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 13:38:06 +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 13:38:06.502

 Running in parallel using 4 MPI processes.

 General input parameters
 ========================
 NEU (num up spin electrons)              :  5
 NED (num down spin electrons)            :  5
 RUNTYPE (type of run)                    :  vmc_dmc
 PSI_S  (form for [anti]symmetrizing wfn) :  geminal
 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
 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)     :  1
 DTVMC (VMC time step)                    :  1.0000E-01
 OPT_DTVMC (VMC time-step optimization)   :  1
 VMC_NSTEP (num VMC steps)                :  256
 VMC_NCONFIG_WRITE (num configs to write) :  256
 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                        :  256.00
 DMC_MD                                   :  F
 DMC_EQUIL_NSTEP (num equil steps)        :  500
 DMC_EQUIL_NBLOCK (num blocks)            :  1
 DMC_STATS_NSTEP (num stats steps)        :  2000
 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)                    :  3.33300E-03
 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                                :  F
 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.

 Reading parameters.casl
 =======================
 Contents of parameters.casl:
  * GEMINAL

 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: 4.0.5
 Method                                    :
 DFT functional                            :
 Periodicity                               :  0 (molecule)
 Spin restricted?                          :  Yes

 Total number of electrons                 :  10

 Basis set information

 Number of atoms                           :  1
 Number of shells                          :  15
 Number of basis fns                       :  55
 Number of primitives                      :  33
 Highest ang momentum                      :  5

 Gaussian basis sets:
 ------------------------------------------------------------------
   Atom  x(au)  y(au)  z(au)    No. Type  Exponent    Coefficients
 ------------------------------------------------------------------
   1 Ne    0.000    0.000    0.000
                             1-   1  s
                                         9.992E+04     3.476E-01
                                         1.496E+04     6.508E-01
                                         3.399E+03     1.126E+00
                                         9.589E+02     1.817E+00
                                         3.112E+02     2.715E+00
                                         1.117E+02     3.552E+00
                                         4.332E+01     3.698E+00
                                         1.780E+01     2.493E+00
                                         7.503E+00     7.128E-01
                             2-   2  s
                                         9.992E+04    -2.195E-01
                                         1.496E+04    -4.173E-01
                                         3.399E+03    -7.163E-01
                                         9.589E+02    -1.178E+00
                                         3.112E+02    -1.770E+00
                                         1.117E+02    -2.484E+00
                                         4.332E+01    -2.839E+00
                                         1.780E+01    -2.680E+00
                                         7.503E+00    -1.012E+00
                             3-   3  s
                                         2.337E+00     1.347E+00
                             4-   4  s
                                         9.001E-01     6.586E-01
                             5-   5  s
                                         3.301E-01     3.104E-01
                             6-   8  p
                                         9.968E+01     1.413E+01
                                         2.315E+01     1.595E+01
                                         7.108E+00     1.375E+01
                             9-  11  p
                                         2.441E+00     4.349E+00
                            12-  14  p
                                         8.339E-01     1.136E+00
                            15-  17  p
                                         2.662E-01     2.726E-01
                            18-  22  d
                                         6.471E+00     4.321E+01
                            23-  27  d
                                         2.213E+00     6.609E+00
                            28-  32  d
                                         7.470E-01     9.879E-01
                            33-  39  f
                                         4.657E+00     4.690E+01
                            40-  46  f
                                         1.524E+00     3.799E+00
                            47-  55  g
                                         2.983E+00     2.248E+01
 ------------------------------------------------------------------
 Single determinant :

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

 Pseudopotentials
 ================
 No pseudopotential for Ne - treating as all-electron.

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

 Simulation cell : Finite (atomic/molecular geometry)

 Atom Atno  Type              Position (Cartesian au)
 -------------------------------------------------------------
    1  10   1         0.00000000     0.00000000     0.00000000


 Neighbour analysis of single atom not required.

 Gaussian cusp correction
 ========================
 Activated.

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

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

 Geminal setup
 =============
 Using a pool of 55 orbitals.
 Percentage of non-zero geminal matrix elements: 0%
 The geminal matrices will be represented by sparse matrices.

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

 Title: Ne 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) :  4.128949215952503E+00
   alpha_0,1          (optimizable) :  3.317113776324371E-03
   alpha_2,1          (optimizable) :  2.546782007546080E-03
   alpha_3,1          (optimizable) : -4.073355489600029E-03
   alpha_4,1          (optimizable) :  3.369848465344882E-03
   alpha_5,1          (optimizable) : -1.121371018325578E-03
   alpha_6,1          (optimizable) :  6.605711454100947E-05
   alpha_7,1          (optimizable) :  2.783539604276086E-05
   alpha_8,1          (optimizable) : -1.747945821978852E-06
   alpha_0,2          (optimizable) :  6.019490860082990E-03
   alpha_2,2          (optimizable) :  3.315474053707646E-03
   alpha_3,2          (optimizable) : -1.015956670912559E-02
   alpha_4,2          (optimizable) :  1.453919777833909E-02
   alpha_5,2          (optimizable) : -1.078105265018166E-02
   alpha_6,2          (optimizable) :  4.374717369478962E-03
   alpha_7,2          (optimizable) : -9.141080123921399E-04
   alpha_8,2          (optimizable) :  7.816080191178083E-05
   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) :  3.107604485592786E+00
   beta_0,1,1         (optimizable) : -1.269355732129398E-01
   beta_2,1,1         (optimizable) : -2.108158493136706E-02
   beta_3,1,1         (optimizable) : -5.029104873320123E-02
   beta_4,1,1         (optimizable) :  8.937377754504049E-02
   beta_5,1,1         (optimizable) : -9.313838353843865E-02
   beta_6,1,1         (optimizable) :  4.214869010947615E-02
   beta_7,1,1         (optimizable) : -6.824752231959851E-03
   beta_8,1,1         (optimizable) : -4.176038566520408E-05
   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) :  2.994222733451163E+00
   gamma_1,1,0,1,1    (optimizable) : -3.612365499687766E-04
   gamma_2,1,0,1,1    (optimizable) : -9.221882356917113E-04
   gamma_3,1,0,1,1    (optimizable) : -1.967001626345963E-03
   gamma_2,2,0,1,1    (optimizable) :  2.338053040573438E-03
   gamma_3,2,0,1,1    (optimizable) : -1.905169510883199E-04
   gamma_3,3,0,1,1    (optimizable) : -1.522671465916928E-04
   gamma_1,1,1,1,1    (optimizable) :  7.719309329649474E-04
   gamma_2,2,1,1,1    (optimizable) : -6.059729533845884E-03
   gamma_0,0,2,1,1    (optimizable) : -5.283804130981905E-05
   gamma_1,0,2,1,1    (optimizable) : -6.271381634826236E-04
   gamma_2,0,2,1,1    (optimizable) :  2.220815523860422E-03
   gamma_1,1,2,1,1    (optimizable) :  5.299982284459893E-04
   gamma_2,1,2,1,1    (optimizable) : -4.702437805810686E-03
   gamma_3,1,2,1,1    (optimizable) : -7.209443410149550E-04
   gamma_2,2,2,1,1    (optimizable) :  7.669601571266220E-03
   gamma_3,2,2,1,1    (optimizable) : -8.333847385026004E-04
   gamma_3,3,2,1,1    (optimizable) :  1.126167761480574E-04
   gamma_0,0,3,1,1    (optimizable) :  2.036164481993919E-04
   gamma_1,0,3,1,1    (optimizable) : -1.889975213719468E-04
   gamma_2,0,3,1,1    (optimizable) : -6.866145285830381E-04
   gamma_1,1,3,1,1    (optimizable) :  1.060155647695351E-03
   gamma_2,1,3,1,1    (optimizable) :  8.198455496618352E-04
   gamma_3,1,3,1,1    (optimizable) :  9.361573389564425E-06
   gamma_2,2,3,1,1    (optimizable) : -2.047658331340016E-03
   gamma_3,2,3,1,1    (optimizable) :  3.729788740475536E-04
   gamma_3,3,3,1,1    (optimizable) : -5.867051660622031E-05
   gamma_1,1,0,2,1    (optimizable) : -4.778542182673555E-04
   gamma_2,1,0,2,1    (optimizable) : -5.733779865663238E-03
   gamma_3,1,0,2,1    (optimizable) :  5.056332931688750E-03
   gamma_2,2,0,2,1    (optimizable) :  8.969658818373820E-03
   gamma_3,2,0,2,1    (optimizable) : -6.431822826900939E-03
   gamma_3,3,0,2,1    (optimizable) :  2.552400458206486E-03
   gamma_1,1,1,2,1    (optimizable) :  5.837803806722356E-03
   gamma_2,2,1,2,1    (optimizable) :  6.590592184697508E-03
   gamma_0,0,2,2,1    (optimizable) : -1.428129357330355E-03
   gamma_1,0,2,2,1    (optimizable) : -2.161270068694363E-04
   gamma_2,0,2,2,1    (optimizable) :  4.112341518983295E-03
   gamma_1,1,2,2,1    (optimizable) : -1.171967502291913E-03
   gamma_2,1,2,2,1    (optimizable) : -3.085288808600583E-03
   gamma_3,1,2,2,1    (optimizable) :  2.471374403391815E-03
   gamma_2,2,2,2,1    (optimizable) : -3.526320915835153E-03
   gamma_3,2,2,2,1    (optimizable) :  1.970704144436951E-03
   gamma_3,3,2,2,1    (optimizable) : -1.508383345301804E-03
   gamma_0,0,3,2,1    (optimizable) :  2.526258869163979E-03
   gamma_1,0,3,2,1    (optimizable) : -3.927262396449577E-03
   gamma_2,0,3,2,1    (optimizable) :  1.229726036403230E-03
   gamma_1,1,3,2,1    (optimizable) :  7.895132315383082E-03
   gamma_2,1,3,2,1    (optimizable) : -3.138590195112385E-03
   gamma_3,1,3,2,1    (optimizable) :  8.304453231939208E-05
   gamma_2,2,3,2,1    (optimizable) :  2.149099726078216E-03
   gamma_3,2,3,2,1    (optimizable) : -6.407948091049169E-04
   gamma_3,3,3,2,1    (optimizable) :  4.166881405397256E-04
   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.


 Setup complete.

 Time taken in setup    : : :        0.0400 s

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


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

 Running VMC equilibration (5000 moves).
  Performing time-step optimization.
  Optimized DTVMC:  6.4024E-02
 Done. [total CPU time: 0s]

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

 Starting VMC.

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

 Acceptance ratio <level 1>        (%)  =  52.2266
 Acceptance ratio <levels 1-2>     (%)  =  50.6641
 Diffusion constant           (Bohr^2)  = 8.2147E-02
 Correlation time              (steps)  = 3.7566E+00 +- 2.0400E+00
 Efficiency               (au^-2 s^-1)  = 1.3855E+03
 No. of VMC steps per MPI process       = 64

  Block average energies (au)

  Total energy                       (au) =        -128.986433929538
  Standard error                        +/-           0.120809977328

  Kinetic energy KEI (used in Total) (au) =         120.703568281034
  Standard error                        +/-           4.193086395688

  Kinetic energy TI                  (au) =         123.017274738617
  Standard error                        +/-           2.572881818192

  Kinetic energy FISQ                (au) =         125.330981196200
  Standard error                        +/-           2.966350013786

  Potential energy                   (au) =        -249.690002210572
  Standard error                        +/-           4.205666871140

  e-e interaction                    (au) =          52.590263804222
  Standard error                        +/-           0.500129949039

  e-n interaction                    (au) =        -302.280266014793
  Standard error                        +/-           4.447258504166

  Variance of local energy           (au) =           4.918769348701
  Standard error                        +/-           3.388137281722

  Maximum distance from origin       (au) =           2.819726434643


 Time taken in block    : : :        0.0100 s

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

  VMC energy (au)    Standard error      Correction for serial correlation

 -128.986433929538 +/- 0.120809977328      No correction
 -128.986433929538 +/- 0.234151946566      Correlation time method
 -128.986433929538 +/- 0.180086926036      On-the-fly reblocking method

 Bad reblock convergence - probably not enough data samples.

 Dumping reblock data for energy:
      mean:   -128.986433929538 +/-       0.180086926036
    stderr:      0.180086926036 +/-       0.073520179689
    errfac:      1.490662692082 +/-       0.608560495701
    N_corr:      2.222075261565 +/-       1.814316853632
   ------------------------------------------------------
    Block len      Std error   Err in error
            1   1.208100E-01   1.076261E-02
            2   1.366569E-01   1.735545E-02
            4   1.551631E-01   2.832877E-02
            8   1.911483E-01   5.108653E-02
           16   1.800869E-01   7.352018E-02  *** BEST ***
           32   1.473397E-01   1.041849E-01
   ------------------------------------------------------

  Sample variance of E_L (au^2/sim.cell) : 4.918769348701

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


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

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


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

 Random number generator reset to state in config.in.

 EBEST = -128.98643392953758 (au/prim cell inc. N-N)
 EREF  = -128.98643392953758

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

 Number of moves in block                 : 500
 Load-balancing efficiency (%)            : 99.360
 Number of config transfers               : 123
 Acceptance ratio (%)                     : 89.830
 New best estimate of DMC energy (au)     : -128.86208642
 Max no of attempts before accept move    : 6
 Maximum distance from origin (au)        : 4.62112623

 Time taken in block    : : :        8.1900 s


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

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


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

 Random number generator reset to state in config.in.

 EBEST = -128.86208641903747 (au/prim cell inc. N-N)
 EREF  = -128.83245979712407

 Number of previous DMC stats accumulation moves : 0

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

 Number of moves in block                 : 400
 Load-balancing efficiency (%)            : 99.386
 Number of config transfers               : 98
 Acceptance ratio (%)                     : 89.788
 New best estimate of DMC energy (au)     : -128.93791180
 Max no of attempts before accept move    : 5
 New best estimate of effective time step : 0.00299712
 Maximum distance from origin (au)        : 5.01159758

 Time taken in block    : : :        6.8200 s

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

 Number of moves in block                 : 400
 Load-balancing efficiency (%)            : 99.424
 Number of config transfers               : 82
 Acceptance ratio (%)                     : 89.999
 New best estimate of DMC energy (au)     : -128.95289246
 Max no of attempts before accept move    : 9
 New best estimate of effective time step : 0.00300087
 Maximum distance from origin (au)        : 6.50542202

 Time taken in block    : : :        6.8500 s

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

 Number of moves in block                 : 400
 Load-balancing efficiency (%)            : 99.440
 Number of config transfers               : 109
 Acceptance ratio (%)                     : 90.043
 New best estimate of DMC energy (au)     : -128.95870872
 Max no of attempts before accept move    : 7
 New best estimate of effective time step : 0.00300113
 Maximum distance from origin (au)        : 6.30684721

 Time taken in block    : : :        7.2100 s

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

 Number of moves in block                 : 400
 Load-balancing efficiency (%)            : 99.418
 Number of config transfers               : 95
 Acceptance ratio (%)                     : 90.313
 New best estimate of DMC energy (au)     : -128.95241707
 Max no of attempts before accept move    : 5
 New best estimate of effective time step : 0.00300138
 Maximum distance from origin (au)        : 5.59680688

 Time taken in block    : : :        6.8100 s

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

 Number of moves in block                 : 400
 Load-balancing efficiency (%)            : 99.394
 Number of config transfers               : 102
 Acceptance ratio (%)                     : 89.911
 New best estimate of DMC energy (au)     : -128.94321762
 Max no of attempts before accept move    : 5
 New best estimate of effective time step : 0.00300082
 Maximum distance from origin (au)        : 4.31823417

 Time taken in block    : : :        7.3500 s


 Mixed estimators of the energies at the end of the run
 ------------------------------------------------------
 [All energies given in (au)]
 Bad reblock convergence for ETOT. Too few data points? Standard error in
 standard error larger than 10%.

 Total energy                 =     -128.943217615484 +/-        0.007021957407
 Kinetic energy (TI)          =      128.627539640751 +/-        0.280485709903
 Kinetic energy (KEI)         =      128.890340309986 +/-        0.345956411953
 Kinetic energy (FISQ)        =      128.364738971516 +/-        0.410299339574
 e-e interac. (Ewald/Coulomb) =       52.974815622298 +/-        0.142877434735
 e-i interaction (local)      =     -310.808373547767 +/-        0.370322658550

 Dump of raw reblock data
 ------------------------
 Number of data points collected = 2000
 Dumping reblock data for energy:
      mean:   -128.943217615484 +/-       0.007021957407
    stderr:      0.007021957407 +/-       0.000902777036
    errfac:      2.637173102423 +/-       0.339047815252
    N_corr:      6.954681972144 +/-       1.788255557636
   ------------------------------------------------------
    Block len      Std error   Err in error
            1   2.662684E-03   4.211125E-05
            2   3.160286E-03   7.070150E-05
            4   3.653124E-03   1.156376E-04
            8   4.273720E-03   1.915100E-04
           16   5.071268E-03   3.220258E-04
           32   5.898267E-03   5.318288E-04
           64   7.021957E-03   9.027770E-04  *** BEST ***
          128   8.085388E-03   1.494989E-03
          256   8.941283E-03   2.422320E-03
          512   1.124422E-02   4.663885E-03
   ------------------------------------------------------

 Analysis of statistical efficiency -- see PRB 81, 035119 (2010).
 ------------------------------------------------------------------
 Int corr length (steps)      =        6.954681972144 +/-        1.788255557636
 DMC time step (au)           =        0.003333000000
 Int correlation time (au)    =        0.023179955013 +/-        0.005960255774
 Var of loc en (au / simcell) =        3.558714260132 +/-        0.019446754389
 Std dev of local energy      =        1.886455475258
 Number of steps of accum data=     2000.000000000000
 Effective number of steps    =     1998.393877988648
 Target weight                =      256.000000000000
 Average population           =      253.487500000000 +/-        0.161323965594
 Effective population         =      233.090537509875
 Stat inefficiency (est)      =        1.017597980782 +/-        0.004613050890
 Stat inefficiency (measured) =        1.088380644895

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

 Total CASINO CPU time  : : :       43.6200 s
 Total CASINO real time : : :       43.7310 s


 Subroutine timers deactivated (use TIMING_INFO input keyword)

 =========================================================================
 Ends 2026/08/25 13:38:50.233

Job finished: Вт 25 авг 2026 13:38:50 +07
