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 13:39:49 +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

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 Started 2026/08/25 13:39:50.028

 Running in parallel using 4 MPI processes.

 General input parameters
 ========================
 NEU (num up spin electrons)              :  1
 NED (num down spin electrons)            :  0
 RUNTYPE (type of run)                    :  vmc_dmc
 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)      :  F
 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/DMC 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)                :  512
 VMC_NCONFIG_WRITE (num configs to write) :  512
 VMC_NBLOCK (num VMC blocks)              :  1
 VMC_EQUIL_NSTEP (num equil steps)        :  5000
 VMC_DECORR_PERIOD (length of inner loop) :  1
 VMC_AVE_PERIOD (hist reduction factor)   :  1
 VMC_SAMPLING                             :  standard
 DMC_TARGET_WEIGHT                        :  512.00
 DMC_MD                                   :  F
 DMC_EQUIL_NSTEP (num equil steps)        :  2000
 DMC_EQUIL_NBLOCK (num blocks)            :  1
 DMC_STATS_NSTEP (num stats steps)        :  10000
 DMC_STATS_NBLOCK (num blocks)            :  5
 DMC_DECORR_PERIOD (length of inner loop) :  1
 DMC_AVE_PERIOD (hist reduction factor)   :  1
 DMC_TRIP_WEIGHT (catastrophe thres)      :  0.00
 EBEST_AV_WINDOW (running av for energy)  :  25
 DMC_METHOD (choice of DMC algorithm)     :  2
 DMC_REWEIGHT_CONF (Update weights)       :  F
 DMC_SPACEWARPING (adjust e to new wfn)   :  F
 REDIST_GRP_SIZE (size of redist groups)  :  500
 DTDMC (DMC time step)                    :  3.33330E-01
 TPDMC (DMC T_p parameter)                :  0
 CEREFDMC (constant for EREF [DMC])       :  1.000
 LIMDMC (limit type for drift vel/energy) :  4 [ZSGMA, PRB 93 241118(R) (2016)]
 NUCLEUS_GF_MODS (DMC GF mods for nuclei) :  T
 ALIMIT                                   :  0.500
 ALPHALIMIT                               :  0.200
 DMC_DTEFF_METHOD (eff time step method)  :  1 [Weighted average of diff^2]
 DMC_EREF_METHOD (reference-energy method):  1 [Std reference-energy method]
 IACCUM (flag for statistics run [DMC])   :  T
 IBRAN (flag to enable branching [DMC])   :  T
 LWDMC (flag for enabling weighted DMC)   :  F
 LWDMC_FIXPOP (fixed population LWDMC)    :  F
 DMC_NORM_CONSERVE                        :  F
 DMC_POPRENORM (renormalize config popn)  :  F
 GROWTH_ESTIMATOR (calc growth estimator) :  F
 USE_TMOVE                                :  T
 FUTURE_WALKING                           :  F
 SMALL_TRANSFER (redist. transf. size)    :  F
 ORBBUF (orbital buffering)               :  T
 JASBUF (Jastrow buffering)               :  T
 MAKEMOVIE                                :  F
 FORCES                                   :  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 : 1

 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.

 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                 :  1

 Basis set information

 Number of atoms                           :  1
 Number of shells                          :  14
 Number of basis fns                       :  46
 Number of primitives                      :  21
 Highest ang momentum                      :  4

 Gaussian basis sets:
 ------------------------------------------------------------------
   Atom  x(au)  y(au)  z(au)    No. Type  Exponent    Coefficients
 ------------------------------------------------------------------
   1 H     0.000    0.000    0.000
                             1-   1  s
                                         4.020E+02     1.408E-03
                                         6.024E+01    -9.200E-03
                                         1.373E+01     6.703E-02
                                         3.905E+00     8.658E-02
                                         1.283E+00     1.232E-01
                                         4.655E-01     1.325E-01
                                         1.811E-01     8.647E-02
                                         7.279E-02     1.759E-02
                             2-   2  s
                                         6.685E-01     5.269E-01
                             3-   3  s
                                         2.352E-01     2.407E-01
                             4-   4  s
                                         8.280E-02     1.100E-01
                             5-   7  p
                                         2.526E+00     4.539E+00
                             8-  10  p
                                         8.498E-01     1.163E+00
                            11-  13  p
                                         2.859E-01     2.980E-01
                            14-  18  d
                                         2.026E+00     5.665E+00
                            19-  23  d
                                         6.639E-01     8.037E-01
                            24-  30  f
                                         1.450E+00     3.399E+00
                            31-  31  s
                                         2.280E-02     4.182E-02
                            32-  34  p
                                         8.200E-02     6.255E-02
                            35-  39  d
                                         1.861E-01     8.679E-02
                            40-  46  f
                                         3.614E-01     1.491E-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 1, file=h_pp.data
 Title:  HF Pseudopotential in real space for H

 Number of grid points                   :  1405
 Pseudo-charge                           :  1.0
 Local cutoff radius (au)                :  0.495002
 Non-local cutoff radius (au)            :  0.495002
 Local potential angular momentum        :  2
 Deviation from z/r at cutoff radius     :  -.1021405183E-13
 Non-local potential angular momentum    :  0
 Deviation from vlocal at cutoff radius  :  0.1845954500E-09
 Non-local potential angular momentum    :  1
 Deviation from vlocal at cutoff radius  :  0.0000000000E+00

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

 Simulation cell : Finite (atomic/molecular geometry)

 Atom Atno  Type              Position (Cartesian au)
 -------------------------------------------------------------
    1   1   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) :  7.999999999999997E+00
   alpha_0,1                (fixed) :  0.000000000000000E+00
   alpha_2,1                (fixed) :  0.000000000000000E+00
   alpha_3,1                (fixed) :  0.000000000000000E+00
   alpha_4,1                (fixed) :  0.000000000000000E+00
   alpha_5,1                (fixed) :  0.000000000000000E+00
   alpha_6,1                (fixed) :  0.000000000000000E+00
   alpha_7,1                (fixed) :  0.000000000000000E+00
   alpha_8,1                (fixed) :  0.000000000000000E+00
   alpha_0,2                (fixed) :  0.000000000000000E+00
   alpha_2,2                (fixed) :  0.000000000000000E+00
   alpha_3,2                (fixed) :  0.000000000000000E+00
   alpha_4,2                (fixed) :  0.000000000000000E+00
   alpha_5,2                (fixed) :  0.000000000000000E+00
   alpha_6,2                (fixed) :  0.000000000000000E+00
   alpha_7,2                (fixed) :  0.000000000000000E+00
   alpha_8,2                (fixed) :  0.000000000000000E+00
   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) :  6.997229662462710E+00
   beta_0,1,1         (optimizable) : -5.325085887319382E-05
   beta_2,1,1         (optimizable) :  2.061934233692653E-05
   beta_3,1,1         (optimizable) : -7.879092895545445E-05
   beta_4,1,1         (optimizable) :  9.620252645033759E-05
   beta_5,1,1         (optimizable) : -6.108426995932208E-05
   beta_6,1,1         (optimizable) :  2.000167945477655E-05
   beta_7,1,1         (optimizable) : -3.215016699195746E-06
   beta_8,1,1         (optimizable) :  1.945742504893813E-07
   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) :  6.999999999999997E+00
   gamma_1,1,0,1,1          (fixed) :  0.000000000000000E+00
   gamma_2,1,0,1,1          (fixed) :  0.000000000000000E+00
   gamma_3,1,0,1,1          (fixed) :  0.000000000000000E+00
   gamma_2,2,0,1,1          (fixed) :  0.000000000000000E+00
   gamma_3,2,0,1,1          (fixed) :  0.000000000000000E+00
   gamma_3,3,0,1,1          (fixed) :  0.000000000000000E+00
   gamma_1,1,1,1,1          (fixed) :  0.000000000000000E+00
   gamma_2,2,1,1,1          (fixed) :  0.000000000000000E+00
   gamma_0,0,2,1,1          (fixed) :  0.000000000000000E+00
   gamma_1,0,2,1,1          (fixed) :  0.000000000000000E+00
   gamma_2,0,2,1,1          (fixed) :  0.000000000000000E+00
   gamma_1,1,2,1,1          (fixed) :  0.000000000000000E+00
   gamma_2,1,2,1,1          (fixed) :  0.000000000000000E+00
   gamma_3,1,2,1,1          (fixed) :  0.000000000000000E+00
   gamma_2,2,2,1,1          (fixed) :  0.000000000000000E+00
   gamma_3,2,2,1,1          (fixed) :  0.000000000000000E+00
   gamma_3,3,2,1,1          (fixed) :  0.000000000000000E+00
   gamma_0,0,3,1,1          (fixed) :  0.000000000000000E+00
   gamma_1,0,3,1,1          (fixed) :  0.000000000000000E+00
   gamma_2,0,3,1,1          (fixed) :  0.000000000000000E+00
   gamma_1,1,3,1,1          (fixed) :  0.000000000000000E+00
   gamma_2,1,3,1,1          (fixed) :  0.000000000000000E+00
   gamma_3,1,3,1,1          (fixed) :  0.000000000000000E+00
   gamma_2,2,3,1,1          (fixed) :  0.000000000000000E+00
   gamma_3,2,3,1,1          (fixed) :  0.000000000000000E+00
   gamma_3,3,3,1,1          (fixed) :  0.000000000000000E+00
   gamma_1,1,0,2,1          (fixed) :  0.000000000000000E+00
   gamma_2,1,0,2,1          (fixed) :  0.000000000000000E+00
   gamma_3,1,0,2,1          (fixed) :  0.000000000000000E+00
   gamma_2,2,0,2,1          (fixed) :  0.000000000000000E+00
   gamma_3,2,0,2,1          (fixed) :  0.000000000000000E+00
   gamma_3,3,0,2,1          (fixed) :  0.000000000000000E+00
   gamma_1,1,1,2,1          (fixed) :  0.000000000000000E+00
   gamma_2,2,1,2,1          (fixed) :  0.000000000000000E+00
   gamma_0,0,2,2,1          (fixed) :  0.000000000000000E+00
   gamma_1,0,2,2,1          (fixed) :  0.000000000000000E+00
   gamma_2,0,2,2,1          (fixed) :  0.000000000000000E+00
   gamma_1,1,2,2,1          (fixed) :  0.000000000000000E+00
   gamma_2,1,2,2,1          (fixed) :  0.000000000000000E+00
   gamma_3,1,2,2,1          (fixed) :  0.000000000000000E+00
   gamma_2,2,2,2,1          (fixed) :  0.000000000000000E+00
   gamma_3,2,2,2,1          (fixed) :  0.000000000000000E+00
   gamma_3,3,2,2,1          (fixed) :  0.000000000000000E+00
   gamma_0,0,3,2,1          (fixed) :  0.000000000000000E+00
   gamma_1,0,3,2,1          (fixed) :  0.000000000000000E+00
   gamma_2,0,3,2,1          (fixed) :  0.000000000000000E+00
   gamma_1,1,3,2,1          (fixed) :  0.000000000000000E+00
   gamma_2,1,3,2,1          (fixed) :  0.000000000000000E+00
   gamma_3,1,3,2,1          (fixed) :  0.000000000000000E+00
   gamma_2,2,3,2,1          (fixed) :  0.000000000000000E+00
   gamma_3,2,3,2,1          (fixed) :  0.000000000000000E+00
   gamma_3,3,3,2,1          (fixed) :  0.000000000000000E+00
   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.

 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

 ======================================================
 PERFORMING A VMC CONFIGURATION-GENERATION CALCULATION.
 ======================================================


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

 Running VMC equilibration (5000 moves).
  Performing time-step optimization.
  Optimized DTVMC:  6.2524E-01
 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>        (%)  =  46.8750
 Acceptance ratio <levels 1-2>     (%)  =  46.8750
 Diffusion constant           (Bohr^2)  = 6.5072E-01
 Correlation time              (steps)  = 4.6817E+00 +- 2.0356E+00
 Efficiency               (au^-2 s^-1)  = Infinity
 No. of VMC steps per MPI process       = 128

  Block average energies (au)

  Total energy                       (au) =          -0.493763246376
  Standard error                        +/-           0.001537302855

  Kinetic energy KEI (used in Total) (au) =           0.456719525244
  Standard error                        +/-           0.037513867851

  Kinetic energy TI                  (au) =           0.478420385838
  Standard error                        +/-           0.018610680500

  Kinetic energy FISQ                (au) =           0.500121246431
  Standard error                        +/-           0.000766658484

  Potential energy                   (au) =          -0.950482771620
  Standard error                        +/-           0.036975853604

  e-e interaction                    (au) =           0.000000000000

  e-i interaction (local)            (au) =          -0.945505039477
  Standard error                        +/-           0.032956761003

  e-i interaction (non-local)        (au) =          -0.004977732143
  Standard error                        +/-           0.007553787894

  Variance of local energy           (au) =           0.001641708242
  Standard error                        +/-           0.000222635930

  Maximum distance from origin       (au) =           4.090242040065


 Time taken in block    : : :        0.0000 s

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

  VMC energy (au)    Standard error      Correction for serial correlation

 -0.493763246376 +/- 0.001537302855      No correction
 -0.493763246376 +/- 0.003326294974      Correlation time method
 -0.493763246376 +/- 0.002945258138      On-the-fly reblocking method

 Bad reblock convergence - probably not enough data samples.

 Dumping reblock data for energy:
      mean:     -0.493763246376 +/-       0.002945258138
    stderr:      0.002945258138 +/-       0.000787153348
    errfac:      1.915860709567 +/-       0.512035312570
    N_corr:      3.670522258464 +/-       1.961976674529
   ------------------------------------------------------
    Block len      Std error   Err in error
            1   1.537303E-03   9.645896E-05
            2   2.062840E-03   1.837724E-04
            4   2.578796E-03   3.275074E-04
            8   3.011636E-03   5.498469E-04
           16   2.945258E-03   7.871533E-04  *** BEST ***
           32   1.301982E-03   5.315320E-04
           64   5.446326E-04   3.851134E-04
   ------------------------------------------------------

  Sample variance of E_L (au^2/sim.cell) : 0.001641708242

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


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

 ===========================================
 PERFORMING A DMC EQUILIBRATION CALCULATION.
 ===========================================


 BEGIN DMC CALCULATION
 =====================

 Random number generator reset to state in config.in.

 EBEST = -0.49376324637593838 (au/prim cell inc. N-N)
 EREF  = -0.49376324637593838

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

 Number of moves in block                 : 2000
 Load-balancing efficiency (%)            : 99.708
 Number of config transfers               : 953
 Acceptance ratio (%)                     : 90.154
 New best estimate of DMC energy (au)     : -0.50087940
 Max no of attempts before accept move    : 11
 Maximum distance from origin (au)        : 8.69493837

 Time taken in block    : : :        3.3600 s


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

 =====================================================
 PERFORMING A DMC STATISTICS-ACCUMULATION CALCULATION.
 =====================================================


 BEGIN DMC CALCULATION
 =====================

 Random number generator reset to state in config.in.

 EBEST = -0.50087940256094188 (au/prim cell inc. N-N)
 EREF  = -0.50183296458270188

 Number of previous DMC stats accumulation moves : 0

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

 Number of moves in block                 : 2000
 Load-balancing efficiency (%)            : 99.708
 Number of config transfers               : 959
 Acceptance ratio (%)                     : 90.082
 New best estimate of DMC energy (au)     : -0.50041514
 Max no of attempts before accept move    : 9
 New best estimate of effective time step : 0.30052449
 Maximum distance from origin (au)        : 9.23837560

 Time taken in block    : : :        4.3200 s

 =========================================================================
 In block : 2

 Number of moves in block                 : 2000
 Load-balancing efficiency (%)            : 99.707
 Number of config transfers               : 956
 Acceptance ratio (%)                     : 90.176
 New best estimate of DMC energy (au)     : -0.50037100
 Max no of attempts before accept move    : 9
 New best estimate of effective time step : 0.30054444
 Maximum distance from origin (au)        : 8.97740102

 Time taken in block    : : :        4.2500 s

 =========================================================================
 In block : 3

 Number of moves in block                 : 2000
 Load-balancing efficiency (%)            : 99.717
 Number of config transfers               : 976
 Acceptance ratio (%)                     : 90.200
 New best estimate of DMC energy (au)     : -0.50035515
 Max no of attempts before accept move    : 12
 New best estimate of effective time step : 0.30057195
 Maximum distance from origin (au)        : 10.16015749

 Time taken in block    : : :        4.1300 s

 =========================================================================
 In block : 4

 Number of moves in block                 : 2000
 Load-balancing efficiency (%)            : 99.707
 Number of config transfers               : 921
 Acceptance ratio (%)                     : 90.298
 New best estimate of DMC energy (au)     : -0.50030738
 Max no of attempts before accept move    : 11
 New best estimate of effective time step : 0.30059128
 Maximum distance from origin (au)        : 8.21091079

 Time taken in block    : : :        3.8400 s

 =========================================================================
 In block : 5

 Number of moves in block                 : 2000
 Load-balancing efficiency (%)            : 99.703
 Number of config transfers               : 930
 Acceptance ratio (%)                     : 90.140
 New best estimate of DMC energy (au)     : -0.50029883
 Max no of attempts before accept move    : 9
 New best estimate of effective time step : 0.30058169
 Maximum distance from origin (au)        : 8.17774198

 Time taken in block    : : :        3.2100 s


 Mixed estimators of the energies at the end of the run
 ------------------------------------------------------
 [All energies given in (au)]
 [All error bars obtained by reblocking]

 Total energy                 =       -0.500298826088 +/-        0.000027142423
 Kinetic energy (TI)          =        0.498602189331 +/-        0.000459059658
 Kinetic energy (KEI)         =        0.498811042015 +/-        0.000925000466
 Kinetic energy (FISQ)        =        0.498393336647 +/-        0.000020567110
 e-e interac. (Ewald/Coulomb) =        0.000000000000 +/-        0.000000000000
 e-i interaction (local)      =       -0.974906754776 +/-        0.000831877214
 e-i interaction (nonlocal)   =       -0.024203113327 +/-        0.000166560001

 Dump of raw reblock data
 ------------------------
 Number of data points collected = 10000
 Dumping reblock data for energy:
      mean:     -0.500298826088 +/-       0.000027142423
    stderr:      0.000027142423 +/-       0.000001540344
    errfac:      1.751809897526 +/-       0.099415974394
    N_corr:      3.068837917070 +/-       0.348315775833
   ------------------------------------------------------
    Block len      Std error   Err in error
            1   1.549393E-05   1.095641E-07
            2   1.844376E-05   1.844561E-07
            4   2.118783E-05   2.997010E-07
            8   2.354856E-05   4.711598E-07
           16   2.486019E-05   7.037154E-07
           32   2.563490E-05   1.027041E-06
           64   2.714242E-05   1.540344E-06  *** BEST ***
          128   2.901467E-05   2.336174E-06
          256   3.323409E-05   3.809081E-06
          512   3.232050E-05   5.308976E-06
         1024   3.461080E-05   8.266186E-06
         2048   4.014073E-05   1.440446E-05
         4096   5.116158E-05   3.013254E-05
   ------------------------------------------------------

 Analysis of statistical efficiency -- see PRB 81, 035119 (2010).
 ------------------------------------------------------------------
 Int corr length (steps)      =        3.068837917070 +/-        0.348315775833
 DMC time step (au)           =        0.333330000000
 Int correlation time (au)    =        1.022935742897 +/-        0.116104097558
 Var of loc en (au / simcell) =        0.001215028972 +/-        0.000001322037
 Std dev of local energy      =        0.034857265700
 Number of steps of accum data=    10000.000000000000
 Effective number of steps    =     9999.890374540624
 Target weight                =      512.000000000000
 Average population           =      511.893500000000 +/-        0.021020841444
 Effective population         =      518.435700290031
 Stat inefficiency (est)      =        1.014326638868 +/-        0.001645528693
 Stat inefficiency (measured) =        0.987391708231

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

 Total CASINO CPU time  : : :       23.1600 s
 Total CASINO real time : : :       23.4800 s


 Subroutine timers deactivated (use TIMING_INFO input keyword)

 =========================================================================
 Ends 2026/08/25 13:40:13.508

Job finished: Вт 25 авг 2026 13:40:13 +07
