12305728E-04     1.05684194E-03
    -4.32557361E-04     3.73375183E-05     3.67650485E-06     4.37713922E-06
    -8.07546493E-07 JX -3.83199637E-02    -1.61585418E-02     1.25337474E-02
    -5.72632782E-03     1.15577563E-03     2.03415899E-04    -4.21144899E-04
     8.10593368E-05 Jf -3.46930584E-05     4.84978930E-05    -9.31789767E-05
     5.31070381E-06    -7.92342724E-05     3.82520349E-05     2.06135606E-05
     6.44633835E-06     2.36021160E-05    -1.07724722E-04     2.81325902E-05
     3.31550662E-05    -3.46010705E-05     1.53055840E-05    -7.05738726E-06
     1.08915940E-05     1.57528684E-05     3.46990398E-05     1.28778143E-05
    -1.55676816E-05    -1.02707698E-05     2.72387286E-06    -1.93449210E-06
    -3.24661886E-06    -2.91124469E-06    -2.25324259E-06    -1.87244925E-05
     2.27913763E-04    -1.99054735E-05    -1.94198854E-04    -9.57698789E-05
     1.20976202E-04    -4.42601870E-04     1.27727965E-05    -5.18479709E-05
     7.86731079E-06    -4.38398124E-05     1.02152786E-04    -4.74896323E-05
    -5.45762196E-06     6.19400534E-06     4.72300000E-06     7.19924174E-06
    -4.14574176E-05     4.40015503E-05     5.21245097E-06    -6.39254662E-06
    -5.11413306E-06     5.06079638E-06    -1.96945940E-06    -2.76899887E-06
    -1.10876470E-06

 Rejected step:
 Variance  :   1.295754E-01 ->   2.080468E-01
 Energy    :  -1.581339E+01 ->  -1.584502E+01

 Current parameters:
 Be -6.21951698E-03     1.30531089E-03    -2.05154795E-03     1.60863198E-03
    -1.02537954E-04    -1.65161058E-04     1.74800457E-05     1.48858531E-05
    -3.25086946E-06     4.80264170E-02    -3.27938223E-02     2.06877067E-02
    -5.31665792E-03     1.67417706E-03    -2.22706562E-05    -2.02671652E-04
    -3.24994805E-06     9.73010522E-06     5.16088106E-11 Bm  2.01778830E-02
    -1.76669608E-01     1.29770824E-02    -2.06441160E-02     5.60039229E-03
    -6.43622351E-04    -1.23100670E-04     6.22427983E-04    -1.71105921E-04
 BP  7.65836007E-03     3.35972892E-02     1.43863882E-02    -5.55863363E-03
     1.23169190E-01    -9.24530068E-03     6.53745685E-03     5.09509645E-02
    -5.33728940E-03    -5.90314217E-03     6.27619799E-02     1.76276048E-03
    -4.15173727E-02    -4.38668686E-03    -2.32701871E-02     2.10687540E-02
    -3.41985509E-03    -2.09315801E-02    -3.36647231E-02     1.92581732E-04
     7.96528980E-03    -8.75377534E-03    -4.68868157E-03    -3.07368420E-03
    -6.02148613E-03    -3.13267471E-03    -2.28644952E-03     1.84745664E-03
     3.38504676E-03    -2.12465065E-03     5.63355162E-03    -2.31978000E-03
    -1.32123803E-03     4.47869992E-03     4.38975007E-03    -3.57357849E-03
     1.26379944E-03     1.28532022E-04     5.70734510E-03     1.12162620E-03
     7.49293699E-04    -6.12215404E-04    -5.02911693E-04     1.10046031E-04
     9.33613567E-02     1.59986896E-02     2.80389259E-02     8.10484655E-02
    -1.92398848E-02    -2.03180241E-01     1.19766349E-01     1.22567136E-02
    -1.01463400E-01     4.37102453E-02    -4.40391148E-02    -1.44781366E-01
     1.46997105E-01    -1.37517621E-02     5.31581589E-02    -4.31659560E-03
    -2.17229604E-02     3.04884508E-03     5.29875545E-02    -3.83239727E-02
    -7.90200205E-02    -4.58142318E-02    -6.12182319E-03    -2.70747445E-02
     1.25455255E-02    -1.52911270E-04    -1.47396552E-04     6.29019861E-03
     9.94728341E-03     6.59328732E-03    -1.23184026E-02     3.63405200E-02
     1.09503068E-02     7.35399454E-03     9.49436661E-02     1.06616048E-03
     1.65724632E-02     1.43686120E-03    -1.74943061E-02     6.01234290E-03
     1.83679873E-03    -7.93763167E-04    -1.93919776E-02    -7.78950347E-03
    -1.64988084E-03     5.68254698E-03    -5.86940047E-03    -6.89779282E-03
     4.90759902E-04    -1.68406985E-02     1.20350439E-01    -1.55480478E-02
    -1.64457022E-02    -7.71169310E-02     1.72044394E-02     7.29662782E-04
     6.99930601E-02    -3.17889678E-02    -1.79946212E-02    -2.37675566E-01
    -1.24478530E-02     1.89552632E-03    -4.73259300E-02     1.86945296E-02
     2.21907258E-02    -2.61987198E-02    -3.10681039E-02     1.04472138E-02
     3.35478353E-03    -2.80402178E-03     6.03252918E-03    -9.96890496E-03
     6.72421319E-02     1.00895324E-01     9.72588545E-03    -1.98185894E-02
     4.43007414E-03     2.90744368E-03     3.99082469E-03    -2.32649761E-03
    -3.51948590E-04    -9.04944592E-03    -1.45842345E-04    -9.01790942E-03
     2.91545243E-03    -8.52084918E-03     6.45761388E-03    -3.14927467E-02
    -7.72102508E-03     4.42536256E-03     2.39062296E-03     7.53045441E-05
     2.67585452E-03     2.23031770E-03     8.02022424E-03    -4.35183089E-03
    -4.39521550E-04    -8.87277036E-04     1.30336610E-03    -3.66917442E-03
    -3.29111671E-02     7.62122725E-02    -1.18447761E-02     1.31931127E-01
     1.95812571E-01    -3.80865490E-02    -3.28104855E-02     1.82431933E-02
    -1.63862595E-01    -1.59308258E-02     6.98267454E-02    -3.11530006E-02
    -1.01011993E-01    -1.52717900E-01    -1.31593914E-02    -4.26162602E-03
    -2.95102725E-02     2.11410293E-02     4.17710703E-02     4.61497492E-05
    -1.24378691E-01    -7.27284008E-03     4.08152838E-02     6.48047137E-03
    -3.54321472E-02    -2.70887805E-03     1.50183373E-02     3.62425698E-02
    -3.81591428E-02     1.72016418E-02     2.46464402E-02     2.94250813E-02
    -5.54058961E-03     1.58626451E-03     5.29119975E-02    -5.67172235E-03
     9.35723829E-03    -3.62661053E-03     1.41073277E-02    -5.70361625E-03
     2.25611272E-03    -1.59580160E-02     2.62072681E-03    -2.37023621E-03
     3.65135593E-03    -1.13489870E-03    -9.04487522E-03     3.14506427E-03
    -2.78012465E-03 Ju  3.45922718E-03    -1.24100949E-04     1.67441251E-04
    -1.87595667E-04     3.16384632E-05     1.84737447E-05    -1.17998453E-05
     1.80474293E-06     6.34263723E-03    -8.88534057E-04     9.95057011E-04
    -3.77812610E-04     1.87843196E-05     6.51849923E-06     4.00381955E-06
    -7.50155693E-07 JX -3.83489466E-02    -1.48961067E-02     1.02274150E-02
    -4.52096805E-03     9.65319713E-04     1.60673319E-04    -3.38656235E-04
     6.69395603E-05 Jf -3.46615143E-05     4.08100270E-05    -8.48813272E-05
     1.47753381E-05    -7.65736996E-05     3.78910812E-05     2.35169431E-05
     8.17508844E-06     2.04454786E-05    -1.04102812E-04     2.52383918E-05
     3.08870020E-05    -2.52581719E-05     1.23333184E-05    -6.65365619E-06
     8.28077712E-06     1.37575874E-05     3.61854545E-05     1.02958798E-05
    -1.40395444E-05    -9.35565353E-06     2.34884145E-06    -1.49704663E-06
    -2.60891140E-06    -2.25281882E-06    -1.99957973E-06    -2.03101541E-05
     1.99491015E-04    -1.45101791E-05    -1.76389190E-04    -8.56899786E-05
     1.06517595E-04    -3.97019643E-04     1.00952178E-05    -5.31487531E-05
     6.41151505E-06    -2.92107899E-05     8.38365636E-05    -4.51825941E-05
    -5.12712104E-06    -1.17635768E-06     4.65365433E-06     8.35605648E-06
    -3.66414753E-05     3.70605199E-05     7.98619655E-06    -1.34514743E-06
    -4.38813652E-06     4.17557345E-06    -2.31125639E-06    -2.13169900E-06
    -1.42594918E-06

 Accepted step:
    Unreweighted variance of energy (a.u.)  :   1.295754E-01 ->   9.837898E-02
           Unreweighted mean energy (a.u.)  :  -1.581339E+01 ->  -1.580734E+01


 Writing parameters to correlation.out.1.

 Computing derivatives.
 Done. [total CPU time: 12s]

 Optimization monitor :
 ----------------------
 Function evaluations : 9
 NL2SOL iteration     : 5

 Current parameters:
 Be -6.35482373E-03     1.79252187E-03    -2.28377231E-03     1.75113630E-03
    -1.15582276E-04    -1.81372056E-04     1.92240459E-05     1.62342554E-05
    -3.52356203E-06     4.81091702E-02    -3.19480377E-02     2.12038510E-02
    -5.88780974E-03     1.98769362E-03    -6.27659347E-05    -2.36642884E-04
     1.02576340E-06     1.26650396E-05    -5.11386465E-07 Bm  2.28932531E-02
    -1.89551348E-01     1.62640341E-02    -2.18854617E-02     6.23812505E-03
    -7.38319604E-04    -2.00038974E-04     6.44575623E-04    -1.81826520E-04
 BP  7.77891310E-03     3.63808834E-02     1.48287833E-02    -6.33435379E-03
     1.29208392E-01    -1.15272509E-02     6.83042543E-03     5.28669674E-02
    -5.82389141E-03    -6.62892595E-03     6.58644781E-02     1.52932027E-03
    -4.44037356E-02    -4.65708828E-03    -2.42923973E-02     2.13955235E-02
    -2.71957876E-03    -2.09550960E-02    -3.57675067E-02     4.36133747E-05
     8.91942011E-03    -9.68040681E-03    -4.81026813E-03    -3.29220200E-03
    -6.24234436E-03    -3.29325746E-03    -2.37595828E-03     2.22116377E-03
     3.59004375E-03    -2.23982744E-03     6.18007239E-03    -3.28654063E-03
    -1.16690491E-03     4.87541145E-03     4.63062843E-03    -3.74334802E-03
     1.39281777E-03     1.84437151E-04     6.05409010E-03     1.22529150E-03
     7.57699159E-04    -7.85526995E-04    -5.31332282E-04     1.05857900E-04
     9.37984032E-02     1.61578298E-02     2.79304784E-02     8.41878793E-02
    -1.44334320E-02    -2.19105617E-01     1.25186474E-01     1.38279648E-02
    -1.08769901E-01     4.67086296E-02    -4.60330575E-02    -1.50428567E-01
     1.56773042E-01    -1.69331487E-02     5.59138113E-02    -1.46407086E-03
    -2.27505815E-02     2.68589005E-03     5.35058907E-02    -3.97089751E-02
    -8.32614769E-02    -4.52372447E-02    -4.58590401E-03    -2.91489271E-02
     1.56774668E-02    -6.38683258E-04     1.31719796E-03     6.37152124E-03
     1.12661875E-02     6.45285490E-03    -1.28906166E-02     3.90605953E-02
     1.18280216E-02     7.60450201E-03     9.85715829E-02    -2.64662142E-04
     1.85287847E-02     6.41338108E-04    -1.99323400E-02     6.57905435E-03
     2.10973544E-03    -8.02705687E-04    -2.08325838E-02    -8.21408374E-03
    -1.83822458E-03     5.82012101E-03    -5.78125520E-03    -7.34355418E-03
     5.48467478E-04    -1.80051637E-02     1.26787934E-01    -1.67711855E-02
    -1.87646254E-02    -8.22340032E-02     1.97295878E-02     1.60828716E-03
     7.35557400E-02    -3.50160494E-02    -1.92614682E-02    -2.46183471E-01
    -1.25158444E-02     1.53255214E-03    -4.96243293E-02     1.96230179E-02
     2.21479963E-02    -2.80303756E-02    -3.08985109E-02     1.25569176E-02
     4.14826381E-03    -3.14899686E-03     6.71995722E-03    -9.27776472E-03
     7.24108183E-02     1.04468170E-01     8.27919329E-03    -2.16147784E-02
     4.27896507E-03     2.85741404E-03     5.64393424E-03    -2.37714583E-03
    -2.89069317E-04    -9.74498045E-03    -2.23299449E-04    -9.89956516E-03
     3.10715215E-03    -9.40421585E-03     6.26864145E-03    -3.31399058E-02
    -7.03757799E-03     4.69644451E-03     2.36783011E-03     1.60756692E-04
     2.30425822E-03     2.32977024E-03     8.86360298E-03    -4.84129351E-03
    -4.82069760E-04    -8.60268358E-04     1.39170148E-03    -4.33072490E-03
    -3.21714941E-02     7.69336352E-02    -1.27782692E-02     1.39725896E-01
     2.07478562E-01    -4.86132233E-02    -3.09653366E-02     1.81851968E-02
    -1.72793087E-01    -1.23148526E-02     7.11197792E-02    -3.41169944E-02
    -1.05685518E-01    -1.60798521E-01    -1.39413621E-02    -4.16874331E-03
    -3.17994005E-02     2.27566290E-02     4.52324610E-02    -8.65196742E-04
    -1.33168011E-01    -7.45338160E-03     4.50079589E-02     7.63312832E-03
    -3.80214444E-02    -2.75869454E-03     1.67822745E-02     3.86407364E-02
    -4.10625885E-02     1.90207948E-02     2.66459567E-02     3.04444657E-02
    -6.09634123E-03     1.32088667E-03     5.44593321E-02    -6.22397405E-03
     9.37011071E-03    -3.46755818E-03     1.58124799E-02    -6.07845997E-03
     2.51020086E-03    -1.79599372E-02     2.69518094E-03    -2.53580692E-03
     3.82664768E-03    -1.03737083E-03    -9.87556085E-03     3.60765052E-03
    -2.92758051E-03 Ju  3.46027612E-03    -1.04703716E-04     1.73872488E-04
    -1.97606661E-04     3.55483356E-05     2.10204021E-05    -1.29536823E-05
     1.95290380E-06     6.36642707E-03    -9.02308449E-04     1.02563720E-03
    -4.04071523E-04     2.67356814E-05     5.70865893E-06     4.03395384E-06
    -7.62864709E-07 JX -3.82676138E-02    -1.54209028E-02     1.11869979E-02
    -4.97030115E-03     1.06403226E-03     1.84283639E-04    -3.58493936E-04
     7.24798187E-05 Jf -3.45644293E-05     4.41883667E-05    -8.87243692E-05
     1.14021607E-05    -7.89118300E-05     3.86796832E-05     2.33315535E-05
     7.66701987E-06     2.21642377E-05    -1.06539937E-04     2.68044264E-05
     3.22461025E-05    -2.85788124E-05     1.35273876E-05    -6.70776584E-06
     9.33758321E-06     1.47098801E-05     3.58411548E-05     1.12359169E-05
    -1.46528268E-05    -1.02302817E-05     2.50027333E-06    -1.65013761E-06
    -2.84778111E-06    -2.49171216E-06    -2.15584192E-06    -1.92700968E-05
     2.12673282E-04    -1.61785184E-05    -1.84906608E-04    -9.06698976E-05
     1.13030588E-04    -4.18518040E-04     1.19354939E-05    -5.29323029E-05
     7.11475416E-06    -3.50740071E-05     9.14975131E-05    -4.68819840E-05
    -5.29327491E-06     1.44402199E-06     4.77731862E-06     8.22657367E-06
    -3.86210902E-05     3.99154737E-05     6.78904519E-06    -2.92118025E-06
    -4.67912424E-06     4.57129843E-06    -2.29484856E-06    -2.38873486E-06
    -1.35551259E-06

 Accepted step:
    Unreweighted variance of energy (a.u.)  :   9.837898E-02 ->   9.124024E-02
           Unreweighted mean energy (a.u.)  :  -1.580734E+01 ->  -1.580714E+01


 Writing parameters to correlation.out.1.

 Computing derivatives.
 Done. [total CPU time: 8s]

 Optimization monitor :
 ----------------------
 Function evaluations : 10
 NL2SOL iteration     : 6

 Current parameters:
 Be -6.34197799E-03     3.02279065E-03    -2.95037040E-03     2.01213424E-03
    -1.34964808E-04    -2.07931684E-04     2.35373643E-05     1.80957236E-05
    -3.96882583E-06     4.80165699E-02    -3.03183800E-02     2.18802983E-02
    -7.28802348E-03     2.73631582E-03    -1.23329443E-04    -3.08074126E-04
     8.25098415E-06     1.81646349E-05    -1.42341088E-06 Bm  2.65633330E-02
    -2.11922407E-01     2.26628233E-02    -2.53194311E-02     7.29568130E-03
    -1.05170041E-03    -3.60872179E-04     7.13332615E-04    -1.99949778E-04
 BP  7.80083167E-03     4.21071405E-02     1.48303997E-02    -8.05667030E-03
     1.39276138E-01    -1.59361288E-02     7.45807172E-03     5.44385345E-02
    -5.81270552E-03    -8.13114763E-03     7.24805629E-02     1.06781958E-03
    -4.95410157E-02    -5.14597633E-03    -2.54924254E-02     2.15044885E-02
    -8.25982756E-04    -2.03165158E-02    -4.01940493E-02    -4.01964398E-04
     1.12026624E-02    -1.16486486E-02    -4.53352357E-03    -3.76572425E-03
    -6.61732896E-03    -3.67352266E-03    -2.51920112E-03     3.04145799E-03
     3.85512256E-03    -2.22562230E-03     7.28671546E-03    -5.50765060E-03
    -8.30980129E-04     5.60516130E-03     5.09242055E-03    -4.00160496E-03
     1.38551153E-03     2.84894539E-04     6.67024664E-03     1.46636527E-03
     7.75220776E-04    -1.14179488E-03    -5.75957720E-04     4.47425041E-04
     9.17553218E-02     1.62365188E-02     2.85802063E-02     8.78442603E-02
    -9.31741726E-04    -2.51035271E-01     1.35076858E-01     1.72823122E-02
    -1.21269619E-01     5.42167854E-02    -4.96889906E-02    -1.58479334E-01
     1.77381236E-01    -2.49794554E-02     6.21185474E-02     3.56071087E-03
    -2.44119801E-02    -2.26081327E-04     5.27845521E-02    -4.13908399E-02
    -9.15766377E-02    -4.31244044E-02    -1.83205723E-03    -3.31958154E-02
     2.23316337E-02    -2.04368681E-03     4.67338727E-03     6.83184866E-03
     1.38235338E-02     5.81281237E-03    -1.35965292E-02     4.43448109E-02
     1.36984794E-02     8.03345564E-03     1.04953303E-01    -2.82598729E-03
     2.23101026E-02    -1.47487531E-03    -2.47374149E-02     7.58779513E-03
     2.59075560E-03    -6.79076676E-04    -2.36425233E-02    -9.05423611E-03
    -2.20525539E-03     5.96406211E-03    -5.51276892E-03    -8.17672366E-03
     6.87301328E-04    -2.06239849E-02     1.39624303E-01    -1.93777449E-02
    -2.36279703E-02    -9.14955618E-02     2.37989631E-02     4.10988028E-03
     7.95155269E-02    -4.07644780E-02    -2.26026270E-02    -2.61201734E-01
    -1.25679736E-02     7.45393107E-04    -5.38723252E-02     2.15755242E-02
     2.27227546E-02    -3.15189053E-02    -2.94910930E-02     1.64553521E-02
     5.93632085E-03    -3.83244377E-03     8.08715603E-03    -6.71546971E-03
     8.30826770E-02     1.08904103E-01     5.02845524E-03    -2.53565328E-02
     3.90281793E-03     2.72678438E-03     8.64353729E-03    -2.46999820E-03
    -1.26493781E-04    -1.11437760E-02    -4.92141832E-04    -1.17202497E-02
     3.46740128E-03    -1.15900727E-02     5.50492326E-03    -3.55392479E-02
    -5.06090910E-03     5.19413266E-03     2.24271898E-03     3.65584289E-04
     1.22902471E-03     2.44394336E-03     1.06341203E-02    -5.79257639E-03
    -5.28560341E-04    -8.08673140E-04     1.54767733E-03    -5.07292565E-03
    -3.04330215E-02     7.74557781E-02    -1.54249524E-02     1.52894189E-01
     2.28479752E-01    -7.11033506E-02    -2.53502254E-02     1.97491769E-02
    -1.90701792E-01    -1.97909813E-03     7.23244618E-02    -4.11681097E-02
    -1.11760734E-01    -1.76152379E-01    -1.47325237E-02    -3.41472902E-03
    -3.64203615E-02     2.52544788E-02     5.15976062E-02    -2.35661354E-03
    -1.50910531E-01    -7.75653075E-03     5.39720294E-02     1.01499904E-02
    -4.24074272E-02    -2.75204996E-03     2.03036677E-02     4.42204038E-02
    -4.64830321E-02     2.28712334E-02     3.05870874E-02     3.14796176E-02
    -7.72090231E-03     5.57059464E-04     5.75635583E-02    -7.37017479E-03
     9.23758059E-03    -3.31463169E-03     1.96406028E-02    -6.86996438E-03
     2.93092703E-03    -2.25097692E-02     2.68870569E-03    -3.09997427E-03
     4.08588301E-03    -6.44630330E-04    -1.12562435E-02     4.67773374E-03
    -3.14882628E-03 Ju  3.43638965E-03    -7.98281416E-05     2.04380340E-04
    -2.40255495E-04     4.15404973E-05     2.40131114E-05    -1.55122311E-05
     2.31799593E-06     6.40165772E-03    -9.23134193E-04     1.07769499E-03
    -4.50886780E-04     4.28394042E-05     3.33686058E-06     4.26674003E-06
    -7.97089562E-07 JX -3.82264509E-02    -1.64473365E-02     1.30769892E-02
    -5.98274527E-03     1.26905505E-03     2.28908575E-04    -4.15720235E-04
     8.29932876E-05 Jf -3.45428629E-05     5.01677054E-05    -9.58413825E-05
     3.42336914E-06    -8.06100178E-05     3.81838089E-05     2.09258198E-05
     5.88585088E-06     2.47744639E-05    -1.09541558E-04     2.93977753E-05
     3.39048045E-05    -3.62696102E-05     1.60639858E-05    -6.86746227E-06
     1.14986721E-05     1.62742778E-05     3.46265692E-05     1.33518471E-05
    -1.58482301E-05    -1.14914059E-05     2.82239125E-06    -1.99096913E-06
    -3.34048522E-06    -3.02013454E-06    -2.35134764E-06    -1.78629427E-05
     2.36472695E-04    -2.10269366E-05    -1.99045907E-04    -9.90898835E-05
     1.25283934E-04    -4.56514514E-04     1.38700013E-05    -5.17964021E-05
     8.29760802E-06    -4.75478967E-05     1.07093884E-04    -4.89114754E-05
    -5.57334789E-06     7.45799061E-06     4.84186788E-06     7.30479723E-06
    -4.27550296E-05     4.58457093E-05     4.49642666E-06    -7.03313417E-06
    -5.28805056E-06     5.30509991E-06    -2.03243356E-06    -2.90454014E-06
    -1.09882801E-06

 Rejected step:
 Variance  :   9.124024E-02 ->   1.257486E-01
 Energy    :  -1.580714E+01 ->  -1.581974E+01

 Current parameters:
 Be -6.40598835E-03     2.06950419E-03    -2.41065649E-03     1.83713034E-03
    -1.21728646E-04    -1.90748385E-04     1.99402986E-05     1.69092618E-05
    -3.64042026E-06     4.81380341E-02    -3.14894353E-02     2.14489930E-02
    -6.22560804E-03     2.17115450E-03    -8.27405402E-05    -2.55641413E-04
     3.21042815E-06     1.42444588E-05    -7.80242253E-07 Bm  2.41722456E-02
    -1.96262440E-01     1.77083821E-02    -2.25962742E-02     6.62385304E-03
    -7.96665908E-04    -2.48669359E-04     6.56656913E-04    -1.86924809E-04
 BP  7.83942287E-03     3.80373933E-02     1.49386416E-02    -6.81177989E-03
     1.32554950E-01    -1.26139514E-02     6.98354325E-03     5.36941520E-02
    -6.11130845E-03    -7.03842697E-03     6.76926658E-02     1.40894644E-03
    -4.59681756E-02    -4.81361683E-03    -2.47711172E-02     2.15314439E-02
    -2.29369281E-03    -2.09122940E-02    -3.70126060E-02    -3.87987113E-05
     9.52271313E-03    -1.01843584E-02    -4.86067356E-03    -3.41746979E-03
    -6.35801321E-03    -3.38146793E-03    -2.42590406E-03     2.43422697E-03
     3.68559165E-03    -2.27658905E-03     6.50051451E-03    -3.90092832E-03
    -1.09014352E-03     5.09068103E-03     4.75926117E-03    -3.82830518E-03
     1.48029139E-03     2.10779490E-04     6.23049032E-03     1.28682404E-03
     7.64013621E-04    -8.80199202E-04    -5.45162262E-04     1.29551835E-04
     9.37123071E-02     1.62771717E-02     2.78914388E-02     8.56009907E-02
    -1.15208092E-02    -2.27663749E-01     1.27943616E-01     1.48122950E-02
    -1.12561077E-01     4.84600746E-02    -4.71141606E-02    -1.53162326E-01
     1.62306253E-01    -1.88498185E-02     5.75080330E-02     6.13482873E-05
    -2.32915589E-02     2.31616587E-03     5.35685442E-02    -4.03739540E-02
    -8.57075429E-02    -4.48355228E-02    -3.80609611E-03    -3.02793148E-02
     1.74842610E-02    -9.40743128E-04     2.10464406E-03     6.43955417E-03
     1.19912909E-02     6.35795966E-03    -1.31569600E-02     4.05550417E-02
     1.23268293E-02     7.74511402E-03     1.00552469E-01    -9.60249995E-04
     1.96029564E-02     1.48907573E-04    -2.12686086E-02     6.87458753E-03
     2.24724404E-03    -8.17374540E-04    -2.16332968E-02    -8.45215869E-03
    -1.94369035E-03     5.89584166E-03    -5.72312079E-03    -7.57934387E-03
     5.82687904E-04    -1.86732269E-02     1.30281611E-01    -1.74413451E-02
    -2.00371998E-02    -8.49980191E-02     2.10541828E-02     2.17804840E-03
     7.53558875E-02    -3.67715754E-02    -2.00445380E-02    -2.50599002E-01
    -1.25497439E-02     1.33116038E-03    -5.08243748E-02     2.01384118E-02
     2.21728048E-02    -2.90127763E-02    -3.06827489E-02     1.37250742E-02
     4.60776720E-03    -3.32305655E-03     7.10021270E-03    -8.77738076E-03
     7.52593863E-02     1.06134945E-01     7.46496017E-03    -2.26152030E-02
     4.19147889E-03     2.82295587E-03     6.51648586E-03    -2.40827732E-03
    -2.55472758E-04    -1.01249643E-02    -2.74881987E-04    -1.03939084E-02
     3.20444699E-03    -9.93280034E-03     6.10871787E-03    -3.39274815E-02
    -6.58974760E-03     4.83695335E-03     2.34871034E-03     2.09145925E-04
     2.06332017E-03     2.37479940E-03     9.33491772E-03    -5.10514272E-03
    -5.01510257E-04    -8.45722980E-04     1.43863003E-03    -4.65372183E-03
    -3.16900153E-02     7.72520809E-02    -1.33537028E-02     1.43879161E-01
     2.13595354E-01    -5.45102362E-02    -2.97545430E-02     1.83039897E-02
    -1.77701517E-01    -9.97960369E-03     7.16555661E-02    -3.58978568E-02
    -1.07906318E-01    -1.65133653E-01    -1.42818432E-02    -4.09183597E-03
    -3.30772479E-02     2.35828589E-02     4.71120335E-02    -1.39213241E-03
    -1.37953058E-01    -7.58552632E-03     4.73663823E-02     8.29342227E-03
    -3.93731800E-02    -2.77788844E-03     1.77124725E-02     3.99940100E-02
    -4.26299667E-02     2.00367150E-02     2.77206775E-02     3.09288628E-02
    -6.43653371E-03     1.15587085E-03     5.53536829E-02    -6.53963570E-03
     9.34716592E-03    -3.37833422E-03     1.68065432E-02    -6.28770792E-03
     2.64222961E-03    -1.91126576E-02     2.70907862E-03    -2.65170274E-03
     3.91349576E-03    -9.54961360E-04    -1.03067279E-02     3.87128196E-03
    -3.00009122E-03 Ju  3.46140096E-03    -9.48624734E-05     1.76046311E-04
    -1.99118229E-04     3.81927445E-05     2.29906521E-05    -1.35518226E-05
     2.01928410E-06     6.37754404E-03    -9.08989557E-04     1.04173842E-03
    -4.18183786E-04     3.11641733E-05     5.22067511E-06     4.06003404E-06
    -7.70544907E-07 JX -3.82449987E-02    -1.57050311E-02     1.16926179E-02
    -5.22276379E-03     1.14506247E-03     2.01361365E-04    -3.66431103E-04
     7.52369067E-05 Jf -3.45063619E-05     4.57742211E-05    -9.07656290E-05
     9.74044858E-06    -7.99249309E-05     3.88737014E-05     2.27002491E-05
     7.24184441E-06     2.30669828E-05    -1.07765732E-04     2.76685671E-05
     3.28688863E-05    -3.04515791E-05     1.41808536E-05    -6.75358828E-06
     9.91009737E-06     1.51938638E-05     3.56466314E-05     1.17509264E-05
    -1.49594649E-05    -1.06999705E-05     2.58083129E-06    -1.73388060E-06
    -2.96821180E-06    -2.62155035E-06    -2.22642973E-06    -1.87685030E-05
     2.19719985E-04    -1.72088936E-05    -1.89257457E-04    -9.32845675E-05
     1.16525121E-04    -4.29909801E-04     1.27585727E-05    -5.26834922E-05
     7.47073084E-06    -3.83617335E-05     9.57623536E-05    -4.76763662E-05
    -5.38741109E-06     2.94524566E-06     4.82265651E-06     8.10012798E-06
    -3.97583828E-05     4.14997031E-05     6.15316983E-06    -3.84022258E-06
    -4.84230672E-06     4.78105573E-06    -2.26165849E-06    -2.52944760E-06
    -1.30727336E-06

 Accepted step:
    Unreweighted variance of energy (a.u.)  :   9.124024E-02 ->   8.066504E-02
           Unreweighted mean energy (a.u.)  :  -1.580714E+01 ->  -1.580514E+01


 Writing parameters to correlation.out.1.

 Computing derivatives.
 Done. [total CPU time: 8s]

 Optimization monitor :
 ----------------------
 Function evaluations : 12
 NL2SOL iteration     : 7

 Current parameters:
 Be -6.44023844E-03     2.37553638E-03    -2.55872137E-03     1.91449900E-03
    -1.28454902E-04    -1.99348288E-04     2.09088595E-05     1.75616027E-05
    -3.76553032E-06     4.81329758E-02    -3.10587229E-02     2.16693794E-02
    -6.57543765E-03     2.36000185E-03    -1.00435065E-04    -2.74477600E-04
     5.22954468E-06     1.57577795E-05    -1.03457478E-06 Bm  2.53186471E-02
    -2.02017838E-01     1.91358730E-02    -2.34495994E-02     6.93837976E-03
    -8.67914094E-04    -2.92090842E-04     6.72411409E-04    -1.92254299E-04
 BP  7.87086340E-03     3.95738030E-02     1.50555441E-02    -7.31056262E-03
     1.35622878E-01    -1.35606686E-02     7.13321219E-03     5.44013132E-02
    -6.28917386E-03    -7.44430845E-03     6.95743703E-02     1.29211702E-03
    -4.74050839E-02    -4.95862366E-03    -2.50970520E-02     2.16785375E-02
    -1.83407722E-03    -2.08403336E-02    -3.82946773E-02    -1.22878028E-04
     1.00778706E-02    -1.06857727E-02    -4.83805400E-03    -3.54163457E-03
    -6.49088783E-03    -3.46715476E-03    -2.47018144E-03     2.63624159E-03
     3.76849380E-03    -2.31673959E-03     6.82423467E-03    -4.51311310E-03
    -1.00011036E-03     5.29960143E-03     4.88302756E-03    -3.90131523E-03
     1.52456239E-03     2.36816697E-04     6.39533152E-03     1.35242284E-03
     7.69500275E-04    -9.74621446E-04    -5.57671691E-04     1.95482839E-04
     9.34801667E-02     1.63584572E-02     2.78860952E-02     8.65083567E-02
    -8.46926688E-03    -2.35768622E-01     1.30419819E-01     1.59546839E-02
    -1.15984998E-01     5.02204498E-02    -4.81807938E-02    -1.55620227E-01
     1.67806989E-01    -2.08797396E-02     5.90962197E-02     1.54590456E-03
    -2.37241589E-02     1.79000548E-03     5.33895746E-02    -4.07456532E-02
    -8.82134189E-02    -4.44103186E-02    -3.10316911E-03    -3.13464355E-02
     1.93621623E-02    -1.26685297E-03     2.86674820E-03     6.50479808E-03
     1.27010401E-02     6.22756481E-03    -1.33582460E-02     4.19506234E-02
     1.28158597E-02     7.87033899E-03     1.02422002E-01    -1.65358569E-03
     2.06596171E-02    -3.92725387E-04    -2.25231730E-02     7.16922153E-03
     2.37621014E-03    -8.56034608E-04    -2.24034315E-02    -8.65876636E-03
    -2.05095098E-03     5.95971538E-03    -5.66183324E-03    -7.79021014E-03
     6.14879021E-04    -1.93545251E-02     1.33670421E-01    -1.80394051E-02
    -2.12889238E-02    -8.78319192E-02     2.22350444E-02     2.81251216E-03
     7.71484119E-02    -3.83009154E-02    -2.08610213E-02    -2.54671046E-01
    -1.25777690E-02     1.14002011E-03    -5.19219304E-02     2.06257674E-02
     2.22309195E-02    -2.99608313E-02    -3.04739918E-02     1.47805863E-02
     5.07824996E-03    -3.50334434E-03     7.50586057E-03    -8.15245720E-03
     7.80761064E-02     1.07664021E-01     6.67080158E-03    -2.36004096E-02
     4.08693886E-03     2.77087293E-03     7.33887351E-03    -2.44342880E-03
    -2.45940587E-04    -1.05032455E-02    -3.33642711E-04    -1.08827945E-02
     3.30714022E-03    -1.05369994E-02     5.90569754E-03    -3.45621846E-02
    -6.08492588E-03     4.96465480E-03     2.31735762E-03     2.55584323E-04
     1.80151355E-03     2.41062099E-03     9.80354818E-03    -5.35645406E-03
    -5.17214504E-04    -8.31003410E-04     1.48083352E-03    -4.91349088E-03
    -3.11384234E-02     7.73869666E-02    -1.39670765E-02     1.47716328E-01
     2.19310521E-01    -6.04129652E-02    -2.82728569E-02     1.85137499E-02
    -1.82380321E-01    -7.46733167E-03     7.20350631E-02    -3.77452886E-02
    -1.09880467E-01    -1.69271972E-01    -1.45433538E-02    -3.97627028E-03
    -3.43139060E-02     2.43441522E-02     4.88632875E-02    -1.81953871E-03
    -1.42712770E-01    -7.72263101E-03     4.97007100E-02     8.95644516E-03
    -4.06297266E-02    -2.78384163E-03     1.86322211E-02     4.13352875E-02
    -4.41293239E-02     2.10308186E-02     2.87619761E-02     3.12977186E-02
    -6.80012500E-03     9.81807389E-04     5.61824414E-02    -6.87427554E-03
     9.37636022E-03    -3.29063077E-03     1.78335521E-02    -6.48651340E-03
     2.77105278E-03    -2.02688602E-02     2.71760891E-03    -2.76395856E-03
     3.99161296E-03    -8.65724971E-04    -1.07061796E-02     4.14028505E-03
    -3.06910285E-03 Ju  3.46497586E-03    -8.34750761E-05     1.79116867E-04
    -2.04965916E-04     4.03877152E-05     2.44791746E-05    -1.41756222E-05
     2.09409643E-06     6.38771458E-03    -9.15172360E-04     1.05657953E-03
    -4.31439968E-04     3.55140626E-05     4.67274344E-06     4.09338006E-06
    -7.77136607E-07 JX -3.82084811E-02    -1.59715453E-02     1.21894349E-02
    -5.48483464E-03     1.21577210E-03     2.17042307E-04    -3.75736810E-04
     7.75926239E-05 Jf -3.43955794E-05     4.70812391E-05    -9.28131991E-05
     8.09549348E-06    -8.06327335E-05     3.88133152E-05     2.18079184E-05
     6.70930016E-06     2.37915999E-05    -1.08802388E-04     2.85315115E-05
     3.32940157E-05    -3.23308913E-05     1.48514835E-05    -6.77732068E-06
     1.04762049E-05     1.56348237E-05     3.54168612E-05     1.22546300E-05
    -1.52487262E-05    -1.12111017E-05     2.66264936E-06    -1.81286659E-06
    -3.09532329E-06    -2.75118786E-06    -2.28473694E-06    -1.83086322E-05
     2.26343630E-04    -1.83794736E-05    -1.93256679E-04    -9.57068626E-05
     1.19955889E-04    -4.40631505E-04     1.33518612E-05    -5.25405027E-05
     7.84950187E-06    -4.16665302E-05     9.99533884E-05    -4.83803967E-05
    -5.46309354E-06     4.44325347E-06     4.86803427E-06     7.94003885E-06
    -4.08286051E-05     4.30803921E-05     5.53377138E-06    -4.84237185E-06
    -5.00764438E-06     4.98399615E-06    -2.22756723E-06    -2.66284046E-06
    -1.24923936E-06

 Accepted step:
    Unreweighted variance of energy (a.u.)  :   8.066504E-02 ->   7.822565E-02
           Unreweighted mean energy (a.u.)  :  -1.580514E+01 ->  -1.580498E+01


 Writing parameters to correlation.out.1.

 Computing derivatives.
 Done. [total CPU time: 8s]

 Optimization monitor :
 ----------------------
 Function evaluations : 13
 NL2SOL iteration     : 8

 Current parameters:
 Be -6.41581517E-03     3.06144550E-03    -2.94035959E-03     2.05446147E-03
    -1.38724172E-04    -2.13633194E-04     2.32884102E-05     1.85665500E-05
    -4.00262225E-06     4.80767886E-02    -3.02180648E-02     2.19934277E-02
    -7.35402135E-03     2.77299527E-03    -1.29693934E-04    -3.13017207E-04
     8.88975699E-06     1.86624809E-05    -1.51103014E-06 Bm  2.70329829E-02
    -2.12779251E-01     2.23637287E-02    -2.53916019E-02     7.45242602E-03
    -1.06199484E-03    -3.78739706E-04     7.13503602E-04    -2.01829621E-04
 BP  7.86367763E-03     4.26719016E-02     1.50193470E-02    -8.30859791E-03
     1.41025817E-01    -1.56173676E-02     7.43851041E-03     5.50851642E-02
    -6.32041864E-03    -8.24861882E-03     7.33535160E-02     1.05146020E-03
    -5.00596146E-02    -5.22977882E-03    -2.55009897E-02     2.17800566E-02
    -7.57315759E-04    -2.05189997E-02    -4.08605357E-02    -3.51149055E-04
     1.12637851E-02    -1.17258144E-02    -4.61498495E-03    -3.79821313E-03
    -6.72326196E-03    -3.64882644E-03    -2.54489401E-03     3.06682432E-03
     3.89615903E-03    -2.30447946E-03     7.45981633E-03    -5.77242232E-03
    -8.03598157E-04     5.69918113E-03     5.12386275E-03    -4.02191850E-03
     1.48956097E-03     2.89217682E-04     6.70074667E-03     1.49089777E-03
     7.79316895E-04    -1.16762710E-03    -5.79779638E-04     4.30770081E-04
     9.21696996E-02     1.64172761E-02     2.83142259E-02     8.78365552E-02
    -1.04227907E-03    -2.52102507E-01     1.35311448E-01     1.81488768E-02
    -1.22364112E-01     5.40828384E-02    -5.01064625E-02    -1.59607322E-01
     1.78931476E-01    -2.54434225E-02     6.24578459E-02     4.25269154E-03
    -2.44821386E-02     7.59578847E-05     5.26212983E-02    -4.12482673E-02
    -9.29792780E-02    -4.32560128E-02    -1.77124977E-03    -3.34487446E-02
     2.30998124E-02    -2.05788620E-03     4.58530659E-03     6.77129391E-03
     1.40663576E-02     5.84956102E-03    -1.36221965E-02     4.47080335E-02
     1.38129800E-02     8.09440734E-03     1.05843754E-01    -2.99335616E-03
     2.27031149E-02    -1.62311768E-03    -2.50212205E-02     7.70781338E-03
     2.61873383E-03    -8.70280237E-04    -2.39036543E-02    -9.08013764E-03
    -2.25665024E-03     6.03654046E-03    -5.51318680E-03    -8.20410618E-03
     6.86209762E-04    -2.07894289E-02     1.40432853E-01    -1.93591628E-02
    -2.38807374E-02    -9.30069193E-02     2.42807489E-02     4.25335317E-03
     8.03510887E-02    -4.12222715E-02    -2.27244330E-02    -2.62390062E-01
    -1.26057550E-02     7.27012072E-04    -5.40737900E-02     2.16632397E-02
     2.26044253E-02    -3.18103454E-02    -2.97039358E-02     1.67943392E-02
     6.06834179E-03    -3.86193493E-03     8.27995442E-03    -6.59433464E-03
     8.38220960E-02     1.09929175E-01     4.97192514E-03    -2.56108133E-02
     3.87700862E-03     2.67586051E-03     8.81941288E-03    -2.49962275E-03
    -1.97262432E-04    -1.12582981E-02    -4.86401246E-04    -1.18663706E-02
     3.50176619E-03    -1.18205225E-02     5.41211588E-03    -3.56703889E-02
    -4.92755852E-03     5.22041454E-03     2.23815134E-03     3.62251259E-04
     1.20020127E-03     2.46118587E-03     1.07575155E-02    -5.85102440E-03
    -5.38266893E-04    -8.02531429E-04     1.55914912E-03    -5.25914798E-03
    -3.00416829E-02     7.74551956E-02    -1.54461374E-02     1.54588244E-01
     2.30279244E-01    -7.25498342E-02    -2.48960097E-02     1.93810323E-02
    -1.91840157E-01    -1.65342607E-03     7.24802636E-02    -4.17051469E-02
    -1.12872670E-01    -1.77311525E-01    -1.48462772E-02    -3.54987023E-03
    -3.67869571E-02     2.56454851E-02     5.21480766E-02    -2.50452265E-03
    -1.52290997E-01    -7.93522183E-03     5.45494457E-02     1.03467887E-02
    -4.29059952E-02    -2.76840109E-03     2.05164580E-02     4.43110154E-02
    -4.69998787E-02     2.30702705E-02     3.08473595E-02     3.17494516E-02
    -7.69232271E-03     5.67616702E-04     5.78099841E-02    -7.55415646E-03
     9.32633355E-03    -3.20314815E-03     1.99622004E-02    -6.90295111E-03
     2.99769307E-03    -2.27432877E-02     2.69559256E-03    -3.06122606E-03
     4.12072638E-03    -6.36104226E-04    -1.14186597E-02     4.71628267E-03
    -3.18361864E-03 Ju  3.45180996E-03    -6.94636757E-05     1.94088901E-04
    -2.27809163E-04     4.37061492E-05     2.61633862E-05    -1.55656747E-05
     2.28849136E-06     6.40483092E-03    -9.26560818E-04     1.08368713E-03
    -4.55943477E-04     4.41762272E-05     3.33207859E-06     4.22252331E-06
    -7.94072081E-07 JX -3.81744852E-02    -1.65060028E-02     1.31932914E-02
    -6.04498427E-03     1.33424262E-03     2.43315198E-04    -4.03907386E-04
     8.24523913E-05 Jf -3.43545509E-05     4.98296058E-05    -9.66557058E-05
     3.91777661E-06    -8.11039082E-05     3.81396467E-05     2.00321218E-05
     5.51703876E-06     2.50013763E-05    -1.10228814E-04     2.99963761E-05
     3.39336165E-05    -3.64585605E-05     1.62401894E-05    -6.82740592E-06
     1.16248340E-05     1.64017556E-05     3.47866711E-05     1.33705603E-05
    -1.58518217E-05    -1.20299008E-05     2.83515113E-06    -1.98748209E-06
    -3.35731241E-06    -3.02961089E-06    -2.37143947E-06    -1.75857982E-05
     2.38787001E-04    -2.12009963E-05    -2.00294672E-04    -1.00042270E-04
     1.26461300E-04    -4.60507273E-04     1.41559908E-05    -5.19712879E-05
     8.50695632E-06    -4.85034800E-05     1.08408860E-04    -4.94186935E-05
    -5.59953198E-06     7.65883720E-06     4.90355165E-06     7.40478025E-06
    -4.30255420E-05     4.63096060E-05     4.29017168E-06    -7.09832299E-06
    -5.33965242E-06     5.37420145E-06    -2.08429040E-06    -2.92992205E-06
    -1.10602614E-06

 Rejected step:
 Variance  :   7.822565E-02 ->   8.886709E-02
 Energy    :  -1.580498E+01 ->  -1.580862E+01

 Current parameters:
 Be -6.45094149E-03     2.55889317E-03    -2.64402668E-03     1.96242161E-03
    -1.31936937E-04    -2.04514397E-04     2.13712828E-05     1.79112799E-05
    -3.82561616E-06     4.81333813E-02    -3.08073341E-02     2.17874435E-02
    -6.78722152E-03     2.47353251E-03    -1.10024588E-04    -2.85544748E-04
     6.35325558E-06     1.66268591E-05    -1.17867933E-06 Bm  2.59163415E-02
    -2.05330807E-01     1.98561163E-02    -2.39342270E-02     7.14706374E-03
    -9.07531214E-04    -3.19494386E-04     6.81038602E-04    -1.95276694E-04
 BP  7.88713893E-03     4.05191714E-02     1.50588307E-02    -7.61785202E-03
     1.37415911E-01    -1.40643982E-02     7.21796469E-03     5.47453022E-02
    -6.40262822E-03    -7.68411206E-03     7.07024740E-02     1.22725519E-03
    -4.82438524E-02    -5.04614311E-03    -2.52617000E-02     2.17456021E-02
    -1.55352632E-03    -2.07768040E-02    -3.90661049E-02    -1.73394927E-04
     1.04364815E-02    -1.09743894E-02    -4.82251131E-03    -3.61616064E-03
    -6.56671370E-03    -3.51645882E-03    -2.49635906E-03     2.75783515E-03
     3.81189595E-03    -2.32487500E-03     7.01898109E-03    -4.89571127E-03
    -9.51248157E-04     5.41970689E-03     4.95401953E-03    -3.94224204E-03
     1.55501651E-03     2.50141374E-04     6.48520490E-03     1.39143099E-03
     7.73477303E-04    -1.02915789E-03    -5.64171544E-04     2.49893853E-04
     9.32312544E-02     1.63902291E-02     2.78933556E-02     8.68829410E-02
    -6.64819977E-03    -2.40391354E-01     1.31832306E-01     1.66428667E-02
    -1.17917234E-01     5.13046542E-02    -4.87989267E-02    -1.56906581E-01
     1.71103718E-01    -2.20864169E-02     6.00646772E-02     2.39414864E-03
    -2.39622372E-02     1.42779021E-03     5.32105535E-02    -4.09622589E-02
    -8.97198259E-02    -4.41424578E-02    -2.71007363E-03    -3.19620404E-02
     2.04829354E-02    -1.46854736E-03     3.30578433E-03     6.55373198E-03
     1.31097720E-02     6.14489587E-03    -1.34599948E-02     4.27671606E-02
     1.31040668E-02     7.94451504E-03     1.03510236E-01    -2.03852061E-03
     2.12718353E-02    -7.25691140E-04    -2.32475268E-02     7.33560184E-03
     2.44553748E-03    -8.85183545E-04    -2.28569792E-02    -8.78367056E-03
    -2.11415645E-03     5.99726974E-03    -5.62272046E-03    -7.91182215E-03
     6.34647465E-04    -1.97592557E-02     1.35641486E-01    -1.83937102E-02
    -2.20197003E-02    -8.94431588E-02     2.29078695E-02     3.20323204E-03
     7.81353763E-02    -3.92026807E-02    -2.13601293E-02    -2.56993662E-01
    -1.25940429E-02     1.02634147E-03    -5.25495616E-02     2.09161880E-02
     2.22916585E-02    -3.05083856E-02    -3.03147274E-02     1.53965975E-02
     5.35863934E-03    -3.60511382E-03     7.73932556E-03    -7.75795944E-03
     7.97251766E-02     1.08480363E-01     6.19969144E-03    -2.41800866E-02
     4.02656752E-03     2.74005819E-03     7.80184130E-03    -2.46387694E-03
    -2.39419155E-04    -1.07229413E-02    -3.70693578E-04    -1.11685304E-02
     3.36537415E-03    -1.08971891E-02     5.77268247E-03    -3.49067616E-02
    -5.77284054E-03     5.03768082E-03     2.29734044E-03     2.83572227E-04
     1.64085413E-03     2.42904126E-03     1.00780250E-02    -5.50132142E-03
    -5.25260498E-04    -8.22668742E-04     1.50491569E-03    -5.05538405E-03
    -3.08047962E-02     7.74557250E-02    -1.43507819E-02     1.49910774E-01
     2.22596045E-01    -6.38759603E-02    -2.73746737E-02     1.86665100E-02
    -1.85110565E-01    -5.90707462E-03     7.22080169E-02    -3.88531163E-02
    -1.10931996E-01    -1.71659463E-01    -1.46711297E-02    -3.89878204E-03
    -3.50413884E-02     2.47672910E-02     4.98689719E-02    -2.07325214E-03
    -1.45473189E-01    -7.80505233E-03     5.10802798E-02     9.34759381E-03
    -4.13404238E-02    -2.78522793E-03     1.91651192E-02     4.21345864E-02
    -4.49950041E-02     2.16142786E-02     2.93639418E-02     3.14923584E-02
    -7.02487336E-03     8.75700842E-04     5.66756487E-02    -7.07416031E-03
     9.36972002E-03    -3.24348186E-03     1.84419312E-02    -6.60447017E-03
     2.84334255E-03    -2.09563124E-02     2.71551653E-03    -2.83837339E-03
     4.03412219E-03    -8.06229852E-04    -1.09297138E-02     4.29957085E-03
    -3.10658762E-03 Ju  3.46631500E-03    -7.73525047E-05     1.80316792E-04
    -2.06303782E-04     4.19055859E-05     2.56147264E-05    -1.45226776E-05
     2.13148545E-06     6.39358807E-03    -9.18683157E-04     1.06504483E-03
    -4.39021802E-04     3.80457827E-05     4.33688808E-06     4.11972063E-06
    -7.81879628E-07 JX -3.81927255E-02    -1.61248284E-02     1.24706249E-02
    -5.63770308E-03     1.26955596E-03     2.28146760E-04    -3.79425743E-04
     7.89374178E-05 Jf -3.43304401E-05     4.76213191E-05    -9.39914559E-05
     7.32827017E-06    -8.09203210E-05     3.87107284E-05     2.09734863E-05
     6.32172866E-06     2.42180206E-05    -1.09399807E-04     2.90431666E-05
     3.34757105E-05    -3.34244525E-05     1.52386809E-05    -6.79342130E-06
     1.08021663E-05     1.58756556E-05     3.53090293E-05     1.25433342E-05
    -1.54081691E-05    -1.14947306E-05     2.70764928E-06    -1.86115447E-06
    -3.16606068E-06    -2.82685787E-06    -2.31405397E-06    -1.80509832E-05
     2.30143935E-04    -1.90935305E-05    -1.95470788E-04    -9.70729027E-05
     1.21913608E-04    -4.46758748E-04     1.36578323E-05    -5.24137020E-05
     8.05692270E-06    -4.36180520E-05     1.02422406E-04    -4.87519427E-05
    -5.50932451E-06     5.33456301E-06     4.88649592E-06     7.82556795E-06
    -4.14645768E-05     4.40092162E-05     5.17289238E-06    -5.43955001E-06
    -5.10497806E-06     5.09990592E-06    -2.19936437E-06    -2.74027041E-06
    -1.21250839E-06

 Accepted step:
    Unreweighted variance of energy (a.u.)  :   7.822565E-02 ->   7.450039E-02
           Unreweighted mean energy (a.u.)  :  -1.580498E+01 ->  -1.580431E+01


 Writing parameters to correlation.out.1.

 Computing derivatives.
 Done. [total CPU time: 8s]

 Optimization monitor :
 ----------------------
 Function evaluations : 15
 NL2SOL iteration     : 9

 Current parameters:
 Be -6.45810529E-03     2.75035046E-03    -2.74074781E-03     2.00634227E-03
    -1.35547790E-04    -2.09299384E-04     2.19574596E-05     1.82535683E-05
    -3.89112007E-06     4.81225498E-02    -3.05660842E-02     2.18989125E-02
    -7.00314228E-03     2.58870684E-03    -1.19016199E-04    -2.96573266E-04
     7.43326597E-06     1.74772112E-05    -1.31853044E-06 Bm  2.64796303E-02
    -2.08344798E-01     2.05994479E-02    -2.44775701E-02     7.32215143E-03
    -9.54788557E-04    -3.45583786E-04     6.91154632E-04    -1.98096690E-04
 BP  7.89182801E-03     4.14183102E-02     1.50859027E-02    -7.92483645E-03
     1.39098165E-01    -1.45466551E-02     7.30371755E-03     5.50666779E-02
    -6.47344741E-03    -7.91807189E-03     7.18465129E-02     1.16239307E-03
    -4.90355489E-02    -5.12879736E-03    -2.53798425E-02     2.18241124E-02
    -1.26079327E-03    -2.07079669E-02    -3.98517720E-02    -2.25779347E-04
     1.07700559E-02    -1.12649060E-02    -4.78087108E-03    -3.69052326E-03
    -6.64825911E-03    -3.56456928E-03    -2.52002564E-03     2.87546272E-03
     3.85122866E-03    -2.33730417E-03     7.21348973E-03    -5.27121717E-03
    -8.95059757E-04     5.53764553E-03     5.02356010E-03    -3.97880814E-03
     1.56684273E-03     2.63863923E-04     6.57216280E-03     1.43222797E-03
     7.77059395E-04    -1.08391453E-03    -5.70143163E-04     3.15969030E-04
     9.29476337E-02     1.64079060E-02     2.79326930E-02     8.71381843E-02
    -4.71761362E-03    -2.44894475E-01     1.33173589E-01     1.73893401E-02
    -1.19761269E-01     5.23738471E-02    -4.94126960E-02    -1.58146440E-01
     1.74370108E-01    -2.33398630E-02     6.10157976E-02     3.23339033E-03
    -2.41644538E-02     1.00775151E-03     5.29721704E-02    -4.10691634E-02
    -9.12107249E-02    -4.38647916E-02    -2.34162718E-03    -3.25586190E-02
     2.16183155E-02    -1.68092222E-03     3.74281706E-03     6.59876608E-03
     1.35157929E-02     6.04982537E-03    -1.35407269E-02     4.35505755E-02
     1.33904821E-02     8.01305160E-03     1.04551313E-01    -2.42535297E-03
     2.18877205E-02    -1.07556658E-03    -2.39478242E-02     7.50208927E-03
     2.51342050E-03    -9.18835439E-04    -2.32988464E-02    -8.89656934E-03
    -2.17668273E-03     6.02879524E-03    -5.58268600E-03    -8.02598493E-03
     6.53322596E-04    -2.01682666E-02     1.37586217E-01    -1.87287513E-02
    -2.27495557E-02    -9.10743569E-02     2.35314789E-02     3.61129988E-03
     7.91316490E-02    -4.00246483E-02    -2.18658684E-02    -2.59223100E-01
    -1.26072706E-02     9.15374853E-04    -5.31507543E-02     2.11980001E-02
     2.23591091E-02    -3.10476748E-02    -3.01609678E-02     1.59712384E-02
     5.64200327E-03    -3.70963585E-03     7.98241456E-03    -7.32539140E-03
     8.13707929E-02     1.09262362E-01     5.73434213E-03    -2.47552680E-02
     3.95965554E-03     2.70361687E-03     8.24909156E-03    -2.48428675E-03
    -2.39990042E-04    -1.09432804E-02    -4.10242040E-04    -1.14520813E-02
     3.42658768E-03    -1.12816591E-02     5.62943249E-03    -3.52096334E-02
    -5.44373092E-03     5.10793031E-03     2.27291490E-03     3.11161692E-04
     1.47374623E-03     2.44500228E-03     1.03515560E-02    -5.64246348E-03
    -5.32280542E-04    -8.14448152E-04     1.52753911E-03    -5.17327660E-03
    -3.04576595E-02     7.74733910E-02    -1.47476341E-02     1.52005924E-01
     2.25783640E-01    -6.73329606E-02    -2.64018944E-02     1.88543313E-02
    -1.87778094E-01    -4.29910242E-03     7.23392791E-02    -3.99845648E-02
    -1.11922390E-01    -1.74000309E-01    -1.47781284E-02    -3.80542463E-03
    -3.57543893E-02     2.51694401E-02     5.08300802E-02    -2.28787656E-03
    -1.48248725E-01    -7.88195380E-03     5.24554842E-02     9.73836912E-03
    -4.20191881E-02    -2.78227159E-03     1.97020864E-02     4.29357675E-02
    -4.58389104E-02     2.21915529E-02     2.99574324E-02     3.16488222E-02
    -7.25810629E-03     7.66759848E-04     5.71404697E-02    -7.28167216E-03
     9.38696011E-03    -3.19768567E-03     1.90594603E-02    -6.71881950E-03
     2.91500024E-03    -2.16444454E-02     2.71443938E-03    -2.90989386E-03
     4.07454012E-03    -7.46518945E-04    -1.11436281E-02     4.46067991E-03
    -3.14371465E-03 Ju  3.46685800E-03    -7.11226268E-05     1.81812796E-04
    -2.09816095E-04     4.31970096E-05     2.64788796E-05    -1.48939645E-05
     2.17575030E-06     6.39866846E-03    -9.22115520E-04     1.07312403E-03
    -4.46311522E-04     4.05371171E-05     3.97819143E-06     4.15138380E-06
    -7.86705647E-07 JX -3.81715300E-02    -1.62730779E-02     1.27528982E-02
    -5.79625702E-03     1.31577223E-03     2.38148046E-04    -3.84398596E-04
     8.01003340E-05 Jf -3.42664905E-05     4.81638800E-05    -9.51679833E-05
     6.46019684E-06    -8.11223553E-05     3.85218098E-05     2.01544170E-05
     5.91271479E-06     2.45542257E-05    -1.09911972E-04     2.95499317E-05
     3.36064611E-05    -3.45347476E-05     1.56361248E-05    -6.80267162E-06
     1.11280447E-05     1.61036918E-05     3.51810611E-05     1.28339967E-05
    -1.55610137E-05    -1.17956961E-05     2.75468254E-06    -1.90703433E-06
    -3.23953376E-06    -2.90251892E-06    -2.33883092E-06    -1.78146428E-05
     2.33816141E-04    -1.98617371E-05    -1.97581847E-04    -9.83779738E-05
     1.23851501E-04    -4.52685556E-04     1.38935756E-05    -5.23312231E-05
     8.27434164E-06    -4.55810933E-05     1.04867074E-04    -4.90988130E-05
    -5.54718799E-06     6.22730899E-06     4.90711687E-06     7.70061940E-06
    -4.20733932E-05     4.49392049E-05     4.81071779E-06    -6.06872533E-06
    -5.20267650E-06     5.21451904E-06    -2.17145882E-06    -2.81531512E-06
    -1.17250709E-06

 Accepted step:
    Unreweighted variance of energy (a.u.)  :   7.450039E-02 ->   7.359864E-02
           Unreweighted mean energy (a.u.)  :  -1.580431E+01 ->  -1.580420E+01


 Writing parameters to correlation.out.1.

 Computing derivatives.
 Done. [total CPU time: 8s]

 Optimization monitor :
 ----------------------
 Function evaluations : 16
 NL2SOL iteration     : 10

 Current parameters:
 Be -6.44047736E-03     3.12828162E-03    -2.95884366E-03     2.08207939E-03
    -1.40894693E-04    -2.17001865E-04     2.32747106E-05     1.87960068E-05
    -4.01896311E-06     4.80908626E-02    -3.01228903E-02     2.20651379E-02
    -7.43455033E-03     2.81601759E-03    -1.33994318E-04    -3.17512121E-04
     9.36195749E-06     1.90350213E-05    -1.57273308E-06 Bm  2.73216939E-02
    -2.13760611E-01     2.22653085E-02    -2.55803512E-02     7.58655999E-03
    -1.06668070E-03    -3.93607957E-04     7.14288472E-04    -2.02969277E-04
 BP  7.88065336E-03     4.31055238E-02     1.50614131E-02    -8.48530979E-03
     1.42024652E-01    -1.55657858E-02     7.46257153E-03     5.54111614E-02
    -6.50449717E-03    -8.34856873E-03     7.39803278E-02     1.03322079E-03
    -5.04419909E-02    -5.27750540E-03    -2.55237220E-02     2.19036520E-02
    -6.57567969E-04    -2.05394230E-02    -4.13091911E-02    -3.47041691E-04
     1.14005961E-02    -1.18248703E-02    -4.64119496E-03    -3.83151987E-03
    -6.78722271E-03    -3.65629772E-03    -2.55927630E-03     3.10537944E-03
     3.91601152E-03    -2.33147733E-03     7.57122076E-03    -5.97296762E-03
    -7.81101923E-04     5.75558720E-03     5.15285092E-03    -4.03798660E-03
     1.53607599E-03     2.91847840E-04     6.72923042E-03     1.51061443E-03
     7.82551999E-04    -1.18946144E-03    -5.81247541E-04     4.66338216E-04
     9.21660755E-02     1.64459390E-02     2.81958108E-02     8.76331802E-02
    -5.98010586E-04    -2.53477300E-01     1.35734794E-01     1.87238483E-02
    -1.23144521E-01     5.44131634E-02    -5.04648083E-02    -1.60231853E-01
     1.80452717E-01    -2.58945638E-02     6.28395561E-02     4.71247659E-03
    -2.45242754E-02     1.76819671E-05     5.24356774E-02    -4.11895712E-02
    -9.38689734E-02    -4.32376636E-02    -1.66891960E-03    -3.36719482E-02
     2.36979481E-02    -2.12591017E-03     4.64316408E-03     6.73896152E-03
     1.42524055E-02     5.83105216E-03    -1.36458539E-02     4.50216266E-02
     1.39322240E-02     8.13427456E-03     1.06396113E-01    -3.13965794E-03
     2.30076860E-02    -1.77681929E-03    -2.52747925E-02     7.79510581E-03
     2.63978301E-03    -9.54738622E-04    -2.41113290E-02    -9.11443649E-03
    -2.29069499E-03     6.07019051E-03    -5.49870269E-03    -8.24042849E-03
     6.90347396E-04    -2.09552795E-02     1.41221263E-01    -1.94128334E-02
    -2.41548314E-02    -9.39619263E-02     2.46020038E-02     4.42043900E-03
     8.08896462E-02    -4.15604919E-02    -2.28959821E-02    -2.63314016E-01
    -1.26217465E-02     6.93941848E-04    -5.42815851E-02     2.17598872E-02
     2.25818089E-02    -3.20483604E-02    -2.97446940E-02     1.70292759E-02
     6.18831226E-03    -3.90397038E-03     8.41581164E-03    -6.42498920E-03
     8.45013325E-02     1.10470758E-01     4.82217895E-03    -2.58480630E-02
     3.84242398E-03     2.64377045E-03     9.01812002E-03    -2.51588212E-03
    -2.25538313E-04    -1.13554764E-02    -4.95525158E-04    -1.19862592E-02
     3.53547349E-03    -1.20130701E-02     5.33911943E-03    -3.57593548E-02
    -4.78601849E-03     5.24437069E-03     2.22519644E-03     3.68297620E-04
     1.13838933E-03     2.46945836E-03     1.08697891E-02    -5.90568961E-03
    -5.42639230E-04    -7.99370136E-04     1.56830718E-03    -5.34485128E-03
    -2.98197572E-02     7.74471181E-02    -1.55669164E-02     1.55685337E-01
     2.31673505E-01    -7.39372560E-02    -2.44538806E-02     1.93225668E-02
    -1.92856141E-01    -1.07361086E-03     7.25206124E-02    -4.21738077E-02
    -1.13490496E-01    -1.78317415E-01    -1.49074474E-02    -3.56367636E-03
    -3.70944695E-02     2.58632374E-02     5.25692743E-02    -2.60785923E-03
    -1.53475673E-01    -7.99980725E-03     5.50992716E-02     1.04948593E-02
    -4.32302800E-02    -2.76978223E-03     2.07334245E-02     4.45506271E-02
    -4.73861170E-02     2.32891709E-02     3.10793678E-02     3.18615227E-02
    -7.75101917E-03     5.41477258E-04     5.79947720E-02    -7.67427481E-03
     9.36462833E-03    -3.14931832E-03     2.02315278E-02    -6.94192039E-03
     3.03884115E-03    -2.29903960E-02     2.70098318E-03    -3.06904025E-03
     4.14225561E-03    -6.18637736E-04    -1.15213913E-02     4.77371704E-03
    -3.20531779E-03 Ju  3.45852537E-03    -6.34630254E-05     1.88823607E-04
    -2.21788455E-04     4.50738492E-05     2.74344127E-05    -1.56614630E-05
     2.28180572E-06     6.40706138E-03    -9.28489664E-04     1.08755430E-03
    -4.59325606E-04     4.52142689E-05     3.22122321E-06     4.22798986E-06
    -7.96164431E-07 JX -3.81460917E-02    -1.65562360E-02     1.32963986E-02
    -6.10806001E-03     1.38406928E-03     2.53516088E-04    -3.98613569E-04
     8.24082927E-05 Jf -3.42396666E-05     4.94953403E-05    -9.72493854E-05
     4.24043472E-06    -8.12327866E-05     3.80198341E-05     1.89686689E-05
     5.16879213E-06     2.51220077E-05    -1.10617767E-04     3.03847581E-05
     3.38582444E-05    -3.67752790E-05     1.64010970E-05    -6.81806204E-06
     1.17484644E-05     1.64934449E-05     3.48564107E-05     1.34298316E-05
    -1.58721156E-05    -1.22956660E-05     2.84832592E-06    -1.99894236E-06
    -3.37980135E-06    -3.05178471E-06    -2.37909740E-06    -1.74313999E-05
     2.40474253E-04    -2.14625080E-05    -2.01225375E-04    -1.00670053E-04
     1.27356806E-04    -4.63334616E-04     1.42569166E-05    -5.20451243E-05
     8.64577644E-06    -4.93477221E-05     1.09490323E-04    -4.96500405E-05
    -5.61496084E-06     7.97189001E-06     4.92891160E-06     7.39530345E-06
    -4.32511317E-05     4.67091841E-05     4.12547461E-06    -7.31657294E-06
    -5.38524686E-06     5.42609029E-06    -2.09396583E-06    -2.95718171E-06
    -1.09288637E-06

 Rejected step:
 Variance  :   7.359864E-02 ->   7.674540E-02
 Energy    :  -1.580420E+01 ->  -1.580517E+01

 Current parameters:
 Be -6.45831061E-03     2.86788315E-03    -2.79771528E-03     2.03433616E-03
    -1.37520756E-04    -2.12267559E-04     2.22574272E-05     1.84455906E-05
    -3.92509742E-06     4.81196458E-02    -3.04191982E-02     2.19629336E-02
    -7.13604575E-03     2.65940055E-03    -1.24205860E-04    -3.03249404E-04
     8.06867028E-06     1.79844509E-05    -1.40144962E-06 Bm  2.67900388E-02
    -2.10184176E-01     2.10097946E-02    -2.47875298E-02     7.44442666E-03
    -9.80525815E-04    -3.62104325E-04     6.96799473E-04    -1.99889969E-04
 BP  7.89458541E-03     4.19835472E-02     1.50660502E-02    -8.11696312E-03
     1.40116227E-01    -1.48233227E-02     7.35445014E-03     5.52336854E-02
    -6.52142526E-03    -8.06147028E-03     7.25443591E-02     1.12439851E-03
    -4.95176158E-02    -5.18006067E-03    -2.54417587E-02     2.18620413E-02
    -1.08035056E-03    -2.06563898E-02    -4.03295008E-02    -2.58192481E-04
     1.09895470E-02    -1.14381193E-02    -4.75735750E-03    -3.73633076E-03
    -6.69645154E-03    -3.59338172E-03    -2.53467662E-03     2.94816368E-03
     3.87354946E-03    -2.33681604E-03     7.33311896E-03    -5.50797053E-03
    -8.63417366E-04     5.60810758E-03     5.06522605E-03    -4.00073399E-03
     1.57581705E-03     2.71335159E-04     6.62179438E-03     1.45668841E-03
     7.79550315E-04    -1.11676235E-03    -5.73454405E-04     3.65334292E-04
     9.27316343E-02     1.64123678E-02     2.79558595E-02     8.72138362E-02
    -3.56770078E-03    -2.47569347E-01     1.33985230E-01     1.78368957E-02
    -1.20849608E-01     5.30483868E-02    -4.97809105E-02    -1.58821698E-01
     1.76384162E-01    -2.40969516E-02     6.16156658E-02     3.73161273E-03
    -2.42796123E-02     7.36025693E-04     5.27999981E-02    -4.11490176E-02
    -9.21371405E-02    -4.36925736E-02    -2.12288498E-03    -3.29156729E-02
     2.23120698E-02    -1.81293882E-03     4.00544153E-03     6.63322285E-03
     1.37568239E-02     5.98957029E-03    -1.35840485E-02     4.40264104E-02
     1.35631312E-02     8.05494887E-03     1.05181461E-01    -2.64926226E-03
     2.22530655E-02    -1.29193222E-03    -2.43662293E-02     7.60036098E-03
     2.55194021E-03    -9.41994295E-04    -2.35673260E-02    -8.96776311E-03
    -2.21482732E-03     6.04821952E-03    -5.55722486E-03    -8.09504122E-03
     6.65167319E-04    -2.04174370E-02     1.38758364E-01    -1.89343676E-02
    -2.31905062E-02    -9.20342247E-02     2.39070423E-02     3.86285261E-03
     7.97066472E-02    -4.05339935E-02    -2.21789660E-02    -2.60557441E-01
    -1.26156415E-02     8.47359165E-04    -5.35117249E-02     2.13723247E-02
     2.24134501E-02    -3.13719255E-02    -3.00531277E-02     1.63192610E-02
     5.81471356E-03    -3.77222435E-03     8.12576999E-03    -7.05815149E-03
     8.23670092E-02     1.09708473E-01     5.44996050E-03    -2.51046640E-02
     3.92055406E-03     2.68228866E-03     8.51241888E-03    -2.49654993E-03
    -2.39238117E-04    -1.10755141E-02    -4.35039570E-04    -1.16227879E-02
     3.46286497E-03    -1.15140485E-02     5.53860701E-03    -3.53866786E-02
    -5.23987781E-03     5.15015330E-03     2.25789253E-03     3.28264297E-04
     1.37055205E-03     2.45386517E-03     1.05167816E-02    -5.72715128E-03
    -5.36120814E-04    -8.09609273E-04     1.54102173E-03    -5.24365551E-03
    -3.02454138E-02     7.74837514E-02    -1.49975153E-02     1.53254847E-01
     2.27700238E-01    -6.94247967E-02    -2.58085500E-02     1.89703383E-02
    -1.89390959E-01    -3.29832914E-03     7.24040121E-02    -4.06697947E-02
    -1.12483569E-01    -1.75405084E-01    -1.48327384E-02    -3.74578886E-03
    -3.61876088E-02     2.54046966E-02     5.14032443E-02    -2.41813627E-03
    -1.49914693E-01    -7.92816048E-03     5.32938715E-02     9.97431241E-03
    -4.24218135E-02    -2.77992369E-03     2.00261639E-02     4.34278648E-02
    -4.63453504E-02     2.25410411E-02     3.03144960E-02     3.17385591E-02
    -7.40393072E-03     6.99894121E-04     5.74248513E-02    -7.40881844E-03
     9.38313130E-03    -3.17305628E-03     1.94327691E-02    -6.78912096E-03
     2.95690101E-03    -2.20639825E-02     2.71124642E-03    -2.95724156E-03
     4.09758809E-03    -7.07792988E-04    -1.12692475E-02     4.55853988E-03
    -3.16487870E-03 Ju  3.46701622E-03    -6.75194233E-05     1.82509821E-04
    -2.10755129E-04     4.41064352E-05     2.71509901E-05    -1.51065665E-05
     2.19894286E-06     6.40213673E-03    -9.24140065E-04     1.07792087E-03
    -4.50643536E-04     4.20377284E-05     3.75517015E-06     4.17332546E-06
    -7.90016309E-07 JX -3.81613260E-02    -1.63617072E-02     1.29194324E-02
    -5.89083052E-03     1.35012887E-03     2.45182819E-04    -3.86407033E-04
     8.08442067E-05 Jf -3.42263813E-05     4.83485192E-05    -9.58762912E-05
     6.06052185E-06    -8.11840423E-05     3.83923418E-05     1.94850938E-05
     5.62814749E-06     2.47749757E-05    -1.10233044E-04     2.98604134E-05
     3.36516173E-05    -3.51960930E-05     1.58729063E-05    -6.80793550E-06
     1.13227168E-05     1.62341547E-05     3.51236906E-05     1.30050791E-05
    -1.56522547E-05    -1.19671695E-05     2.78117582E-06    -1.93663505E-06
    -3.28278263E-06    -2.94851293E-06    -2.35261443E-06    -1.76682704E-05
     2.36011757E-04    -2.03319612E-05    -1.98810523E-04    -9.91471285E-05
     1.25002058E-04    -4.56221401E-04     1.40288967E-05    -5.22617115E-05
     8.39977365E-06    -4.67742235E-05     1.06354973E-04    -4.92951671E-05
    -5.57192281E-06     6.77281064E-06     4.91617096E-06     7.61665641E-06
    -4.24479405E-05     4.55033677E-05     4.59233840E-06    -6.45089397E-06
    -5.26205652E-06     5.28255686E-06    -2.15120735E-06    -2.86059946E-06
    -1.14766559E-06

 Accepted step:
    Unreweighted variance of energy (a.u.)  :   7.359864E-02 ->   7.218731E-02
           Unreweighted mean energy (a.u.)  :  -1.580420E+01 ->  -1.580396E+01


 Writing parameters to correlation.out.1.

 Computing derivatives.
 Done. [total CPU time: 9s]

 NL2SOL return code : 10
 Exceeded OPT_MAXITER iterations.

 Optimization halted: minimum not reached within target accuracy.

 Iterations           : 10
 Function evaluations : 28
 Variance reduced to  : 0.72187311E-01

 Writing parameters to correlation.out.1.


 *     *     *     *     *     *     *     *     *     *     *     *

 =========================================================
 PERFORMING VMC CONFIGURATION-GENERATION CALCULATION No. 2
 =========================================================


 BEGIN VMC CALCULATION
 =====================

 Random number generator reset to state in config.in.

 Running VMC equilibration (5000 moves).
  Performing time-step optimization.
  Optimized DTVMC:  2.1918E-02
 Done. [total CPU time: 0s]

 Kinetic energy check performed.
  Slater determinants - gradient: optimal, Laplacian: optimal.
  Jastrow factor - gradient: optimal, Laplacian: optimal.
 End of report.

 Starting VMC.

 =========================================================================
 In block : 1

 Acceptance ratio <level 1>        (%)  =  53.8200
 Acceptance ratio <levels 1-2>     (%)  =  50.3900
 Diffusion constant           (Bohr^2)  = 3.1623E-02
 Correlation time              (steps)  = 1.4804E+00 +- 1.5054E-01
 Efficiency               (au^-2 s^-1)  = 1.7126E+04
 No. of VMC steps per MPI process       = 500

  Block average energies (au)

  Total energy                       (au) =         -15.846892139224
  Standard error                        +/-           0.010813412357

  Kinetic energy KEI (used in Total) (au) =          11.876722041742
  Standard error                        +/-           0.175594529588

  Kinetic energy TI                  (au) =          12.805025374788
  Standard error                        +/-           0.825265121910

  Kinetic energy FISQ                (au) =          13.733328707835
  Standard error                        +/-           1.621949279054

  Potential energy                   (au) =         -27.723614180967
  Standard error                        +/-           0.179000568715

  e-e interaction                    (au) =          10.372869346417
  Standard error                        +/-           0.053822395288

  e-i interaction (local)            (au) =         -38.443645949628
  Standard error                        +/-           0.174818486840

  e-i interaction (non-local)        (au) =           0.347162422245
  Standard error                        +/-           0.119897353423

  Variance of local energy           (au) =           0.225393791761
  Standard error                        +/-           0.061282935038

  Maximum distance from origin       (au) =           5.123422543399

  Particles within backflow range   (%) :  99.8462


 Time taken in block    : : :        0.3500 s

 =========================================================================
 FINAL RESULT:

  VMC energy (au)    Standard error      Correction for serial correlation

 -15.846892139224 +/- 0.010813412357      No correction
 -15.846892139224 +/- 0.013156728510      Correlation time method
 -15.846892139224 +/- 0.014423886760      On-the-fly reblocking method

 Bad reblock convergence - probably not enough data samples.

 Dumping reblock data for energy:
      mean:    -15.846892139224 +/-       0.014423886760
    stderr:      0.014423886760 +/-       0.001854405116
    errfac:      1.333888534302 +/-       0.171491205082
    N_corr:      1.779258621941 +/-       0.457500304385
   ------------------------------------------------------
    Block len      Std error   Err in error
            1   1.081341E-02   3.422926E-04
            2   1.139634E-02   5.106823E-04
            4   1.206987E-02   7.664378E-04
            8   1.343877E-02   1.211733E-03
           16   1.442389E-02   1.854405E-03  *** BEST ***
           32   1.374753E-02   2.541919E-03
           64   1.798560E-02   4.872555E-03
          128   1.811182E-02   7.512432E-03
   ------------------------------------------------------

  Sample variance of E_L (au^2/sim.cell) : 0.225393791761

 =========================================================================


 *     *     *     *     *     *     *     *     *     *     *     *

 =========================================
 PERFORMING OPTIMIZATION CALCULATION No. 2
 =========================================

 Energy minimization configuration
 =================================

 Energy minimization internal setup:
 ---------------------------------------------------
 Optimize                       :  energy
 Target function                :  energy + 3*error
 xi parameter for semiorthog.   :  1.000000
 Weights in corr. sampling      :  yes
 Matrix regularization          :  normalized basis
 H matrix manipulation          :  on
 Fix E_NL in correl. sampling   :  T
 ---------------------------------------------------

 There are 304 optimizable parameters.
 Will optimize all of them.

 Random number generator reset to state in config.in.

 Number of MPI processes                               : 4
 Number of configurations per MPI process              : 500
 Total number of configurations                        : 2000

 Stored VMC result suggests minimum energy of -17.745834057496346 a.u.
 This minimum will be enforced.

 Optimization workspace:
 ---------------------------------------------------
 No. of variable parameters (P) :               304
 No. of configurations (C)      :              2000
 ---------------------------------------------------
 Configuration storage          :          70.3 KiB
 Vectors of size C              :          39.0 KiB
 Matrices of size P^2           :          4.25 MiB
 ---------------------------------------------------
 Total memory req. per MPI proc.:          4.36 MiB
 ---------------------------------------------------

 Optimization start
 ==================

 Optimization monitor :
 ----------------------
 Start of minimization process
 Parameters:
 Be  5.0000000E+00*    -6.45831061E-03     2.86788315E-03    -2.79771528E-03
     2.03433616E-03    -1.37520756E-04    -2.12267559E-04     2.22574272E-05
     1.84455906E-05    -3.92509742E-06     5.0000000E+00*     4.81196458E-02
    -3.04191982E-02     2.19629336E-02    -7.13604575E-03     2.65940055E-03
    -1.24205860E-04    -3.03249404E-04     8.06867028E-06     1.79844509E-05
    -1.40144962E-06 Bm  4.0000000E+00*     2.67900388E-02    -2.10184176E-01
     2.10097946E-02    -2.47875298E-02     7.44442666E-03    -9.80525815E-04
    -3.62104325E-04     6.96799473E-04    -1.99889969E-04 BP  4.0000000E+00*
     7.89458541E-03     4.19835472E-02     1.50660502E-02    -8.11696312E-03
     1.40116227E-01    -1.48233227E-02     7.35445014E-03     5.52336854E-02
    -6.52142526E-03    -8.06147028E-03     7.25443591E-02     1.12439851E-03
    -4.95176158E-02    -5.18006067E-03    -2.54417587E-02     2.18620413E-02
    -1.08035056E-03    -2.06563898E-02    -4.03295008E-02    -2.58192481E-04
     1.09895470E-02    -1.14381193E-02    -4.75735750E-03    -3.73633076E-03
    -6.69645154E-03    -3.59338172E-03    -2.53467662E-03     2.94816368E-03
     3.87354946E-03    -2.33681604E-03     7.33311896E-03    -5.50797053E-03
    -8.63417366E-04     5.60810758E-03     5.06522605E-03    -4.00073399E-03
     1.57581705E-03     2.71335159E-04     6.62179438E-03     1.45668841E-03
     7.79550315E-04    -1.11676235E-03    -5.73454405E-04     3.65334292E-04
     9.27316343E-02     1.64123678E-02     2.79558595E-02     8.72138362E-02
    -3.56770078E-03    -2.47569347E-01     1.33985230E-01     1.78368957E-02
    -1.20849608E-01     5.30483868E-02    -4.97809105E-02    -1.58821698E-01
     1.76384162E-01    -2.40969516E-02     6.16156658E-02     3.73161273E-03
    -2.42796123E-02     7.36025693E-04     5.27999981E-02    -4.11490176E-02
    -9.21371405E-02    -4.36925736E-02    -2.12288498E-03    -3.29156729E-02
     2.23120698E-02    -1.81293882E-03     4.00544153E-03     6.63322285E-03
     1.37568239E-02     5.98957029E-03    -1.35840485E-02     4.40264104E-02
     1.35631312E-02     8.05494887E-03     1.05181461E-01    -2.64926226E-03
     2.22530655E-02    -1.29193222E-03    -2.43662293E-02     7.60036098E-03
     2.55194021E-03    -9.41994295E-04    -2.35673260E-02    -8.96776311E-03
    -2.21482732E-03     6.04821952E-03    -5.55722486E-03    -8.09504122E-03
     6.65167319E-04    -2.04174370E-02     1.38758364E-01    -1.89343676E-02
    -2.31905062E-02    -9.20342247E-02     2.39070423E-02     3.86285261E-03
     7.97066472E-02    -4.05339935E-02    -2.21789660E-02    -2.60557441E-01
    -1.26156415E-02     8.47359165E-04    -5.35117249E-02     2.13723247E-02
     2.24134501E-02    -3.13719255E-02    -3.00531277E-02     1.63192610E-02
     5.81471356E-03    -3.77222435E-03     8.12576999E-03    -7.05815149E-03
     8.23670092E-02     1.09708473E-01     5.44996050E-03    -2.51046640E-02
     3.92055406E-03     2.68228866E-03     8.51241888E-03    -2.49654993E-03
    -2.39238117E-04    -1.10755141E-02    -4.35039570E-04    -1.16227879E-02
     3.46286497E-03    -1.15140485E-02     5.53860701E-03    -3.53866786E-02
    -5.23987781E-03     5.15015330E-03     2.25789253E-03     3.28264297E-04
     1.37055205E-03     2.45386517E-03     1.05167816E-02    -5.72715128E-03
    -5.36120814E-04    -8.09609273E-04     1.54102173E-03    -5.24365551E-03
    -3.02454138E-02     7.74837514E-02    -1.49975153E-02     1.53254847E-01
     2.27700238E-01    -6.94247967E-02    -2.58085500E-02     1.89703383E-02
    -1.89390959E-01    -3.29832914E-03     7.24040121E-02    -4.06697947E-02
    -1.12483569E-01    -1.75405084E-01    -1.48327384E-02    -3.74578886E-03
    -3.61876088E-02     2.54046966E-02     5.14032443E-02    -2.41813627E-03
    -1.49914693E-01    -7.92816048E-03     5.32938715E-02     9.97431241E-03
    -4.24218135E-02    -2.77992369E-03     2.00261639E-02     4.34278648E-02
    -4.63453504E-02     2.25410411E-02     3.03144960E-02     3.17385591E-02
    -7.40393072E-03     6.99894121E-04     5.74248513E-02    -7.40881844E-03
     9.38313130E-03    -3.17305628E-03     1.94327691E-02    -6.78912096E-03
     2.95690101E-03    -2.20639825E-02     2.71124642E-03    -2.95724156E-03
     4.09758809E-03    -7.07792988E-04    -1.12692475E-02     4.55853988E-03
    -3.16487870E-03 Ju  5.0000000E+00*     3.46701622E-03    -6.75194233E-05
     1.82509821E-04    -2.10755129E-04     4.41064352E-05     2.71509901E-05
    -1.51065665E-05     2.19894286E-06     6.40213673E-03    -9.24140065E-04
     1.07792087E-03    -4.50643536E-04     4.20377284E-05     3.75517015E-06
     4.17332546E-06    -7.90016309E-07 JX  4.0000000E+00*    -3.81613260E-02
    -1.63617072E-02     1.29194324E-02    -5.89083052E-03     1.35012887E-03
     2.45182819E-04    -3.86407033E-04     8.08442067E-05 Jf  4.0000000E+00*
    -3.42263813E-05     4.83485192E-05    -9.58762912E-05     6.06052185E-06
    -8.11840423E-05     3.83923418E-05     1.94850938E-05     5.62814749E-06
     2.47749757E-05    -1.10233044E-04     2.98604134E-05     3.36516173E-05
    -3.51960930E-05     1.58729063E-05    -6.80793550E-06     1.13227168E-05
     1.62341547E-05     3.51236906E-05     1.30050791E-05    -1.56522547E-05
    -1.19671695E-05     2.78117582E-06    -1.93663505E-06    -3.28278263E-06
    -2.94851293E-06    -2.35261443E-06    -1.76682704E-05     2.36011757E-04
    -2.03319612E-05    -1.98810523E-04    -9.91471285E-05     1.25002058E-04
    -4.56221401E-04     1.40288967E-05    -5.22617115E-05     8.39977365E-06
    -4.67742235E-05     1.06354973E-04    -4.92951671E-05    -5.57192281E-06
     6.77281064E-06     4.91617096E-06     7.61665641E-06    -4.24479405E-05
     4.55033677E-05     4.59233840E-06    -6.45089397E-06    -5.26205652E-06
     5.28255686E-06    -2.15120735E-06    -2.86059946E-06    -1.14766559E-06
    [*] : shallow parameters

                      Energy (a.u.) : -15.847004023374954
                       Error (a.u.) : 1.0614782585034194E-002
                    Variance (a.u.) : 0.22534721865509047

 Computing derivatives.
 Done. [total CPU time: 8s]

 Performing matrix algebra.
  Found 3 singularities inverting S (stage 1).
  Found 3 singularities inverting S (stage 2).
 Done. [total CPU time: 0s]

 Optimizing manipulation constant.
  Succeeded.
 Done. [total CPU time: 1s]

 Optimization monitor :
 ----------------------
 After iteration : 1
 Parameters:
 Be  5.77348018E+00    -4.50040577E-03     2.60636937E-03    -1.82985772E-03
     1.11565439E-03    -7.65813790E-05    -9.20784997E-05     7.37423011E-06
     5.55514072E-06    -1.18474493E-06     4.60063929E+00     5.86021919E-02
    -3.44077926E-02     2.42815500E-02    -1.00487105E-02     3.35105867E-03
    -3.06823569E-04    -5.34157063E-04     4.92451727E-06     3.23490635E-05
    -3.72437712E-06 Bm  3.98602841E+00     3.31629708E-02    -2.05562868E-01
     2.33766286E-02    -2.44040033E-02     7.97178182E-03    -7.74284398E-04
    -2.71844119E-04     7.45881919E-04    -2.02798365E-04 BP  4.02061353E+00
     7.89101307E-03     4.27073551E-02     1.29753494E-02    -7.41161307E-03
     1.39441128E-01    -1.52950773E-02     7.45387075E-03     5.48385077E-02
    -6.66800006E-03    -7.75378978E-03     8.57808164E-02     2.09899851E-03
    -4.54788175E-02    -4.44329504E-03    -1.85082802E-02     2.31793256E-02
    -1.46250493E-03    -2.06586970E-02    -3.85461324E-02    -4.74739811E-04
     1.04435066E-02    -1.11383429E-02    -4.69358679E-03    -3.62552540E-03
    -6.48065713E-03    -3.49415461E-03    -2.50639005E-03     2.77154061E-03
     3.64214460E-03    -1.75964392E-03     7.00008409E-03    -5.43948133E-03
    -8.10563199E-04     5.46384148E-03     4.91432456E-03    -3.83659409E-03
     2.36680972E-03     2.62487258E-04     6.40796490E-03     1.39563912E-03
     7.50111007E-04    -1.09437240E-03    -5.73531529E-04    -2.99182266E-03
     9.31486284E-02     1.83130429E-02     2.80658943E-02     8.54303621E-02
    -3.06198920E-03    -2.40594833E-01     1.31440325E-01     1.20204049E-02
    -1.20143655E-01     5.29244730E-02    -4.72480653E-02    -1.54282960E-01
     1.76397460E-01    -2.32478068E-02     5.83721506E-02     2.41890015E-03
    -2.75110108E-02    -1.36619773E-03     4.66972763E-02    -3.88720712E-02
    -9.22441878E-02    -4.27311474E-02    -9.14857860E-04    -3.17004014E-02
     2.24271444E-02    -1.53655290E-03     4.04768188E-03     6.59845931E-03
     1.35075707E-02     5.84837687E-03    -1.32353614E-02     4.26678438E-02
     1.30870303E-02     7.67257970E-03     1.03150264E-01    -2.66481289E-03
     2.10883966E-02    -8.11795092E-04    -2.32871218E-02     7.55518155E-03
     2.57049453E-03    -6.26152305E-04    -2.26772486E-02    -8.55766891E-03
    -2.10222712E-03     6.07141111E-03    -5.30543687E-03    -7.77075528E-03
     6.02061329E-04    -1.84756546E-02     1.41039770E-01    -1.92122847E-02
    -2.19566751E-02    -8.60671117E-02     2.32803729E-02     4.22461023E-03
     7.99033222E-02    -3.89632883E-02    -3.09539287E-02    -2.48212979E-01
    -1.14347985E-02     1.69924415E-03    -5.25906092E-02     2.04294349E-02
     2.65254252E-02    -3.04674659E-02    -2.90390112E-02     1.55053966E-02
     5.82783992E-03    -3.48841573E-03     7.71965188E-03    -9.08784656E-03
     8.16832753E-02     1.10816673E-01     6.78879930E-03    -2.46674586E-02
     3.58923301E-03     2.50742981E-03     7.08632494E-03    -2.40569713E-03
    -3.94821532E-04    -1.08474501E-02    -4.11127688E-04    -1.13030105E-02
     3.22406133E-03    -1.03041766E-02     5.79739124E-03    -3.39558106E-02
    -5.50736295E-03     4.94047758E-03     2.11212452E-03     2.97078491E-04
     6.05264405E-04     2.34545168E-03     1.00377063E-02    -5.56430977E-03
    -5.30696778E-04    -8.41407504E-04     1.42456667E-03    -1.76647453E-02
    -3.98473561E-02     7.58506877E-02    -1.39422664E-02     1.44631480E-01
     2.15993876E-01    -6.99651269E-02    -2.46091913E-02     2.03050538E-02
    -1.87486347E-01    -2.91220963E-03     7.12282918E-02    -4.16961996E-02
    -1.10067738E-01    -1.67201467E-01    -1.61942441E-02    -4.44932088E-03
    -3.48053197E-02     2.40056082E-02     4.36945854E-02    -3.31384744E-03
    -1.48401128E-01    -6.97817819E-03     5.34934221E-02     1.02213920E-02
    -4.07550204E-02    -2.46326121E-03     2.06715722E-02     4.24780345E-02
    -4.46451442E-02     2.20611818E-02     3.05704442E-02     3.10077553E-02
    -6.92393811E-03     8.47744803E-04     5.81383123E-02    -6.64921753E-03
     1.09554724E-02    -2.67981197E-03     1.90269381E-02    -6.44491718E-03
     2.94555499E-03    -2.13005506E-02     2.59007885E-03    -2.81733973E-03
     3.99993210E-03    -4.19010547E-04    -1.08653592E-02     4.38525500E-03
    -3.00509566E-03 Ju  5.00775220E+00     3.47864706E-03    -2.04044037E-05
     1.97111004E-04    -2.07646713E-04     4.47744681E-05     2.72751673E-05
    -1.51066071E-05     2.18071427E-06     6.45407956E-03    -1.12222959E-03
     1.04778050E-03    -4.54642886E-04     4.16796117E-05     3.85511863E-06
     4.25939332E-06    -7.50872824E-07 JX  3.99464292E+00    -3.80517142E-02
    -1.61932962E-02     1.28857013E-02    -5.96013201E-03     1.30660270E-03
     2.25956584E-04    -3.93821332E-04     7.78287857E-05 Jf  3.99145980E+00
    -3.40618654E-05     4.95890786E-05    -9.40043822E-05     6.47499451E-06
    -8.06571780E-05     3.87039863E-05     2.15807641E-05     4.06550843E-06
     3.12956612E-05    -1.09288735E-04     3.05525685E-05     3.49272513E-05
    -3.48527270E-05     1.60028239E-05    -6.53699789E-06     1.14098603E-05
     1.63498481E-05     3.66636832E-05     1.34176983E-05    -1.52505556E-05
    -1.16737177E-05     2.85318228E-06    -1.91331888E-06    -3.22544322E-06
    -2.92619319E-06    -2.31151994E-06    -1.80012902E-05     2.35583024E-04
    -2.04730571E-05    -1.96934452E-04    -9.88301190E-05     1.24967011E-04
    -4.57934149E-04     1.30511110E-05    -1.97972965E-05     9.50082699E-06
    -4.67227729E-05     1.06279095E-04    -4.89874430E-05    -5.53832496E-06
     6.87914700E-06     4.91881332E-06     7.58694873E-06    -4.01558186E-05
     4.54403173E-05     4.40468271E-06    -6.08566532E-06    -5.22708616E-06
     5.28908479E-06    -2.08524790E-06    -2.84922156E-06    -1.13767325E-06

                      Energy (a.u.) : -15.852318045950943
                       Error (a.u.) : 1.1198299460413402E-002
                    Variance (a.u.) : 0.25080382161019016

 Writing parameters to correlation.out.2.

 Computing derivatives.
 Done. [total CPU time: 8s]

 Performing matrix algebra.
  Found 3 singularities inverting S (stage 1).
  Found 3 singularities inverting S (stage 2).
 Done. [total CPU time: 0s]

 Optimizing manipulation constant.
  Failed.
 Done. [total CPU time: 1s]

 Optimization monitor :
 ----------------------
 After iteration : 2
 Parameters:
 Be  5.77348018E+00    -4.50040577E-03     2.60636937E-03    -1.82985772E-03
     1.11565439E-03    -7.65813790E-05    -9.20784997E-05     7.37423011E-06
     5.55514072E-06    -1.18474493E-06     4.60063929E+00     5.86021919E-02
    -3.44077926E-02     2.42815500E-02    -1.00487105E-02     3.35105867E-03
    -3.06823569E-04    -5.34157063E-04     4.92451727E-06     3.23490635E-05
    -3.72437712E-06 Bm  3.98602841E+00     3.31629708E-02    -2.05562868E-01
     2.33766286E-02    -2.44040033E-02     7.97178182E-03    -7.74284398E-04
    -2.71844119E-04     7.45881919E-04    -2.02798365E-04 BP  4.02061353E+00
     7.89101307E-03     4.27073551E-02     1.29753494E-02    -7.41161307E-03
     1.39441128E-01    -1.52950773E-02     7.45387075E-03     5.48385077E-02
    -6.66800006E-03    -7.75378978E-03     8.57808164E-02     2.09899851E-03
    -4.54788175E-02    -4.44329504E-03    -1.85082802E-02     2.31793256E-02
    -1.46250493E-03    -2.06586970E-02    -3.85461324E-02    -4.74739811E-04
     1.04435066E-02    -1.11383429E-02    -4.69358679E-03    -3.62552540E-03
    -6.48065713E-03    -3.49415461E-03    -2.50639005E-03     2.77154061E-03
     3.64214460E-03    -1.75964392E-03     7.00008409E-03    -5.43948133E-03
    -8.10563199E-04     5.46384148E-03     4.91432456E-03    -3.83659409E-03
     2.36680972E-03     2.62487258E-04     6.40796490E-03     1.39563912E-03
     7.50111007E-04    -1.09437240E-03    -5.73531529E-04    -2.99182266E-03
     9.31486284E-02     1.83130429E-02     2.80658943E-02     8.54303621E-02
    -3.06198920E-03    -2.40594833E-01     1.31440325E-01     1.20204049E-02
    -1.20143655E-01     5.29244730E-02    -4.72480653E-02    -1.54282960E-01
     1.76397460E-01    -2.32478068E-02     5.83721506E-02     2.41890015E-03
    -2.75110108E-02    -1.36619773E-03     4.66972763E-02    -3.88720712E-02
    -9.22441878E-02    -4.27311474E-02    -9.14857860E-04    -3.17004014E-02
     2.24271444E-02    -1.53655290E-03     4.04768188E-03     6.59845931E-03
     1.35075707E-02     5.84837687E-03    -1.32353614E-02     4.26678438E-02
     1.30870303E-02     7.67257970E-03     1.03150264E-01    -2.66481289E-03
     2.10883966E-02    -8.11795092E-04    -2.32871218E-02     7.55518155E-03
     2.57049453E-03    -6.26152305E-04    -2.26772486E-02    -8.55766891E-03
    -2.10222712E-03     6.07141111E-03    -5.30543687E-03    -7.77075528E-03
     6.02061329E-04    -1.84756546E-02     1.41039770E-01    -1.92122847E-02
    -2.19566751E-02    -8.60671117E-02     2.32803729E-02     4.22461023E-03
     7.99033222E-02    -3.89632883E-02    -3.09539287E-02    -2.48212979E-01
    -1.14347985E-02     1.69924415E-03    -5.25906092E-02     2.04294349E-02
     2.65254252E-02    -3.04674659E-02    -2.90390112E-02     1.55053966E-02
     5.82783992E-03    -3.48841573E-03     7.71965188E-03    -9.08784656E-03
     8.16832753E-02     1.10816673E-01     6.78879930E-03    -2.46674586E-02
     3.58923301E-03     2.50742981E-03     7.08632494E-03    -2.40569713E-03
    -3.94821532E-04    -1.08474501E-02    -4.11127688E-04    -1.13030105E-02
     3.22406133E-03    -1.03041766E-02     5.79739124E-03    -3.39558106E-02
    -5.50736295E-03     4.94047758E-03     2.11212452E-03     2.97078491E-04
     6.05264405E-04     2.34545168E-03     1.00377063E-02    -5.56430977E-03
    -5.30696778E-04    -8.41407504E-04     1.42456667E-03    -1.76647453E-02
    -3.98473561E-02     7.58506877E-02    -1.39422664E-02     1.44631480E-01
     2.15993876E-01    -6.99651269E-02    -2.46091913E-02     2.03050538E-02
    -1.87486347E-01    -2.91220963E-03     7.12282918E-02    -4.16961996E-02
    -1.10067738E-01    -1.67201467E-01    -1.61942441E-02    -4.44932088E-03
    -3.48053197E-02     2.40056082E-02     4.36945854E-02    -3.31384744E-03
    -1.48401128E-01    -6.97817819E-03     5.34934221E-02     1.02213920E-02
    -4.07550204E-02    -2.46326121E-03     2.06715722E-02     4.24780345E-02
    -4.46451442E-02     2.20611818E-02     3.05704442E-02     3.10077553E-02
    -6.92393811E-03     8.47744803E-04     5.81383123E-02    -6.64921753E-03
     1.09554724E-02    -2.67981197E-03     1.90269381E-02    -6.44491718E-03
     2.94555499E-03    -2.13005506E-02     2.59007885E-03    -2.81733973E-03
     3.99993210E-03    -4.19010547E-04    -1.08653592E-02     4.38525500E-03
    -3.00509566E-03 Ju  5.00775220E+00     3.47864706E-03    -2.04044037E-05
     1.97111004E-04    -2.07646713E-04     4.47744681E-05     2.72751673E-05
    -1.51066071E-05     2.18071427E-06     6.45407956E-03    -1.12222959E-03
     1.04778050E-03    -4.54642886E-04     4.16796117E-05     3.85511863E-06
     4.25939332E-06    -7.50872824E-07 JX  3.99464292E+00    -3.80517142E-02
    -1.61932962E-02     1.28857013E-02    -5.96013201E-03     1.30660270E-03
     2.25956584E-04    -3.93821332E-04     7.78287857E-05 Jf  3.99145980E+00
    -3.40618654E-05     4.95890786E-05    -9.40043822E-05     6.47499451E-06
    -8.06571780E-05     3.87039863E-05     2.15807641E-05     4.06550843E-06
     3.12956612E-05    -1.09288735E-04     3.05525685E-05     3.49272513E-05
    -3.48527270E-05     1.60028239E-05    -6.53699789E-06     1.14098603E-05
     1.63498481E-05     3.66636832E-05     1.34176983E-05    -1.52505556E-05
    -1.16737177E-05     2.85318228E-06    -1.91331888E-06    -3.22544322E-06
    -2.92619319E-06    -2.31151994E-06    -1.80012902E-05     2.35583024E-04
    -2.04730571E-05    -1.96934452E-04    -9.88301190E-05     1.24967011E-04
    -4.57934149E-04     1.30511110E-05    -1.97972965E-05     9.50082699E-06
    -4.67227729E-05     1.06279095E-04    -4.89874430E-05    -5.53832496E-06
     6.87914700E-06     4.91881332E-06     7.58694873E-06    -4.01558186E-05
     4.54403173E-05     4.40468271E-06    -6.08566532E-06    -5.22708616E-06
     5.28908479E-06    -2.08524790E-06    -2.84922156E-06    -1.13767325E-06

                      Energy (a.u.) : -15.852318045950943
                       Error (a.u.) : 1.1198299460413402E-002
                    Variance (a.u.) : 0.25080382161019016

 Writing parameters to correlation.out.2.

 Criterion for convergence satisfied.


 *     *     *     *     *     *     *     *     *     *     *     *

 ====================================
 PERFORMING POST-FIT VMC CALCULATION.
 ====================================


 BEGIN VMC CALCULATION
 =====================

 Random number generator reset to state in config.in.

 Running VMC equilibration (5000 moves).
  Performing time-step optimization.
  Optimized DTVMC:  2.0244E-02
 Done. [total CPU time: 0s]

 Kinetic energy check performed.
  Slater determinants - gradient: optimal, Laplacian: optimal.
  Jastrow factor - gradient: optimal, Laplacian: optimal.
 End of report.

 Starting VMC.

 =========================================================================
 In block : 1

 Acceptance ratio <level 1>        (%)  =  56.7833
 Acceptance ratio <levels 1-2>     (%)  =  52.0833
 Diffusion constant           (Bohr^2)  = 3.0612E-02
 Correlation time              (steps)  = 2.7821E+00 +- 3.9366E-01
 Efficiency               (au^-2 s^-1)  = 7.1093E+03
 No. of VMC steps per MPI process       = 500

  Block average energies (au)

  Total energy                       (au) =         -15.867824684548
  Standard error                        +/-           0.012486010187

  Kinetic energy KEI (used in Total) (au) =          10.610730953211
  Standard error                        +/-           0.142587043254

  Kinetic energy TI                  (au) =          10.881992082758
  Standard error                        +/-           0.182558632598

  Kinetic energy FISQ                (au) =          11.153253212305
  Standard error                        +/-           0.308118984357

  Potential energy                   (au) =         -26.478555637759
  Standard error                        +/-           0.143905625747

  e-e interaction                    (au) =           9.678878372333
  Standard error                        +/-           0.042382632847

  e-i interaction (local)            (au) =         -36.482688056094
  Standard error                        +/-           0.141811502136

  e-i interaction (non-local)        (au) =           0.325254046001
  Standard error                        +/-           0.097839260451

  Variance of local energy           (au) =           0.337056363214
  Standard error                        +/-           0.040664952633

  Maximum distance from origin       (au) =           4.946848166722

  Particles within backflow range   (%) :  99.7990


 Time taken in block    : : :        0.3000 s

 =========================================================================
 FINAL RESULT:

  VMC energy (au)    Standard error      Correction for serial correlation

 -15.867824684548 +/- 0.012486010187      No correction
 -15.867824684548 +/- 0.020826318864      Correlation time method
 -15.867824684548 +/- 0.028284247258      On-the-fly reblocking method

 Bad reblock convergence - probably not enough data samples.

 Dumping reblock data for energy:
      mean:    -15.867824684548 +/-       0.028284247258
    stderr:      0.028284247258 +/-       0.005229759168
    errfac:      2.265275042556 +/-       0.418849503537
    N_corr:      5.131471018428 +/-       1.897618653898
   ------------------------------------------------------
    Block len      Std error   Err in error
            1   1.248601E-02   3.952377E-04
            2   1.433723E-02   6.424668E-04
            4   1.741207E-02   1.105667E-03
            8   1.909579E-02   1.721809E-03
           16   2.242028E-02   2.882460E-03
           32   2.828425E-02   5.229759E-03  *** BEST ***
           64   2.722764E-02   7.376355E-03
          128   1.946726E-02   8.074643E-03
   ------------------------------------------------------

  Sample variance of E_L (au^2/sim.cell) : 0.337056363214

 =========================================================================


 Total CASINO CPU time  : : :      120.3900 s
 Total CASINO real time : : :      126.2810 s


 Subroutine timers deactivated (use TIMING_INFO input keyword)

 =========================================================================
 Ends 2026/08/25 14:13:32.942

Job finished: Вт 25 авг 2026 14:13:33 +07
