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+---------------------------------------------------+
| |
| WANNIER90 |
| |
+---------------------------------------------------+
| |
| Welcome to the Maximally-Localized |
| Generalized Wannier Functions code |
| http://www.wannier.org |
| |
| |
| Wannier90 Developer Group: |
| Giovanni Pizzi (EPFL) |
| Valerio Vitale (Cambridge) |
| David Vanderbilt (Rutgers University) |
| Nicola Marzari (EPFL) |
| Ivo Souza (Universidad del Pais Vasco) |
| Arash A. Mostofi (Imperial College London) |
| Jonathan R. Yates (University of Oxford) |
| |
| For the full list of Wannier90 3.x authors, |
| please check the code documentation and the |
| README on the GitHub page of the code |
| |
| |
| Please cite |
| |
| [ref] "Wannier90 as a community code: |
| new features and applications", |
| G. Pizzi et al., J. Phys. Cond. Matt. 32, |
| 165902 (2020). |
| http://doi.org/10.1088/1361-648X/ab51ff |
| |
| in any publications arising from the use of |
| this code. For the method please cite |
| |
| [ref] "Maximally Localized Generalised Wannier |
| Functions for Composite Energy Bands" |
| N. Marzari and D. Vanderbilt |
| Phys. Rev. B 56 12847 (1997) |
| |
| [ref] "Maximally Localized Wannier Functions |
| for Entangled Energy Bands" |
| I. Souza, N. Marzari and D. Vanderbilt |
| Phys. Rev. B 65 035109 (2001) |
| |
| |
| Copyright (c) 1996-2020 |
| The Wannier90 Developer Group and |
| individual contributors |
| |
| Release: 3.1.0 5th March 2020 |
| |
| This program is free software; you can |
| redistribute it and/or modify it under the terms |
| of the GNU General Public License as published by |
| the Free Software Foundation; either version 2 of |
| the License, or (at your option) any later version|
| |
| This program is distributed in the hope that it |
| will be useful, but WITHOUT ANY WARRANTY; without |
| even the implied warranty of MERCHANTABILITY or |
| FITNESS FOR A PARTICULAR PURPOSE. See the GNU |
| General Public License for more details. |
| |
| You should have received a copy of the GNU General|
| Public License along with this program; if not, |
| write to the Free Software Foundation, Inc., |
| 675 Mass Ave, Cambridge, MA 02139, USA. |
| |
+---------------------------------------------------+
| Execution started on 5Jun2024 at 10:53:50 |
+---------------------------------------------------+
******************************************************************************
* -> Using CODATA 2006 constant values *
* (http://physics.nist.gov/cuu/Constants/index.html) *
* -> Using Bohr value from CODATA *
******************************************************************************
Running in serial (with serial executable)
------
SYSTEM
------
Lattice Vectors (Ang)
a_1 3.433500 1.982332 6.602333
a_2 -3.433500 1.982332 6.602333
a_3 0.000000 -3.964664 6.602333
Unit Cell Volume: 269.62625 (Ang^3)
Reciprocal-Space Vectors (Ang^-1)
b_1 0.914983 0.528265 0.317220
b_2 -0.914983 0.528265 0.317220
b_3 0.000000 -1.056531 0.317220
*----------------------------------------------------------------------------*
| Site Fractional Coordinate Cartesian Coordinate (Ang) |
+----------------------------------------------------------------------------+
| Cr 1 0.33368 0.33368 -0.66632 | 0.00000 3.96466 0.00680 |
| Cr 2 0.66632 0.66632 -0.33368 | 0.00000 3.96466 6.59553 |
| I 1 0.56994 0.92223 -0.72907 | -1.20959 5.84849 5.03824 |
| I 2 0.92223 0.27093 -0.43006 | 2.23624 4.07028 5.03824 |
| I 3 0.27093 0.56994 -0.07777 | -1.02665 1.97522 5.03824 |
| I 4 0.43006 0.07777 -0.27093 | 1.20959 2.08083 1.56409 |
| I 5 1.07777 -0.27093 -0.56994 | 4.63076 3.85905 1.56409 |
| I 6 0.72907 -0.56994 0.07777 | 4.46015 0.00712 1.56409 |
*----------------------------------------------------------------------------*
------------
K-POINT GRID
------------
Grid size = 2 x 2 x 2 Total points = 8
*---------------------------------- MAIN ------------------------------------*
| Number of Wannier Functions : 18 |
| Number of Objective Wannier Functions : 18 |
| Number of input Bloch states : 18 |
| Output verbosity (1=low, 5=high) : 1 |
| Timing Level (1=low, 5=high) : 1 |
| Optimisation (0=memory, 3=speed) : 3 |
| Length Unit : Ang |
| Post-processing setup (write *.nnkp) : F |
| Using Gamma-only branch of algorithms : F |
*----------------------------------------------------------------------------*
*------------------------------- WANNIERISE ---------------------------------*
| Total number of iterations : 1000 |
| Number of CG steps before reset : 5 |
| Trial step length for line search : 2.000 |
| Convergence tolerence : 0.100E-09 |
| Convergence window : 5 |
| Iterations between writing output : 10 |
| Iterations between backing up to disk : 100 |
| Write r^2_nm to file : F |
| Write xyz WF centres to file : T |
| Write on-site energies <0n|H|0n> to file : F |
| Use guiding centre to control phases : T |
| Use phases for initial projections : F |
| Iterations before starting guiding centres: 0 |
| Iterations between using guiding centres : 1 |
*----------------------------------------------------------------------------*
*-------------------------------- PLOTTING ----------------------------------*
| Plotting interpolated bandstructure : T |
| Number of K-path sections : 4 |
| Divisions along first K-path section : 100 |
| Output format : gnuplot |
| Output mode : s-k |
*----------------------------------------------------------------------------*
| K-space path sections: |
| From: G 0.000 0.000 0.000 To: T 0.500 0.500 0.500 |
| From: T 0.500 0.500 0.500 To: L 0.500 0.000 0.000 |
| From: L 0.500 0.000 0.000 To: F 0.500 0.000 0.500 |
| From: F 0.500 0.000 0.500 To: G 0.000 0.000 0.000 |
*----------------------------------------------------------------------------*
Time to read parameters 0.003 (sec)
*---------------------------------- K-MESH ----------------------------------*
+----------------------------------------------------------------------------+
| Distance to Nearest-Neighbour Shells |
| ------------------------------------ |
| Shell Distance (Ang^-1) Multiplicity |
| ----- ----------------- ------------ |
| 1 0.475831 2 |
| 2 0.551563 6 |
| 3 0.616192 6 |
| 4 0.825578 6 |
| 5 0.914983 6 |
| 6 0.951661 2 |
| 7 0.952887 6 |
| 8 1.031314 12 |
| 9 1.068370 6 |
| 10 1.103126 6 |
| 11 1.229539 6 |
| 12 1.232385 6 |
| 13 1.320171 12 |
| 14 1.321055 6 |
| 15 1.374455 6 |
| 16 1.406630 12 |
| 17 1.427492 2 |
| 18 1.433206 12 |
| 19 1.532632 6 |
| 20 1.534916 12 |
| 21 1.584796 6 |
| 22 1.606979 12 |
| 23 1.651157 6 |
| 24 1.654689 12 |
| 25 1.671761 6 |
| 26 1.695561 12 |
| 27 1.784980 12 |
| 28 1.822933 6 |
| 29 1.829965 6 |
| 30 1.848577 12 |
| 31 1.887727 12 |
| 32 1.890817 12 |
| 33 1.903323 2 |
| 34 1.905775 6 |
| 35 1.911281 12 |
| 36 1.930924 12 |
+----------------------------------------------------------------------------+
| The b-vectors are chosen automatically |
| The following shells are used: 1, 2 |
+----------------------------------------------------------------------------+
| Shell # Nearest-Neighbours |
| ----- -------------------- |
| 1 2 |
| 2 6 |
+----------------------------------------------------------------------------+
| Completeness relation is fully satisfied [Eq. (B1), PRB 56, 12847 (1997)] |
+----------------------------------------------------------------------------+
| b_k Vectors (Ang^-1) and Weights (Ang^2) |
| ---------------------------------------- |
| No. b_k(x) b_k(y) b_k(z) w_b |
| --- -------------------------------- -------- |
| 1 0.000000 0.000000 0.475831 1.810180 |
| 2 0.000000 0.000000 -0.475831 1.810180 |
| 3 0.000000 -0.528265 0.158610 1.194468 |
| 4 -0.457491 0.264133 0.158610 1.194468 |
| 5 0.457491 0.264133 0.158610 1.194468 |
| 6 0.000000 0.528265 -0.158610 1.194468 |
| 7 0.457491 -0.264133 -0.158610 1.194468 |
| 8 -0.457491 -0.264133 -0.158610 1.194468 |
+----------------------------------------------------------------------------+
| b_k Directions (Ang^-1) |
| ----------------------- |
| No. x y z |
| --- -------------------------------- |
| 1 0.000000 0.000000 0.475831 |
| 2 0.000000 -0.528265 0.158610 |
| 3 -0.457491 0.264133 0.158610 |
| 4 0.457491 0.264133 0.158610 |
+----------------------------------------------------------------------------+
Time to get kmesh 0.007 (sec)
*============================================================================*
| MEMORY ESTIMATE |
| Maximum RAM allocated during each phase of the calculation |
*============================================================================*
| Wannierise: 0.87 Mb |
| plot_wannier: 0.87 Mb |
*----------------------------------------------------------------------------*
Starting a new Wannier90 calculation ...
Reading overlaps from wann.mmn : Created on 5Jun2024 at 10:53:50
Reading projections from wann.amn : Created on 5Jun2024 at 10:53:48
Time to read overlaps 0.016 (sec)
Writing checkpoint file wann.chk... done
*------------------------------- WANNIERISE ---------------------------------*
+--------------------------------------------------------------------+<-- CONV
| Iter Delta Spread RMS Gradient Spread (Ang^2) Time |<-- CONV
+--------------------------------------------------------------------+<-- CONV
------------------------------------------------------------------------------
Initial State
WF centre and spread 1 ( -1.254228, 5.761663, 5.131693 ) 2.22663756
WF centre and spread 2 ( -1.330550, 5.774899, 5.230532 ) 2.19111373
WF centre and spread 3 ( -1.176609, 5.745701, 5.179039 ) 2.18049969
WF centre and spread 4 ( 2.183360, 4.152358, 5.131693 ) 2.22663746
WF centre and spread 5 ( 2.102144, 4.130287, 5.226525 ) 2.18549290
WF centre and spread 6 ( 2.253593, 4.172677, 5.181864 ) 2.18932487
WF centre and spread 7 ( -0.929132, 1.979972, 5.131693 ) 2.22663763
WF centre and spread 8 ( -0.976268, 1.980752, 5.156358 ) 2.18685988
WF centre and spread 9 ( -0.885488, 1.985128, 5.252461 ) 2.19362820
WF centre and spread 10 ( 1.254227, 2.167666, 1.470641 ) 2.22663695
WF centre and spread 11 ( 1.330550, 2.154429, 1.371802 ) 2.19111304
WF centre and spread 12 ( 1.176609, 2.183628, 1.423295 ) 2.18049903
WF centre and spread 13 ( 4.683640, 3.776971, 1.470641 ) 2.22663683
WF centre and spread 14 ( 4.764856, 3.799042, 1.375808 ) 2.18549238
WF centre and spread 15 ( 4.613407, 3.756652, 1.420470 ) 2.18932413
WF centre and spread 16 ( 4.362633, 0.002360, 1.470641 ) 2.22663698
WF centre and spread 17 ( 4.409768, 0.001580, 1.445975 ) 2.18685897
WF centre and spread 18 ( 4.318988, -0.002796, 1.349872 ) 2.19362766
Sum of centres and spreads ( 30.901500, 53.522968, 59.421002 ) 39.61365790
0 0.396E+02 0.0000000000 39.6136578928 0.00 <-- CONV
O_D= 0.0046138 O_OD= 1.4162118 O_TOT= 39.6136579 <-- SPRD
------------------------------------------------------------------------------
Cycle: 1
WF centre and spread 1 ( -1.254706, 5.761907, 5.131344 ) 2.22402693
WF centre and spread 2 ( -1.332448, 5.774414, 5.231836 ) 2.19143860
WF centre and spread 3 ( -1.176060, 5.744640, 5.179144 ) 2.17520832
WF centre and spread 4 ( 2.183922, 4.152691, 5.131366 ) 2.22405679
WF centre and spread 5 ( 2.100312, 4.130281, 5.227371 ) 2.18656929
WF centre and spread 6 ( 2.254187, 4.174399, 5.182330 ) 2.18328734
WF centre and spread 7 ( -0.929132, 1.979537, 5.131356 ) 2.22400983
WF centre and spread 8 ( -0.975550, 1.980370, 5.156264 ) 2.17816348
WF centre and spread 9 ( -0.884243, 1.985252, 5.253958 ) 2.19716294
WF centre and spread 10 ( 1.254705, 2.167422, 1.470990 ) 2.22402635
WF centre and spread 11 ( 1.332448, 2.154914, 1.370498 ) 2.19143790
WF centre and spread 12 ( 1.176060, 2.184688, 1.423189 ) 2.17520770
WF centre and spread 13 ( 4.683078, 3.776638, 1.470968 ) 2.22405619
WF centre and spread 14 ( 4.766688, 3.799048, 1.374963 ) 2.18656879
WF centre and spread 15 ( 4.612814, 3.754929, 1.420003 ) 2.18328662
WF centre and spread 16 ( 4.362632, 0.002795, 1.470977 ) 2.22400921
WF centre and spread 17 ( 4.409050, 0.001962, 1.446069 ) 2.17816260
WF centre and spread 18 ( 4.317744, -0.002920, 1.348376 ) 2.19716240
Sum of centres and spreads ( 30.901500, 53.522968, 59.421002 ) 39.56784129
1 -0.458E-01 0.5503462781 39.5678412862 0.02 <-- CONV
O_D= 0.0045851 O_OD= 1.3704239 O_TOT= 39.5678413 <-- SPRD
Delta: O_D= -0.2872706E-04 O_OD= -0.4578788E-01 O_TOT= -0.4581661E-01 <-- DLTA
------------------------------------------------------------------------------
Cycle: 10
WF centre and spread 1 ( -1.253792, 5.760999, 5.129195 ) 2.22185625
WF centre and spread 2 ( -1.339423, 5.778707, 5.231577 ) 2.19103777
WF centre and spread 3 ( -1.171042, 5.740579, 5.181242 ) 2.17355229
WF centre and spread 4 ( 2.189885, 4.156573, 5.130968 ) 2.22340608
WF centre and spread 5 ( 2.093629, 4.124875, 5.226244 ) 2.18637266
WF centre and spread 6 ( 2.254151, 4.176677, 5.183549 ) 2.18153596
WF centre and spread 7 ( -0.929439, 1.985440, 5.131040 ) 2.22411827
WF centre and spread 8 ( -0.975264, 1.981491, 5.156096 ) 2.17526818
WF centre and spread 9 ( -0.883893, 1.977372, 5.254184 ) 2.19773215
WF centre and spread 10 ( 1.253791, 2.168330, 1.473139 ) 2.22185566
WF centre and spread 11 ( 1.339423, 2.150622, 1.370756 ) 2.19103705
WF centre and spread 12 ( 1.171042, 2.188749, 1.421091 ) 2.17355168
WF centre and spread 13 ( 4.677116, 3.772756, 1.471366 ) 2.22340550
WF centre and spread 14 ( 4.773371, 3.804454, 1.376090 ) 2.18637215
WF centre and spread 15 ( 4.612849, 3.752652, 1.418785 ) 2.18153525
WF centre and spread 16 ( 4.362939, -0.003109, 1.471293 ) 2.22411765
WF centre and spread 17 ( 4.408764, 0.000840, 1.446237 ) 2.17526731
WF centre and spread 18 ( 4.317393, 0.004961, 1.348149 ) 2.19773162
Sum of centres and spreads ( 30.901500, 53.522968, 59.421002 ) 39.54975348
10 -0.303E-02 0.1608656108 39.5497534753 0.04 <-- CONV
O_D= 0.0046152 O_OD= 1.3523060 O_TOT= 39.5497535 <-- SPRD
Delta: O_D= 0.1230737E-04 O_OD= -0.3041717E-02 O_TOT= -0.3029410E-02 <-- DLTA
------------------------------------------------------------------------------
Cycle: 20
WF centre and spread 1 ( -1.252045, 5.759878, 5.125548 ) 2.21662750
WF centre and spread 2 ( -1.353638, 5.788121, 5.230864 ) 2.19011785
WF centre and spread 3 ( -1.160247, 5.731028, 5.186055 ) 2.17359675
WF centre and spread 4 ( 2.204244, 4.166657, 5.131619 ) 2.22111959
WF centre and spread 5 ( 2.079466, 4.111176, 5.221926 ) 2.18401871
WF centre and spread 6 ( 2.252989, 4.181689, 5.187769 ) 2.18136790
WF centre and spread 7 ( -0.929722, 2.001144, 5.131646 ) 2.22410084
WF centre and spread 8 ( -0.975328, 1.985938, 5.156117 ) 2.17445553
WF centre and spread 9 ( -0.883515, 1.954919, 5.254195 ) 2.19633524
WF centre and spread 10 ( 1.252044, 2.169451, 1.476785 ) 2.21662376
WF centre and spread 11 ( 1.353638, 2.141208, 1.371469 ) 2.19011572
WF centre and spread 12 ( 1.160247, 2.198301, 1.416279 ) 2.17359432
WF centre and spread 13 ( 4.662756, 3.762672, 1.470715 ) 2.22111859
WF centre and spread 14 ( 4.787533, 3.818153, 1.380407 ) 2.18401782
WF centre and spread 15 ( 4.614011, 3.747640, 1.414565 ) 2.18136710
WF centre and spread 16 ( 4.363222, -0.018812, 1.470687 ) 2.22410085
WF centre and spread 17 ( 4.408828, -0.003606, 1.446217 ) 2.17445477
WF centre and spread 18 ( 4.317015, 0.027413, 1.348139 ) 2.19633528
Sum of centres and spreads ( 30.901500, 53.522968, 59.421002 ) 39.52346811
20 -0.678E-03 0.0824041883 39.5234681083 0.05 <-- CONV
O_D= 0.0047594 O_OD= 1.3258764 O_TOT= 39.5234681 <-- SPRD
Delta: O_D= 0.1206948E-04 O_OD= -0.6896657E-03 O_TOT= -0.6775963E-03 <-- DLTA
------------------------------------------------------------------------------
Cycle: 30
WF centre and spread 1 ( -1.250710, 5.759690, 5.123975 ) 2.21361874
WF centre and spread 2 ( -1.361269, 5.793299, 5.230260 ) 2.18999913
WF centre and spread 3 ( -1.154822, 5.725484, 5.188564 ) 2.17434176
WF centre and spread 4 ( 2.213691, 4.173757, 5.132982 ) 2.21900560
WF centre and spread 5 ( 2.072022, 4.101273, 5.217148 ) 2.18207359
WF centre and spread 6 ( 2.251066, 4.185553, 5.191790 ) 2.18201252
WF centre and spread 7 ( -0.929537, 2.013895, 5.132998 ) 2.22373849
WF centre and spread 8 ( -0.975326, 1.992144, 5.156428 ) 2.17414489
WF centre and spread 9 ( -0.883726, 1.933653, 5.253330 ) 2.19457767
WF centre and spread 10 ( 1.250710, 2.169639, 1.478358 ) 2.21361692
WF centre and spread 11 ( 1.361269, 2.136030, 1.372073 ) 2.18999899
WF centre and spread 12 ( 1.154822, 2.203845, 1.413769 ) 2.17433809
WF centre and spread 13 ( 4.653310, 3.755572, 1.469351 ) 2.21900309
WF centre and spread 14 ( 4.794977, 3.828056, 1.385185 ) 2.18207287
WF centre and spread 15 ( 4.615935, 3.743776, 1.410543 ) 2.18200988
WF centre and spread 16 ( 4.363037, -0.031563, 1.469335 ) 2.22373840
WF centre and spread 17 ( 4.408827, -0.009813, 1.445905 ) 2.17414399
WF centre and spread 18 ( 4.317226, 0.048679, 1.349003 ) 2.19457831
Sum of centres and spreads ( 30.901500, 53.522968, 59.421002 ) 39.50701293
30 -0.627E-03 0.0772504240 39.5070129295 0.07 <-- CONV
O_D= 0.0048869 O_OD= 1.3092937 O_TOT= 39.5070129 <-- SPRD
Delta: O_D= 0.1409965E-04 O_OD= -0.6410538E-03 O_TOT= -0.6269542E-03 <-- DLTA
------------------------------------------------------------------------------
Cycle: 40
WF centre and spread 1 ( -1.248679, 5.759419, 5.123045 ) 2.21125360
WF centre and spread 2 ( -1.367758, 5.797501, 5.229945 ) 2.19006529
WF centre and spread 3 ( -1.150888, 5.721562, 5.190151 ) 2.17538234
WF centre and spread 4 ( 2.220995, 4.179490, 5.134893 ) 2.21723937
WF centre and spread 5 ( 2.068405, 4.093253, 5.212006 ) 2.18077460
WF centre and spread 6 ( 2.248145, 4.188376, 5.195806 ) 2.18342964
WF centre and spread 7 ( -0.928959, 2.026944, 5.135135 ) 2.22326612
WF centre and spread 8 ( -0.974776, 2.001767, 5.157527 ) 2.17411625
WF centre and spread 9 ( -0.884961, 1.908376, 5.251082 ) 2.19202018
WF centre and spread 10 ( 1.248678, 2.169910, 1.479288 ) 2.21124691
WF centre and spread 11 ( 1.367758, 2.131828, 1.372389 ) 2.19006190
WF centre and spread 12 ( 1.150888, 2.207766, 1.412183 ) 2.17537690
WF centre and spread 13 ( 4.646006, 3.749839, 1.467441 ) 2.21723719
WF centre and spread 14 ( 4.798595, 3.836076, 1.390327 ) 2.18077328
WF centre and spread 15 ( 4.618855, 3.740953, 1.406527 ) 2.18342810
WF centre and spread 16 ( 4.362459, -0.044613, 1.467198 ) 2.22326602
WF centre and spread 17 ( 4.408276, -0.019435, 1.444806 ) 2.17411522
WF centre and spread 18 ( 4.318461, 0.073957, 1.351251 ) 2.19201996
Sum of centres and spreads ( 30.901500, 53.522968, 59.421002 ) 39.49507288
40 -0.220E-02 0.0592325569 39.4950728753 0.08 <-- CONV
O_D= 0.0049763 O_OD= 1.2972643 O_TOT= 39.4950729 <-- SPRD
Delta: O_D= 0.2239787E-04 O_OD= -0.2217492E-02 O_TOT= -0.2195094E-02 <-- DLTA
------------------------------------------------------------------------------
Cycle: 50
WF centre and spread 1 ( -1.247569, 5.759220, 5.122715 ) 2.20992957
WF centre and spread 2 ( -1.370666, 5.798716, 5.230129 ) 2.19037611
WF centre and spread 3 ( -1.149668, 5.720165, 5.190562 ) 2.17561820
WF centre and spread 4 ( 2.223379, 4.181509, 5.135687 ) 2.21618518
WF centre and spread 5 ( 2.067701, 4.090826, 5.210022 ) 2.18061258
WF centre and spread 6 ( 2.246567, 4.189481, 5.197105 ) 2.18315221
WF centre and spread 7 ( -0.928505, 2.031768, 5.136089 ) 2.22243009
WF centre and spread 8 ( -0.974096, 2.007131, 5.158353 ) 2.17341894
WF centre and spread 9 ( -0.885410, 1.897107, 5.249858 ) 2.19207110
WF centre and spread 10 ( 1.247568, 2.170109, 1.479619 ) 2.20992975
WF centre and spread 11 ( 1.370666, 2.130613, 1.372205 ) 2.19037547
WF centre and spread 12 ( 1.149668, 2.209163, 1.411771 ) 2.17561671
WF centre and spread 13 ( 4.643621, 3.747820, 1.466646 ) 2.21618335
WF centre and spread 14 ( 4.799299, 3.838503, 1.392311 ) 2.18061187
WF centre and spread 15 ( 4.620433, 3.739848, 1.405228 ) 2.18315097
WF centre and spread 16 ( 4.362005, -0.049436, 1.466244 ) 2.22242957
WF centre and spread 17 ( 4.407596, -0.024799, 1.443980 ) 2.17341784
WF centre and spread 18 ( 4.318910, 0.085225, 1.352476 ) 2.19207027
Sum of centres and spreads ( 30.901500, 53.522968, 59.421002 ) 39.48757978
50 -0.149E-03 0.0252749160 39.4875797826 0.10 <-- CONV
O_D= 0.0050412 O_OD= 1.2897062 O_TOT= 39.4875798 <-- SPRD
Delta: O_D= -0.6838706E-06 O_OD= -0.1479896E-03 O_TOT= -0.1486735E-03 <-- DLTA
------------------------------------------------------------------------------
Cycle: 60
WF centre and spread 1 ( -1.245546, 5.758788, 5.122504 ) 2.20840506
WF centre and spread 2 ( -1.374638, 5.800418, 5.230391 ) 2.19074867
WF centre and spread 3 ( -1.148243, 5.718854, 5.190875 ) 2.17618489
WF centre and spread 4 ( 2.225980, 4.183705, 5.136820 ) 2.21535473
WF centre and spread 5 ( 2.067483, 4.088213, 5.207666 ) 2.18047959
WF centre and spread 6 ( 2.244503, 4.190357, 5.198527 ) 2.18328391
WF centre and spread 7 ( -0.927893, 2.036709, 5.137159 ) 2.22131867
WF centre and spread 8 ( -0.972622, 2.016159, 5.160417 ) 2.17312757
WF centre and spread 9 ( -0.886783, 1.881957, 5.247391 ) 2.19163527
WF centre and spread 10 ( 1.245545, 2.170541, 1.479830 ) 2.20840563
WF centre and spread 11 ( 1.374638, 2.128910, 1.371943 ) 2.19074798
WF centre and spread 12 ( 1.148243, 2.210474, 1.411459 ) 2.17618370
WF centre and spread 13 ( 4.641021, 3.745624, 1.465513 ) 2.21535282
WF centre and spread 14 ( 4.799516, 3.841116, 1.394668 ) 2.18047894
WF centre and spread 15 ( 4.622497, 3.738971, 1.403806 ) 2.18328284
WF centre and spread 16 ( 4.361393, -0.054377, 1.465174 ) 2.22131807
WF centre and spread 17 ( 4.406122, -0.033828, 1.441917 ) 2.17312649
WF centre and spread 18 ( 4.320283, 0.100375, 1.354943 ) 2.19163438
Sum of centres and spreads ( 30.901500, 53.522968, 59.421002 ) 39.48106921
60 -0.267E-03 0.0455920507 39.4810692044 0.12 <-- CONV
O_D= 0.0051208 O_OD= 1.2831161 O_TOT= 39.4810692 <-- SPRD
Delta: O_D= 0.6279376E-05 O_OD= -0.2731852E-03 O_TOT= -0.2669059E-03 <-- DLTA
------------------------------------------------------------------------------
Cycle: 70
WF centre and spread 1 ( -1.243380, 5.758236, 5.122573 ) 2.20736525
WF centre and spread 2 ( -1.378134, 5.801652, 5.230620 ) 2.19084038
WF centre and spread 3 ( -1.147268, 5.718217, 5.190887 ) 2.17670571
WF centre and spread 4 ( 2.227615, 4.185158, 5.137770 ) 2.21527518
WF centre and spread 5 ( 2.067566, 4.086711, 5.206162 ) 2.18034776
WF centre and spread 6 ( 2.242913, 4.190723, 5.199116 ) 2.18311926
WF centre and spread 7 ( -0.927526, 2.037768, 5.137215 ) 2.22013166
WF centre and spread 8 ( -0.970659, 2.025770, 5.163312 ) 2.17334053
WF centre and spread 9 ( -0.888256, 1.870846, 5.244847 ) 2.19142149
WF centre and spread 10 ( 1.243379, 2.171093, 1.479761 ) 2.20736411
WF centre and spread 11 ( 1.378135, 2.127677, 1.371714 ) 2.19083934
WF centre and spread 12 ( 1.147268, 2.211111, 1.411447 ) 2.17670460
WF centre and spread 13 ( 4.639386, 3.744171, 1.464564 ) 2.21527434
WF centre and spread 14 ( 4.799434, 3.842618, 1.396171 ) 2.18034712
WF centre and spread 15 ( 4.624087, 3.738605, 1.403218 ) 2.18311856
WF centre and spread 16 ( 4.361026, -0.055436, 1.465119 ) 2.22013090
WF centre and spread 17 ( 4.404159, -0.043439, 1.439022 ) 2.17333965
WF centre and spread 18 ( 4.321756, 0.111486, 1.357486 ) 2.19142081
Sum of centres and spreads ( 30.901500, 53.522968, 59.421002 ) 39.47708666
70 -0.105E-02 0.0428460596 39.4770866558 0.13 <-- CONV
O_D= 0.0051835 O_OD= 1.2790708 O_TOT= 39.4770867 <-- SPRD
Delta: O_D= 0.2680144E-04 O_OD= -0.1078099E-02 O_TOT= -0.1051297E-02 <-- DLTA
------------------------------------------------------------------------------
Cycle: 80
WF centre and spread 1 ( -1.242286, 5.757970, 5.122582 ) 2.20638311
WF centre and spread 2 ( -1.379846, 5.802411, 5.230923 ) 2.19120932
WF centre and spread 3 ( -1.146895, 5.718053, 5.190800 ) 2.17700174
WF centre and spread 4 ( 2.228356, 4.185728, 5.138038 ) 2.21464583
WF centre and spread 5 ( 2.067609, 4.086235, 5.205744 ) 2.18057465
WF centre and spread 6 ( 2.242387, 4.190458, 5.199479 ) 2.18363344
WF centre and spread 7 ( -0.927513, 2.036790, 5.136633 ) 2.21891264
WF centre and spread 8 ( -0.969442, 2.031008, 5.165043 ) 2.17330202
WF centre and spread 9 ( -0.889267, 1.866136, 5.243761 ) 2.19105853
WF centre and spread 10 ( 1.242285, 2.171359, 1.479751 ) 2.20638299
WF centre and spread 11 ( 1.379846, 2.126918, 1.371411 ) 2.19120849
WF centre and spread 12 ( 1.146895, 2.211275, 1.411533 ) 2.17700083
WF centre and spread 13 ( 4.638644, 3.743602, 1.464296 ) 2.21464452
WF centre and spread 14 ( 4.799391, 3.843094, 1.396589 ) 2.18057407
WF centre and spread 15 ( 4.624613, 3.738871, 1.402854 ) 2.18363267
WF centre and spread 16 ( 4.361013, -0.054458, 1.465700 ) 2.21891187
WF centre and spread 17 ( 4.402942, -0.048676, 1.437290 ) 2.17330114
WF centre and spread 18 ( 4.322767, 0.116196, 1.358572 ) 2.19105783
Sum of centres and spreads ( 30.901500, 53.522968, 59.421002 ) 39.47343569
80 -0.652E-04 0.0196028912 39.4734356913 0.15 <-- CONV
O_D= 0.0052248 O_OD= 1.2753786 O_TOT= 39.4734357 <-- SPRD
Delta: O_D= 0.4698810E-05 O_OD= -0.6991542E-04 O_TOT= -0.6521661E-04 <-- DLTA
------------------------------------------------------------------------------
Cycle: 90
WF centre and spread 1 ( -1.240288, 5.757451, 5.122854 ) 2.20523642
WF centre and spread 2 ( -1.382727, 5.803469, 5.231170 ) 2.19135941
WF centre and spread 3 ( -1.146324, 5.717869, 5.190596 ) 2.17745424
WF centre and spread 4 ( 2.229429, 4.186628, 5.138646 ) 2.21443388
WF centre and spread 5 ( 2.067606, 4.085647, 5.205177 ) 2.18066252
WF centre and spread 6 ( 2.241479, 4.190018, 5.199634 ) 2.18402742
WF centre and spread 7 ( -0.927775, 2.032947, 5.135005 ) 2.21684734
WF centre and spread 8 ( -0.966736, 2.041427, 5.168800 ) 2.17365864
WF centre and spread 9 ( -0.890949, 1.859354, 5.241685 ) 2.19067920
WF centre and spread 10 ( 1.240287, 2.171877, 1.479480 ) 2.20523573
WF centre and spread 11 ( 1.382727, 2.125859, 1.371163 ) 2.19135854
WF centre and spread 12 ( 1.146324, 2.211459, 1.411738 ) 2.17745338
WF centre and spread 13 ( 4.637571, 3.742701, 1.463688 ) 2.21443298
WF centre and spread 14 ( 4.799394, 3.843682, 1.397157 ) 2.18066193
WF centre and spread 15 ( 4.625521, 3.739310, 1.402699 ) 2.18402675
WF centre and spread 16 ( 4.361275, -0.050615, 1.467328 ) 2.21684650
WF centre and spread 17 ( 4.400237, -0.059096, 1.433533 ) 2.17365785
WF centre and spread 18 ( 4.324449, 0.122978, 1.360648 ) 2.19067859
Sum of centres and spreads ( 30.901500, 53.522968, 59.421002 ) 39.46871131
90 -0.198E-03 0.0406196147 39.4687113117 0.16 <-- CONV
O_D= 0.0052854 O_OD= 1.2705936 O_TOT= 39.4687113 <-- SPRD
Delta: O_D= 0.7171781E-05 O_OD= -0.2052456E-03 O_TOT= -0.1980738E-03 <-- DLTA
------------------------------------------------------------------------------
Cycle: 100
WF centre and spread 1 ( -1.238493, 5.757011, 5.123330 ) 2.20436599
WF centre and spread 2 ( -1.385129, 5.804418, 5.231169 ) 2.19125221
WF centre and spread 3 ( -1.145908, 5.717749, 5.190386 ) 2.17784280
WF centre and spread 4 ( 2.230335, 4.187353, 5.139274 ) 2.21459527
WF centre and spread 5 ( 2.067536, 4.085351, 5.204890 ) 2.18064643
WF centre and spread 6 ( 2.240732, 4.189325, 5.199556 ) 2.18458503
WF centre and spread 7 ( -0.928427, 2.027377, 5.132938 ) 2.21464750
WF centre and spread 8 ( -0.963514, 2.052166, 5.172891 ) 2.17423219
WF centre and spread 9 ( -0.892716, 1.854232, 5.239670 ) 2.19027236
WF centre and spread 10 ( 1.238492, 2.172318, 1.479004 ) 2.20436216
WF centre and spread 11 ( 1.385129, 2.124910, 1.371164 ) 2.19124961
WF centre and spread 12 ( 1.145907, 2.211580, 1.411947 ) 2.17783988
WF centre and spread 13 ( 4.636665, 3.741976, 1.463059 ) 2.21459460
WF centre and spread 14 ( 4.799464, 3.843978, 1.397444 ) 2.18064584
WF centre and spread 15 ( 4.626268, 3.740004, 1.402777 ) 2.18458438
WF centre and spread 16 ( 4.361928, -0.045045, 1.469395 ) 2.21464660
WF centre and spread 17 ( 4.397014, -0.069835, 1.429442 ) 2.17423140
WF centre and spread 18 ( 4.326216, 0.128100, 1.362663 ) 2.19027177
Sum of centres and spreads ( 30.901500, 53.522968, 59.421002 ) 39.46486603
100 -0.851E-03 0.0404796663 39.4648660323 0.18 <-- CONV
O_D= 0.0053474 O_OD= 1.2666863 O_TOT= 39.4648660 <-- SPRD
Delta: O_D= 0.2287900E-04 O_OD= -0.8736132E-03 O_TOT= -0.8507342E-03 <-- DLTA
------------------------------------------------------------------------------
Writing checkpoint file wann.chk... done
Cycle: 110
WF centre and spread 1 ( -1.237640, 5.756828, 5.123525 ) 2.20350519
WF centre and spread 2 ( -1.386467, 5.804673, 5.231342 ) 2.19180708
WF centre and spread 3 ( -1.145651, 5.717688, 5.190279 ) 2.17814833
WF centre and spread 4 ( 2.230902, 4.187862, 5.139520 ) 2.21428413
WF centre and spread 5 ( 2.067400, 4.085246, 5.204838 ) 2.18080763
WF centre and spread 6 ( 2.240263, 4.189181, 5.199205 ) 2.18397692
WF centre and spread 7 ( -0.928889, 2.023770, 5.131571 ) 2.21272847
WF centre and spread 8 ( -0.961509, 2.058297, 5.175209 ) 2.17445557
WF centre and spread 9 ( -0.893345, 1.851997, 5.238715 ) 2.19088206
WF centre and spread 10 ( 1.237639, 2.172501, 1.478809 ) 2.20350427
WF centre and spread 11 ( 1.386467, 2.124656, 1.370991 ) 2.19180625
WF centre and spread 12 ( 1.145651, 2.211640, 1.412054 ) 2.17814754
WF centre and spread 13 ( 4.636099, 3.741468, 1.462813 ) 2.21428339
WF centre and spread 14 ( 4.799599, 3.844083, 1.397496 ) 2.18080702
WF centre and spread 15 ( 4.626737, 3.740147, 1.403128 ) 2.18397630
WF centre and spread 16 ( 4.362389, -0.041438, 1.470763 ) 2.21272758
WF centre and spread 17 ( 4.395009, -0.075965, 1.427125 ) 2.17445484
WF centre and spread 18 ( 4.326845, 0.130335, 1.363618 ) 2.19088148
Sum of centres and spreads ( 30.901500, 53.522968, 59.421002 ) 39.46118405
110 -0.844E-04 0.0191953463 39.4611840510 0.19 <-- CONV
O_D= 0.0053960 O_OD= 1.2629557 O_TOT= 39.4611841 <-- SPRD
Delta: O_D= -0.1404130E-05 O_OD= -0.8302568E-04 O_TOT= -0.8442981E-04 <-- DLTA
------------------------------------------------------------------------------
Cycle: 120
WF centre and spread 1 ( -1.236396, 5.756605, 5.124013 ) 2.20252932
WF centre and spread 2 ( -1.388253, 5.805185, 5.231320 ) 2.19218545
WF centre and spread 3 ( -1.145282, 5.717537, 5.190143 ) 2.17857465
WF centre and spread 4 ( 2.231791, 4.188604, 5.140064 ) 2.21427346
WF centre and spread 5 ( 2.067206, 4.085143, 5.204807 ) 2.18092628
WF centre and spread 6 ( 2.239536, 4.188635, 5.198658 ) 2.18355741
WF centre and spread 7 ( -0.929799, 2.018185, 5.129714 ) 2.21014674
WF centre and spread 8 ( -0.958190, 2.067573, 5.178786 ) 2.17509459
WF centre and spread 9 ( -0.894580, 1.848759, 5.237045 ) 2.19132928
WF centre and spread 10 ( 1.236395, 2.172724, 1.478320 ) 2.20252847
WF centre and spread 11 ( 1.388253, 2.124144, 1.371014 ) 2.19218470
WF centre and spread 12 ( 1.145281, 2.211792, 1.412191 ) 2.17857394
WF centre and spread 13 ( 4.635210, 3.740726, 1.462270 ) 2.21427273
WF centre and spread 14 ( 4.799794, 3.844186, 1.397527 ) 2.18092566
WF centre and spread 15 ( 4.627464, 3.740693, 1.403675 ) 2.18355684
WF centre and spread 16 ( 4.363299, -0.035853, 1.472619 ) 2.21014584
WF centre and spread 17 ( 4.391690, -0.085241, 1.423548 ) 2.17509390
WF centre and spread 18 ( 4.328080, 0.133573, 1.365288 ) 2.19132870
Sum of centres and spreads ( 30.901500, 53.522968, 59.421002 ) 39.45722795
120 -0.181E-03 0.0375641064 39.4572279498 0.21 <-- CONV
O_D= 0.0054669 O_OD= 1.2589287 O_TOT= 39.4572279 <-- SPRD
Delta: O_D= 0.6580366E-05 O_OD= -0.1877306E-03 O_TOT= -0.1811502E-03 <-- DLTA
------------------------------------------------------------------------------
Cycle: 130
WF centre and spread 1 ( -1.235359, 5.756478, 5.124600 ) 2.20195420
WF centre and spread 2 ( -1.389726, 5.805590, 5.231089 ) 2.19217270
WF centre and spread 3 ( -1.144873, 5.717323, 5.190047 ) 2.17897216
WF centre and spread 4 ( 2.232694, 4.189378, 5.140740 ) 2.21470062
WF centre and spread 5 ( 2.066981, 4.085049, 5.204804 ) 2.18093289
WF centre and spread 6 ( 2.238765, 4.187996, 5.197944 ) 2.18300663
WF centre and spread 7 ( -0.930772, 2.013400, 5.128379 ) 2.20821243
WF centre and spread 8 ( -0.955115, 2.075567, 5.181858 ) 2.17589641
WF centre and spread 9 ( -0.895624, 1.846130, 5.235406 ) 2.19152785
WF centre and spread 10 ( 1.235358, 2.172851, 1.477733 ) 2.20195288
WF centre and spread 11 ( 1.389726, 2.123738, 1.371245 ) 2.19217171
WF centre and spread 12 ( 1.144873, 2.212005, 1.412286 ) 2.17897123
WF centre and spread 13 ( 4.634307, 3.739952, 1.461594 ) 2.21470006
WF centre and spread 14 ( 4.800019, 3.844280, 1.397530 ) 2.18093224
WF centre and spread 15 ( 4.628235, 3.741332, 1.404389 ) 2.18300608
WF centre and spread 16 ( 4.364272, -0.031068, 1.473955 ) 2.20821149
WF centre and spread 17 ( 4.388615, -0.093235, 1.420475 ) 2.17589574
WF centre and spread 18 ( 4.329124, 0.136202, 1.366928 ) 2.19152726
Sum of centres and spreads ( 30.901500, 53.522968, 59.421002 ) 39.45474456
130 -0.621E-03 0.0346411495 39.4547445592 0.23 <-- CONV
O_D= 0.0055204 O_OD= 1.2563918 O_TOT= 39.4547446 <-- SPRD
Delta: O_D= 0.2141137E-04 O_OD= -0.6423703E-03 O_TOT= -0.6209589E-03 <-- DLTA
------------------------------------------------------------------------------
Cycle: 140
WF centre and spread 1 ( -1.234937, 5.756465, 5.124804 ) 2.20116530
WF centre and spread 2 ( -1.390504, 5.805975, 5.231053 ) 2.19256068
WF centre and spread 3 ( -1.144691, 5.717125, 5.190026 ) 2.17918483
WF centre and spread 4 ( 2.233290, 4.189842, 5.140988 ) 2.21426794
WF centre and spread 5 ( 2.066804, 4.085064, 5.204868 ) 2.18108646
WF centre and spread 6 ( 2.238414, 4.187409, 5.197779 ) 2.18340161
WF centre and spread 7 ( -0.931250, 2.011301, 5.127724 ) 2.20669135
WF centre and spread 8 ( -0.953663, 2.079050, 5.183187 ) 2.17630579
WF centre and spread 9 ( -0.896304, 1.844666, 5.234773 ) 2.19171755
WF centre and spread 10 ( 1.234936, 2.172863, 1.477530 ) 2.20116443
WF centre and spread 11 ( 1.390504, 2.123353, 1.371280 ) 2.19255996
WF centre and spread 12 ( 1.144690, 2.212203, 1.412307 ) 2.17918420
WF centre and spread 13 ( 4.633711, 3.739488, 1.461346 ) 2.21426732
WF centre and spread 14 ( 4.800196, 3.844265, 1.397466 ) 2.18108581
WF centre and spread 15 ( 4.628585, 3.741919, 1.404554 ) 2.18340107
WF centre and spread 16 ( 4.364750, -0.028969, 1.474610 ) 2.20669044
WF centre and spread 17 ( 4.387163, -0.096718, 1.419147 ) 2.17630515
WF centre and spread 18 ( 4.329804, 0.137666, 1.367561 ) 2.19171696
Sum of centres and spreads ( 30.901500, 53.522968, 59.421002 ) 39.45275687
140 -0.338E-04 0.0141124303 39.4527568673 0.24 <-- CONV
O_D= 0.0055573 O_OD= 1.2543673 O_TOT= 39.4527569 <-- SPRD
Delta: O_D= 0.2831660E-05 O_OD= -0.3665849E-04 O_TOT= -0.3382683E-04 <-- DLTA
------------------------------------------------------------------------------
Cycle: 150
WF centre and spread 1 ( -1.234238, 5.756493, 5.125326 ) 2.20036220
WF centre and spread 2 ( -1.391704, 5.806479, 5.230756 ) 2.19267395
WF centre and spread 3 ( -1.144289, 5.716752, 5.190009 ) 2.17956436
WF centre and spread 4 ( 2.234379, 4.190737, 5.141676 ) 2.21427503
WF centre and spread 5 ( 2.066486, 4.085038, 5.204945 ) 2.18119202
WF centre and spread 6 ( 2.237631, 4.186417, 5.197153 ) 2.18346358
WF centre and spread 7 ( -0.932124, 2.008135, 5.126991 ) 2.20490338
WF centre and spread 8 ( -0.951333, 2.084554, 5.185250 ) 2.17710884
WF centre and spread 9 ( -0.897199, 1.842517, 5.233577 ) 2.19186585
WF centre and spread 10 ( 1.234238, 2.172836, 1.477007 ) 2.20036126
WF centre and spread 11 ( 1.391704, 2.122850, 1.371577 ) 2.19267324
WF centre and spread 12 ( 1.144289, 2.212577, 1.412324 ) 2.17956374
WF centre and spread 13 ( 4.632622, 3.738593, 1.460659 ) 2.21427446
WF centre and spread 14 ( 4.800514, 3.844291, 1.397389 ) 2.18119135
WF centre and spread 15 ( 4.629368, 3.742911, 1.405180 ) 2.18346305
WF centre and spread 16 ( 4.365625, -0.025803, 1.475343 ) 2.20490248
WF centre and spread 17 ( 4.384833, -0.102222, 1.417084 ) 2.17710820
WF centre and spread 18 ( 4.330699, 0.139815, 1.368756 ) 2.19186527
Sum of centres and spreads ( 30.901500, 53.522968, 59.421002 ) 39.45081228
150 -0.749E-04 0.0248727159 39.4508122791 0.26 <-- CONV
O_D= 0.0056045 O_OD= 1.2523755 O_TOT= 39.4508123 <-- SPRD
Delta: O_D= 0.4380076E-05 O_OD= -0.7923236E-04 O_TOT= -0.7485228E-04 <-- DLTA
------------------------------------------------------------------------------
Cycle: 160
WF centre and spread 1 ( -1.233672, 5.756601, 5.125910 ) 2.19969811
WF centre and spread 2 ( -1.392706, 5.806974, 5.230324 ) 2.19259792
WF centre and spread 3 ( -1.143882, 5.716299, 5.190038 ) 2.17993630
WF centre and spread 4 ( 2.235608, 4.191733, 5.142520 ) 2.21443806
WF centre and spread 5 ( 2.066141, 4.085026, 5.205038 ) 2.18127516
WF centre and spread 6 ( 2.236720, 4.185254, 5.196406 ) 2.18351251
WF centre and spread 7 ( -0.932940, 2.005828, 5.126660 ) 2.20356464
WF centre and spread 8 ( -0.949446, 2.088825, 5.186810 ) 2.17787918
WF centre and spread 9 ( -0.897920, 1.840711, 5.232537 ) 2.19190777
WF centre and spread 10 ( 1.233672, 2.172728, 1.476424 ) 2.19969619
WF centre and spread 11 ( 1.392706, 2.122354, 1.372009 ) 2.19259653
WF centre and spread 12 ( 1.143882, 2.213029, 1.412296 ) 2.17993499
WF centre and spread 13 ( 4.631394, 3.737597, 1.459814 ) 2.21443753
WF centre and spread 14 ( 4.800859, 3.844303, 1.397295 ) 2.18127446
WF centre and spread 15 ( 4.630279, 3.744074, 1.405927 ) 2.18351200
WF centre and spread 16 ( 4.366441, -0.023497, 1.475673 ) 2.20356371
WF centre and spread 17 ( 4.382946, -0.106493, 1.415524 ) 2.17787853
WF centre and spread 18 ( 4.331420, 0.141621, 1.369796 ) 2.19190718
Sum of centres and spreads ( 30.901500, 53.522968, 59.421002 ) 39.44961077
160 -0.239E-03 0.0225674135 39.4496107725 0.27 <-- CONV
O_D= 0.0056466 O_OD= 1.2511319 O_TOT= 39.4496108 <-- SPRD
Delta: O_D= 0.1381782E-04 O_OD= -0.2530353E-03 O_TOT= -0.2392175E-03 <-- DLTA
------------------------------------------------------------------------------
Cycle: 170
WF centre and spread 1 ( -1.233435, 5.756712, 5.126179 ) 2.19906306
WF centre and spread 2 ( -1.393293, 5.807113, 5.230210 ) 2.19306895
WF centre and spread 3 ( -1.143601, 5.716018, 5.190064 ) 2.18019949
WF centre and spread 4 ( 2.236451, 4.192453, 5.143008 ) 2.21427903
WF centre and spread 5 ( 2.065892, 4.085003, 5.205117 ) 2.18143164
WF centre and spread 6 ( 2.236101, 4.184660, 5.195787 ) 2.18313605
WF centre and spread 7 ( -0.933354, 2.004758, 5.126487 ) 2.20245095
WF centre and spread 8 ( -0.948560, 2.090860, 5.187514 ) 2.17832730
WF centre and spread 9 ( -0.898036, 1.839863, 5.232091 ) 2.19236637
WF centre and spread 10 ( 1.233434, 2.172616, 1.476154 ) 2.19906214
WF centre and spread 11 ( 1.393293, 2.122215, 1.372124 ) 2.19306828
WF centre and spread 12 ( 1.143600, 2.213310, 1.412270 ) 2.18019891
WF centre and spread 13 ( 4.630551, 3.736877, 1.459326 ) 2.21427848
WF centre and spread 14 ( 4.801108, 3.844326, 1.397217 ) 2.18143093
WF centre and spread 15 ( 4.630898, 3.744667, 1.406546 ) 2.18313556
WF centre and spread 16 ( 4.366854, -0.022426, 1.475846 ) 2.20245005
WF centre and spread 17 ( 4.382060, -0.108528, 1.414820 ) 2.17832668
WF centre and spread 18 ( 4.331536, 0.142469, 1.370242 ) 2.19236579
Sum of centres and spreads ( 30.901500, 53.522968, 59.421002 ) 39.44863966
170 -0.218E-04 0.0097373171 39.4486396543 0.30 <-- CONV
O_D= 0.0056774 O_OD= 1.2501299 O_TOT= 39.4486397 <-- SPRD
Delta: O_D= -0.5998126E-06 O_OD= -0.2116191E-04 O_TOT= -0.2176172E-04 <-- DLTA
------------------------------------------------------------------------------
Cycle: 180
WF centre and spread 1 ( -1.233105, 5.756938, 5.126704 ) 2.19827212
WF centre and spread 2 ( -1.394089, 5.807421, 5.229841 ) 2.19339221
WF centre and spread 3 ( -1.143157, 5.715498, 5.190138 ) 2.18059831
WF centre and spread 4 ( 2.237957, 4.193707, 5.144000 ) 2.21427455
WF centre and spread 5 ( 2.065469, 4.084976, 5.205242 ) 2.18162444
WF centre and spread 6 ( 2.234979, 4.183423, 5.194736 ) 2.18275415
WF centre and spread 7 ( -0.934000, 2.003474, 5.126482 ) 2.20117280
WF centre and spread 8 ( -0.947360, 2.093546, 5.188411 ) 2.17899642
WF centre and spread 9 ( -0.898267, 1.838594, 5.231383 ) 2.19273838
WF centre and spread 10 ( 1.233104, 2.172391, 1.475630 ) 2.19827124
WF centre and spread 11 ( 1.394089, 2.121908, 1.372493 ) 2.19339157
WF centre and spread 12 ( 1.143156, 2.213830, 1.412195 ) 2.18059776
WF centre and spread 13 ( 4.629045, 3.735623, 1.458335 ) 2.21427401
WF centre and spread 14 ( 4.801530, 3.844353, 1.397092 ) 2.18162371
WF centre and spread 15 ( 4.632021, 3.745905, 1.407596 ) 2.18275369
WF centre and spread 16 ( 4.367500, -0.021143, 1.475851 ) 2.20117190
WF centre and spread 17 ( 4.380860, -0.111214, 1.413922 ) 2.17899580
WF centre and spread 18 ( 4.331767, 0.143738, 1.370951 ) 2.19273779
Sum of centres and spreads ( 30.901500, 53.522968, 59.421002 ) 39.44764083
180 -0.478E-04 0.0193230143 39.4476408258 0.32 <-- CONV
O_D= 0.0057194 O_OD= 1.2490891 O_TOT= 39.4476408 <-- SPRD
Delta: O_D= 0.3154600E-05 O_OD= -0.5100421E-04 O_TOT= -0.4784961E-04 <-- DLTA
------------------------------------------------------------------------------
Cycle: 190
WF centre and spread 1 ( -1.232860, 5.757224, 5.127280 ) 2.19768978
WF centre and spread 2 ( -1.394757, 5.807674, 5.229367 ) 2.19346114
WF centre and spread 3 ( -1.142674, 5.714930, 5.190237 ) 2.18098924
WF centre and spread 4 ( 2.239687, 4.195160, 5.145235 ) 2.21448922
WF centre and spread 5 ( 2.064989, 4.084919, 5.205359 ) 2.18178614
WF centre and spread 6 ( 2.233665, 4.181982, 5.193471 ) 2.18223131
WF centre and spread 7 ( -0.934601, 2.002603, 5.126711 ) 2.20032938
WF centre and spread 8 ( -0.946435, 2.095654, 5.189060 ) 2.17959691
WF centre and spread 9 ( -0.898356, 1.837532, 5.230701 ) 2.19290718
WF centre and spread 10 ( 1.232859, 2.172105, 1.475054 ) 2.19768875
WF centre and spread 11 ( 1.394757, 2.121654, 1.372966 ) 2.19346039
WF centre and spread 12 ( 1.142674, 2.214398, 1.412096 ) 2.18098860
WF centre and spread 13 ( 4.627316, 3.734171, 1.457100 ) 2.21448873
WF centre and spread 14 ( 4.802010, 3.844410, 1.396974 ) 2.18178537
WF centre and spread 15 ( 4.633334, 3.747346, 1.408861 ) 2.18223089
WF centre and spread 16 ( 4.368101, -0.020272, 1.475622 ) 2.20032845
WF centre and spread 17 ( 4.379935, -0.113322, 1.413273 ) 2.17959630
WF centre and spread 18 ( 4.331856, 0.144800, 1.371632 ) 2.19290660
Sum of centres and spreads ( 30.901500, 53.522968, 59.421002 ) 39.44695437
190 -0.180E-03 0.0186942975 39.4469543681 0.34 <-- CONV
O_D= 0.0057525 O_OD= 1.2483696 O_TOT= 39.4469544 <-- SPRD
Delta: O_D= 0.1284831E-04 O_OD= -0.1932872E-03 O_TOT= -0.1804389E-03 <-- DLTA
------------------------------------------------------------------------------
Cycle: 200
WF centre and spread 1 ( -1.232786, 5.757396, 5.127515 ) 2.19709581
WF centre and spread 2 ( -1.395141, 5.807913, 5.229163 ) 2.19375656
WF centre and spread 3 ( -1.142446, 5.714590, 5.190300 ) 2.18120358
WF centre and spread 4 ( 2.240740, 4.196031, 5.145891 ) 2.21423072
WF centre and spread 5 ( 2.064693, 4.084920, 5.205444 ) 2.18195707
WF centre and spread 6 ( 2.232940, 4.181049, 5.192861 ) 2.18233831
WF centre and spread 7 ( -0.934875, 2.002252, 5.126779 ) 2.19950868
WF centre and spread 8 ( -0.946019, 2.096536, 5.189320 ) 2.17991538
WF centre and spread 9 ( -0.898495, 1.836889, 5.230471 ) 2.19315123
WF centre and spread 10 ( 1.232786, 2.171932, 1.474819 ) 2.19709494
WF centre and spread 11 ( 1.395140, 2.121415, 1.373170 ) 2.19375593
WF centre and spread 12 ( 1.142446, 2.214738, 1.412033 ) 2.18120304
WF centre and spread 13 ( 4.626262, 3.733300, 1.456444 ) 2.21423023
WF centre and spread 14 ( 4.802307, 3.844409, 1.396890 ) 2.18195629
WF centre and spread 15 ( 4.634059, 3.748278, 1.409471 ) 2.18233791
WF centre and spread 16 ( 4.368375, -0.019920, 1.475555 ) 2.19950777
WF centre and spread 17 ( 4.379520, -0.114204, 1.413013 ) 2.17991478
WF centre and spread 18 ( 4.331995, 0.145443, 1.371863 ) 2.19315065
Sum of centres and spreads ( 30.901500, 53.522968, 59.421002 ) 39.44630888
200 -0.119E-04 0.0083300498 39.4463088790 0.35 <-- CONV
O_D= 0.0057760 O_OD= 1.2477006 O_TOT= 39.4463089 <-- SPRD
Delta: O_D= 0.1343352E-05 O_OD= -0.1319780E-04 O_TOT= -0.1185445E-04 <-- DLTA
------------------------------------------------------------------------------
Writing checkpoint file wann.chk... done
Cycle: 210
WF centre and spread 1 ( -1.232684, 5.757748, 5.128035 ) 2.19637116
WF centre and spread 2 ( -1.395713, 5.808237, 5.228667 ) 2.19389898
WF centre and spread 3 ( -1.141984, 5.713958, 5.190426 ) 2.18158541
WF centre and spread 4 ( 2.242858, 4.197806, 5.147383 ) 2.21416813
WF centre and spread 5 ( 2.064113, 4.084867, 5.205571 ) 2.18220577
WF centre and spread 6 ( 2.231405, 4.179213, 5.191455 ) 2.18214585
WF centre and spread 7 ( -0.935379, 2.001756, 5.127105 ) 2.19859997
WF centre and spread 8 ( -0.945371, 2.097978, 5.189711 ) 2.18043810
WF centre and spread 9 ( -0.898608, 1.835926, 5.229948 ) 2.19333818
WF centre and spread 10 ( 1.232683, 2.171580, 1.474299 ) 2.19637027
WF centre and spread 11 ( 1.395713, 2.121092, 1.373666 ) 2.19389834
WF centre and spread 12 ( 1.141984, 2.215371, 1.411908 ) 2.18158486
WF centre and spread 13 ( 4.624144, 3.731525, 1.454952 ) 2.21416767
WF centre and spread 14 ( 4.802886, 3.844461, 1.396763 ) 2.18220495
WF centre and spread 15 ( 4.635594, 3.750114, 1.410877 ) 2.18214547
WF centre and spread 16 ( 4.368879, -0.019424, 1.475229 ) 2.19859906
WF centre and spread 17 ( 4.378871, -0.115646, 1.412623 ) 2.18043749
WF centre and spread 18 ( 4.332108, 0.146406, 1.372385 ) 2.19333759
Sum of centres and spreads ( 30.901500, 53.522968, 59.421002 ) 39.44549723
210 -0.363E-04 0.0172857143 39.4454972309 0.37 <-- CONV
O_D= 0.0058085 O_OD= 1.2468564 O_TOT= 39.4454972 <-- SPRD
Delta: O_D= 0.2721864E-05 O_OD= -0.3897254E-04 O_TOT= -0.3625068E-04 <-- DLTA
------------------------------------------------------------------------------
Cycle: 220
WF centre and spread 1 ( -1.232636, 5.758136, 5.128595 ) 2.19577126
WF centre and spread 2 ( -1.396167, 5.808571, 5.228081 ) 2.19382873
WF centre and spread 3 ( -1.141535, 5.713294, 5.190570 ) 2.18195609
WF centre and spread 4 ( 2.245282, 4.199834, 5.149188 ) 2.21418641
WF centre and spread 5 ( 2.063482, 4.084800, 5.205685 ) 2.18246862
WF centre and spread 6 ( 2.229630, 4.177078, 5.189837 ) 2.18196621
WF centre and spread 7 ( -0.935861, 2.001396, 5.127564 ) 2.19796029
WF centre and spread 8 ( -0.944813, 2.099180, 5.190015 ) 2.18090780
WF centre and spread 9 ( -0.898742, 1.835081, 5.229405 ) 2.19337625
WF centre and spread 10 ( 1.232635, 2.171193, 1.473738 ) 2.19576966
WF centre and spread 11 ( 1.396166, 2.120758, 1.374253 ) 2.19382759
WF centre and spread 12 ( 1.141534, 2.216034, 1.411763 ) 2.18195510
WF centre and spread 13 ( 4.621721, 3.729497, 1.453147 ) 2.21418601
WF centre and spread 14 ( 4.803517, 3.844529, 1.396649 ) 2.18246775
WF centre and spread 15 ( 4.637369, 3.752249, 1.412495 ) 2.18196584
WF centre and spread 16 ( 4.369361, -0.019064, 1.474770 ) 2.19795934
WF centre and spread 17 ( 4.378313, -0.116848, 1.412319 ) 2.18090718
WF centre and spread 18 ( 4.332242, 0.147251, 1.372929 ) 2.19337565
Sum of centres and spreads ( 30.901500, 53.522968, 59.421002 ) 39.44483579
220 -0.147E-03 0.0174065294 39.4448357833 0.39 <-- CONV
O_D= 0.0058387 O_OD= 1.2461648 O_TOT= 39.4448358 <-- SPRD
Delta: O_D= 0.9964769E-05 O_OD= -0.1568161E-03 O_TOT= -0.1468513E-03 <-- DLTA
------------------------------------------------------------------------------
Cycle: 230
WF centre and spread 1 ( -1.232661, 5.758386, 5.128857 ) 2.19521833
WF centre and spread 2 ( -1.396446, 5.808634, 5.227881 ) 2.19426991
WF centre and spread 3 ( -1.141248, 5.712918, 5.190652 ) 2.18219974
WF centre and spread 4 ( 2.246877, 4.201211, 5.150334 ) 2.21398966
WF centre and spread 5 ( 2.063074, 4.084727, 5.205745 ) 2.18270854
WF centre and spread 6 ( 2.228471, 4.175835, 5.188682 ) 2.18154522
WF centre and spread 7 ( -0.936101, 2.001173, 5.127756 ) 2.19720698
WF centre and spread 8 ( -0.944542, 2.099811, 5.190163 ) 2.18120451
WF centre and spread 9 ( -0.898641, 1.834698, 5.229139 ) 2.19373780
WF centre and spread 10 ( 1.232661, 2.170943, 1.473476 ) 2.19521743
WF centre and spread 11 ( 1.396446, 2.120694, 1.374452 ) 2.19426927
WF centre and spread 12 ( 1.141248, 2.216411, 1.411682 ) 2.18219919
WF centre and spread 13 ( 4.620126, 3.728120, 1.452001 ) 2.21398927
WF centre and spread 14 ( 4.803925, 3.844602, 1.396588 ) 2.18270765
WF centre and spread 15 ( 4.638528, 3.753491, 1.413649 ) 2.18154490
WF centre and spread 16 ( 4.369601, -0.018841, 1.474577 ) 2.19720607
WF centre and spread 17 ( 4.378042, -0.117479, 1.412171 ) 2.18120391
WF centre and spread 18 ( 4.332141, 0.147634, 1.373195 ) 2.19373721
Sum of centres and spreads ( 30.901500, 53.522968, 59.421002 ) 39.44415560
230 -0.165E-04 0.0084503638 39.4441555992 0.41 <-- CONV
O_D= 0.0058630 O_OD= 1.2454603 O_TOT= 39.4441556 <-- SPRD
Delta: O_D= -0.5391234E-06 O_OD= -0.1597550E-04 O_TOT= -0.1651463E-04 <-- DLTA
------------------------------------------------------------------------------
Cycle: 240
WF centre and spread 1 ( -1.232718, 5.758807, 5.129351 ) 2.19452257
WF centre and spread 2 ( -1.396790, 5.808801, 5.227417 ) 2.19458375
WF centre and spread 3 ( -1.140808, 5.712281, 5.190799 ) 2.18257315
WF centre and spread 4 ( 2.249731, 4.203661, 5.152531 ) 2.21381287
WF centre and spread 5 ( 2.062385, 4.084596, 5.205812 ) 2.18309071
WF centre and spread 6 ( 2.226374, 4.173497, 5.186645 ) 2.18099171
WF centre and spread 7 ( -0.936501, 2.000862, 5.128201 ) 2.19637811
WF centre and spread 8 ( -0.944112, 2.100751, 5.190380 ) 2.18163774
WF centre and spread 9 ( -0.898594, 1.834121, 5.228640 ) 2.19404711
WF centre and spread 10 ( 1.232718, 2.170522, 1.472983 ) 2.19452169
WF centre and spread 11 ( 1.396790, 2.120528, 1.374917 ) 2.19458312
WF centre and spread 12 ( 1.140808, 2.217047, 1.411534 ) 2.18257261
WF centre and spread 13 ( 4.617272, 3.725670, 1.449804 ) 2.21381255
WF centre and spread 14 ( 4.804614, 3.844733, 1.396521 ) 2.18308978
WF centre and spread 15 ( 4.640624, 3.755829, 1.415687 ) 2.18099141
WF centre and spread 16 ( 4.370001, -0.018530, 1.474132 ) 2.19637721
WF centre and spread 17 ( 4.377612, -0.118419, 1.411954 ) 2.18163714
WF centre and spread 18 ( 4.332094, 0.148211, 1.373693 ) 2.19404652
Sum of centres and spreads ( 30.901500, 53.522968, 59.421002 ) 39.44326975
240 -0.468E-04 0.0191180446 39.4432697458 0.43 <-- CONV
O_D= 0.0058983 O_OD= 1.2445391 O_TOT= 39.4432697 <-- SPRD
Delta: O_D= 0.2934129E-05 O_OD= -0.4969347E-04 O_TOT= -0.4675934E-04 <-- DLTA
------------------------------------------------------------------------------
Cycle: 250
WF centre and spread 1 ( -1.232770, 5.759071, 5.129656 ) 2.19415768
WF centre and spread 2 ( -1.396966, 5.808899, 5.227108 ) 2.19467897
WF centre and spread 3 ( -1.140543, 5.711894, 5.190890 ) 2.18279013
WF centre and spread 4 ( 2.251631, 4.205304, 5.154058 ) 2.21370838
WF centre and spread 5 ( 2.061945, 4.084491, 5.205823 ) 2.18333166
WF centre and spread 6 ( 2.224979, 4.171931, 5.185281 ) 2.18066603
WF centre and spread 7 ( -0.936738, 2.000683, 5.128498 ) 2.19597422
WF centre and spread 8 ( -0.943867, 2.101283, 5.190499 ) 2.18188424
WF centre and spread 9 ( -0.898580, 1.833807, 5.228324 ) 2.19416150
WF centre and spread 10 ( 1.232770, 2.170258, 1.472678 ) 2.19415678
WF centre and spread 11 ( 1.396966, 2.120429, 1.375225 ) 2.19467832
WF centre and spread 12 ( 1.140542, 2.217435, 1.411443 ) 2.18278957
WF centre and spread 13 ( 4.615372, 3.724028, 1.448277 ) 2.21370811
WF centre and spread 14 ( 4.805054, 3.844838, 1.396510 ) 2.18333070
WF centre and spread 15 ( 4.642020, 3.757395, 1.417050 ) 2.18066575
WF centre and spread 16 ( 4.370238, -0.018351, 1.473835 ) 2.19597330
WF centre and spread 17 ( 4.377368, -0.118951, 1.411835 ) 2.18188364
WF centre and spread 18 ( 4.332080, 0.148525, 1.374009 ) 2.19416092
Sum of centres and spreads ( 30.901500, 53.522968, 59.421002 ) 39.44269989
250 -0.394E-04 0.0196050506 39.4426998905 0.45 <-- CONV
O_D= 0.0059177 O_OD= 1.2439499 O_TOT= 39.4426999 <-- SPRD
Delta: O_D= 0.1676399E-05 O_OD= -0.4108507E-04 O_TOT= -0.3940867E-04 <-- DLTA
------------------------------------------------------------------------------
Cycle: 260
WF centre and spread 1 ( -1.232794, 5.759177, 5.129769 ) 2.19397950
WF centre and spread 2 ( -1.397059, 5.809016, 5.226953 ) 2.19465120
WF centre and spread 3 ( -1.140446, 5.711723, 5.190928 ) 2.18287298
WF centre and spread 4 ( 2.252457, 4.206008, 5.154719 ) 2.21359041
WF centre and spread 5 ( 2.061753, 4.084456, 5.205823 ) 2.18343676
WF centre and spread 6 ( 2.224397, 4.171197, 5.184759 ) 2.18075789
WF centre and spread 7 ( -0.936838, 2.000616, 5.128607 ) 2.19579403
WF centre and spread 8 ( -0.943760, 2.101489, 5.190543 ) 2.18198256
WF centre and spread 9 ( -0.898665, 1.833607, 5.228224 ) 2.19416317
WF centre and spread 10 ( 1.232794, 2.170151, 1.472564 ) 2.19397863
WF centre and spread 11 ( 1.397059, 2.120313, 1.375380 ) 2.19465057
WF centre and spread 12 ( 1.140446, 2.217606, 1.411406 ) 2.18287243
WF centre and spread 13 ( 4.614547, 3.723324, 1.447617 ) 2.21359016
WF centre and spread 14 ( 4.805246, 3.844873, 1.396511 ) 2.18343579
WF centre and spread 15 ( 4.642601, 3.758129, 1.417572 ) 2.18075761
WF centre and spread 16 ( 4.370338, -0.018285, 1.473726 ) 2.19579312
WF centre and spread 17 ( 4.377260, -0.119157, 1.411791 ) 2.18198197
WF centre and spread 18 ( 4.332166, 0.148725, 1.374110 ) 2.19416258
Sum of centres and spreads ( 30.901500, 53.522968, 59.421002 ) 39.44245136
260 -0.205E-04 0.0107936091 39.4424513530 0.48 <-- CONV
O_D= 0.0059242 O_OD= 1.2436948 O_TOT= 39.4424514 <-- SPRD
Delta: O_D= -0.1061211E-05 O_OD= -0.1946739E-04 O_TOT= -0.2052861E-04 <-- DLTA
------------------------------------------------------------------------------
Cycle: 270
WF centre and spread 1 ( -1.234373, 5.762774, 5.133436 ) 2.18944188
WF centre and spread 2 ( -1.397889, 5.809726, 5.223079 ) 2.19632894
WF centre and spread 3 ( -1.137586, 5.707114, 5.192039 ) 2.18542648
WF centre and spread 4 ( 2.276498, 4.227957, 5.178335 ) 2.20954316
WF centre and spread 5 ( 2.057627, 4.082651, 5.204187 ) 2.18729978
WF centre and spread 6 ( 2.206988, 4.151581, 5.165365 ) 2.17752888
WF centre and spread 7 ( -0.939485, 1.997517, 5.132413 ) 2.19061496
WF centre and spread 8 ( -0.940908, 2.107040, 5.191784 ) 2.18486051
WF centre and spread 9 ( -0.898765, 1.831625, 5.224175 ) 2.19590490
WF centre and spread 10 ( 1.234373, 2.166555, 1.468898 ) 2.18944052
WF centre and spread 11 ( 1.397889, 2.119603, 1.379254 ) 2.19632844
WF centre and spread 12 ( 1.137585, 2.222214, 1.410295 ) 2.18542595
WF centre and spread 13 ( 4.590506, 3.701376, 1.424004 ) 2.20954359
WF centre and spread 14 ( 4.809373, 3.846677, 1.398146 ) 2.18729838
WF centre and spread 15 ( 4.660010, 3.777744, 1.436965 ) 2.17752851
WF centre and spread 16 ( 4.372985, -0.015186, 1.469921 ) 2.19061412
WF centre and spread 17 ( 4.374409, -0.124708, 1.410550 ) 2.18485993
WF centre and spread 18 ( 4.332265, 0.150707, 1.378159 ) 2.19590426
Sum of centres and spreads ( 30.901501, 53.522968, 59.421002 ) 39.43389318
270 -0.285E-03 0.0499905355 39.4338931791 0.49 <-- CONV
O_D= 0.0061546 O_OD= 1.2349063 O_TOT= 39.4338932 <-- SPRD
Delta: O_D= 0.3759085E-05 O_OD= -0.2892017E-03 O_TOT= -0.2854426E-03 <-- DLTA
------------------------------------------------------------------------------
Cycle: 280
WF centre and spread 1 ( -1.234480, 5.762961, 5.133600 ) 2.18925794
WF centre and spread 2 ( -1.397890, 5.809761, 5.222869 ) 2.19640003
WF centre and spread 3 ( -1.137444, 5.706862, 5.192119 ) 2.18552740
WF centre and spread 4 ( 2.278092, 4.229650, 5.180508 ) 2.20900764
WF centre and spread 5 ( 2.057878, 4.082311, 5.203573 ) 2.18754617
WF centre and spread 6 ( 2.205518, 4.150354, 5.164014 ) 2.17755091
WF centre and spread 7 ( -0.939599, 1.997339, 5.132607 ) 2.19039611
WF centre and spread 8 ( -0.940753, 2.107308, 5.191866 ) 2.18497722
WF centre and spread 9 ( -0.898797, 1.831583, 5.223929 ) 2.19595168
WF centre and spread 10 ( 1.234480, 2.166368, 1.468734 ) 2.18925686
WF centre and spread 11 ( 1.397890, 2.119568, 1.379464 ) 2.19639948
WF centre and spread 12 ( 1.137444, 2.222466, 1.410215 ) 2.18552686
WF centre and spread 13 ( 4.588912, 3.699682, 1.421830 ) 2.20900822
WF centre and spread 14 ( 4.809122, 3.847018, 1.398760 ) 2.18754483
WF centre and spread 15 ( 4.661480, 3.778972, 1.438316 ) 2.17755041
WF centre and spread 16 ( 4.373099, -0.015008, 1.469726 ) 2.19039525
WF centre and spread 17 ( 4.374253, -0.124976, 1.410468 ) 2.18497665
WF centre and spread 18 ( 4.332297, 0.150749, 1.378404 ) 2.19595108
Sum of centres and spreads ( 30.901501, 53.522968, 59.421002 ) 39.43322472
280 -0.129E-03 0.0376786556 39.4332247169 0.52 <-- CONV
O_D= 0.0061648 O_OD= 1.2342276 O_TOT= 39.4332247 <-- SPRD
Delta: O_D= 0.3626600E-05 O_OD= -0.1322727E-03 O_TOT= -0.1286461E-03 <-- DLTA
------------------------------------------------------------------------------
Cycle: 290
WF centre and spread 1 ( -1.234583, 5.763134, 5.133751 ) 2.18907858
WF centre and spread 2 ( -1.397887, 5.809792, 5.222678 ) 2.19646972
WF centre and spread 3 ( -1.137319, 5.706638, 5.192187 ) 2.18562438
WF centre and spread 4 ( 2.279551, 4.231208, 5.182548 ) 2.20847159
WF centre and spread 5 ( 2.058115, 4.082027, 5.203028 ) 2.18779865
WF centre and spread 6 ( 2.204174, 4.149203, 5.162705 ) 2.17756484
WF centre and spread 7 ( -0.939706, 1.997168, 5.132786 ) 2.19018619
WF centre and spread 8 ( -0.940612, 2.107549, 5.191935 ) 2.18508450
WF centre and spread 9 ( -0.898827, 1.831545, 5.223715 ) 2.19602576
WF centre and spread 10 ( 1.234582, 2.166194, 1.468583 ) 2.18907756
WF centre and spread 11 ( 1.397887, 2.119537, 1.379656 ) 2.19646916
WF centre and spread 12 ( 1.137319, 2.222691, 1.410146 ) 2.18562383
WF centre and spread 13 ( 4.587453, 3.698125, 1.419790 ) 2.20847222
WF centre and spread 14 ( 4.808885, 3.847302, 1.399305 ) 2.18779735
WF centre and spread 15 ( 4.662823, 3.780123, 1.439626 ) 2.17756425
WF centre and spread 16 ( 4.373206, -0.014836, 1.469547 ) 2.19018533
WF centre and spread 17 ( 4.374113, -0.125217, 1.410399 ) 2.18508394
WF centre and spread 18 ( 4.332327, 0.150787, 1.378618 ) 2.19602517
Sum of centres and spreads ( 30.901501, 53.522968, 59.421002 ) 39.43260304
290 -0.112E-03 0.0341115539 39.4326030352 0.54 <-- CONV
O_D= 0.0061752 O_OD= 1.2335955 O_TOT= 39.4326030 <-- SPRD
Delta: O_D= 0.3244079E-05 O_OD= -0.1151040E-03 O_TOT= -0.1118599E-03 <-- DLTA
------------------------------------------------------------------------------
Cycle: 300
WF centre and spread 1 ( -1.234678, 5.763294, 5.133891 ) 2.18891052
WF centre and spread 2 ( -1.397880, 5.809817, 5.222504 ) 2.19653513
WF centre and spread 3 ( -1.137207, 5.706437, 5.192246 ) 2.18571568
WF centre and spread 4 ( 2.280864, 4.232621, 5.184439 ) 2.20796244
WF centre and spread 5 ( 2.058346, 4.081786, 5.202538 ) 2.18803716
WF centre and spread 6 ( 2.202961, 4.148150, 5.161466 ) 2.17757908
WF centre and spread 7 ( -0.939805, 1.997006, 5.132952 ) 2.18999035
WF centre and spread 8 ( -0.940485, 2.107768, 5.191995 ) 2.18518360
WF centre and spread 9 ( -0.898854, 1.831515, 5.223523 ) 2.19610459
WF centre and spread 10 ( 1.234678, 2.166035, 1.468443 ) 2.18890956
WF centre and spread 11 ( 1.397880, 2.119511, 1.379829 ) 2.19653455
WF centre and spread 12 ( 1.137207, 2.222892, 1.410087 ) 2.18571513
WF centre and spread 13 ( 4.586140, 3.696711, 1.417899 ) 2.20796311
WF centre and spread 14 ( 4.808655, 3.847542, 1.399794 ) 2.18803590
WF centre and spread 15 ( 4.664037, 3.781176, 1.440865 ) 2.17757841
WF centre and spread 16 ( 4.373305, -0.014675, 1.469382 ) 2.18998949
WF centre and spread 17 ( 4.373986, -0.125435, 1.410339 ) 2.18518304
WF centre and spread 18 ( 4.332354, 0.150817, 1.378810 ) 2.19610401
Sum of centres and spreads ( 30.901501, 53.522968, 59.421002 ) 39.43203175
300 -0.967E-04 0.0310764446 39.4320317497 0.56 <-- CONV
O_D= 0.0061844 O_OD= 1.2330150 O_TOT= 39.4320317 <-- SPRD
Delta: O_D= 0.2235076E-05 O_OD= -0.9895880E-04 O_TOT= -0.9672373E-04 <-- DLTA
------------------------------------------------------------------------------
Writing checkpoint file wann.chk... done
Cycle: 310
WF centre and spread 1 ( -1.234768, 5.763442, 5.134022 ) 2.18875310
WF centre and spread 2 ( -1.397871, 5.809838, 5.222343 ) 2.19659629
WF centre and spread 3 ( -1.137106, 5.706254, 5.192299 ) 2.18580250
WF centre and spread 4 ( 2.282050, 4.233912, 5.186201 ) 2.20747836
WF centre and spread 5 ( 2.058577, 4.081577, 5.202090 ) 2.18826143
WF centre and spread 6 ( 2.201853, 4.147186, 5.160295 ) 2.17759925
WF centre and spread 7 ( -0.939898, 1.996852, 5.133107 ) 2.18980607
WF centre and spread 8 ( -0.940368, 2.107969, 5.192049 ) 2.18527737
WF centre and spread 9 ( -0.898878, 1.831493, 5.223346 ) 2.19618095
WF centre and spread 10 ( 1.234768, 2.165887, 1.468311 ) 2.18875220
WF centre and spread 11 ( 1.397871, 2.119490, 1.379990 ) 2.19659570
WF centre and spread 12 ( 1.137106, 2.223075, 1.410035 ) 2.18580195
WF centre and spread 13 ( 4.584953, 3.695421, 1.416137 ) 2.20747905
WF centre and spread 14 ( 4.808423, 3.847752, 1.400243 ) 2.18826021
WF centre and spread 15 ( 4.665145, 3.782141, 1.442035 ) 2.17759851
WF centre and spread 16 ( 4.373398, -0.014521, 1.469227 ) 2.18980520
WF centre and spread 17 ( 4.373869, -0.125637, 1.410285 ) 2.18527680
WF centre and spread 18 ( 4.332378, 0.150839, 1.378987 ) 2.19618038
Sum of centres and spreads ( 30.901501, 53.522968, 59.421002 ) 39.43150535
310 -0.866E-04 0.0296851336 39.4315053435 0.57 <-- CONV
O_D= 0.0061922 O_OD= 1.2324808 O_TOT= 39.4315053 <-- SPRD
Delta: O_D= 0.1137007E-05 O_OD= -0.8774235E-04 O_TOT= -0.8660534E-04 <-- DLTA
------------------------------------------------------------------------------
Cycle: 320
WF centre and spread 1 ( -1.234855, 5.763584, 5.134149 ) 2.18860349
WF centre and spread 2 ( -1.397859, 5.809856, 5.222191 ) 2.19665261
WF centre and spread 3 ( -1.137011, 5.706082, 5.192348 ) 2.18588730
WF centre and spread 4 ( 2.283143, 4.235115, 5.187879 ) 2.20701126
WF centre and spread 5 ( 2.058817, 4.081388, 5.201665 ) 2.18847357
WF centre and spread 6 ( 2.200817, 4.146287, 5.159171 ) 2.17763155
WF centre and spread 7 ( -0.939986, 1.996703, 5.133255 ) 2.18963043
WF centre and spread 8 ( -0.940257, 2.108160, 5.192100 ) 2.18536876
WF centre and spread 9 ( -0.898900, 1.831476, 5.223177 ) 2.19625024
WF centre and spread 10 ( 1.234854, 2.165745, 1.468185 ) 2.18860263
WF centre and spread 11 ( 1.397859, 2.119473, 1.380142 ) 2.19665201
WF centre and spread 12 ( 1.137011, 2.223247, 1.409986 ) 2.18588675
WF centre and spread 13 ( 4.583860, 3.694217, 1.414458 ) 2.20701195
WF centre and spread 14 ( 4.808183, 3.847940, 1.400667 ) 2.18847239
WF centre and spread 15 ( 4.666181, 3.783040, 1.443160 ) 2.17763075
WF centre and spread 16 ( 4.373486, -0.014371, 1.469078 ) 2.18962957
WF centre and spread 17 ( 4.373757, -0.125828, 1.410234 ) 2.18536819
WF centre and spread 18 ( 4.332400, 0.150856, 1.379156 ) 2.19624967
Sum of centres and spreads ( 30.901501, 53.522968, 59.421002 ) 39.43101311
320 -0.805E-04 0.0288969048 39.4310131108 0.59 <-- CONV
O_D= 0.0061993 O_OD= 1.2319815 O_TOT= 39.4310131 <-- SPRD
Delta: O_D= 0.7963253E-06 O_OD= -0.8133255E-04 O_TOT= -0.8053623E-04 <-- DLTA
------------------------------------------------------------------------------
Cycle: 330
WF centre and spread 1 ( -1.234939, 5.763721, 5.134272 ) 2.18846069
WF centre and spread 2 ( -1.397845, 5.809870, 5.222043 ) 2.19670417
WF centre and spread 3 ( -1.136920, 5.705917, 5.192393 ) 2.18596988
WF centre and spread 4 ( 2.284157, 4.236245, 5.189490 ) 2.20655891
WF centre and spread 5 ( 2.059069, 4.081215, 5.201257 ) 2.18867270
WF centre and spread 6 ( 2.199839, 4.145443, 5.158087 ) 2.17767881
WF centre and spread 7 ( -0.940072, 1.996555, 5.133399 ) 2.18946228
WF centre and spread 8 ( -0.940149, 2.108344, 5.192148 ) 2.18545847
WF centre and spread 9 ( -0.898922, 1.831464, 5.223013 ) 2.19631192
WF centre and spread 10 ( 1.234939, 2.165608, 1.468062 ) 2.18845986
WF centre and spread 11 ( 1.397845, 2.119458, 1.380290 ) 2.19670357
WF centre and spread 12 ( 1.136920, 2.223411, 1.409940 ) 2.18596933
WF centre and spread 13 ( 4.582846, 3.693087, 1.412847 ) 2.20655959
WF centre and spread 14 ( 4.807931, 3.848113, 1.401075 ) 2.18867157
WF centre and spread 15 ( 4.667159, 3.783883, 1.444244 ) 2.17767794
WF centre and spread 16 ( 4.373572, -0.014224, 1.468934 ) 2.18946142
WF centre and spread 17 ( 4.373649, -0.126012, 1.410185 ) 2.18545791
WF centre and spread 18 ( 4.332422, 0.150868, 1.379321 ) 2.19631135
Sum of centres and spreads ( 30.901501, 53.522968, 59.421002 ) 39.43055038
330 -0.755E-04 0.0280571439 39.4305503780 0.61 <-- CONV
O_D= 0.0062059 O_OD= 1.2315121 O_TOT= 39.4305504 <-- SPRD
Delta: O_D= 0.7542770E-06 O_OD= -0.7621652E-04 O_TOT= -0.7546224E-04 <-- DLTA
------------------------------------------------------------------------------
Cycle: 340
WF centre and spread 1 ( -1.235022, 5.763854, 5.134392 ) 2.18832366
WF centre and spread 2 ( -1.397829, 5.809883, 5.221899 ) 2.19675226
WF centre and spread 3 ( -1.136834, 5.705759, 5.192437 ) 2.18604974
WF centre and spread 4 ( 2.285097, 4.237308, 5.191038 ) 2.20612054
WF centre and spread 5 ( 2.059334, 4.081056, 5.200863 ) 2.18885845
WF centre and spread 6 ( 2.198911, 4.144652, 5.157041 ) 2.17774052
WF centre and spread 7 ( -0.940156, 1.996410, 5.133540 ) 2.18930029
WF centre and spread 8 ( -0.940044, 2.108522, 5.192195 ) 2.18554636
WF centre and spread 9 ( -0.898943, 1.831457, 5.222852 ) 2.19636854
WF centre and spread 10 ( 1.235021, 2.165475, 1.467941 ) 2.18832286
WF centre and spread 11 ( 1.397829, 2.119446, 1.380434 ) 2.19675165
WF centre and spread 12 ( 1.136833, 2.223569, 1.409896 ) 2.18604919
WF centre and spread 13 ( 4.581905, 3.692023, 1.411299 ) 2.20612119
WF centre and spread 14 ( 4.807666, 3.848273, 1.401469 ) 2.18885737
WF centre and spread 15 ( 4.668087, 3.784675, 1.445289 ) 2.17773960
WF centre and spread 16 ( 4.373656, -0.014079, 1.468794 ) 2.18929942
WF centre and spread 17 ( 4.373544, -0.126190, 1.410139 ) 2.18554579
WF centre and spread 18 ( 4.332443, 0.150875, 1.379482 ) 2.19636797
Sum of centres and spreads ( 30.901501, 53.522968, 59.421002 ) 39.43011540
340 -0.707E-04 0.0271596823 39.4301153953 0.62 <-- CONV
O_D= 0.0062120 O_OD= 1.2310711 O_TOT= 39.4301154 <-- SPRD
Delta: O_D= 0.7674246E-06 O_OD= -0.7143977E-04 O_TOT= -0.7067234E-04 <-- DLTA
------------------------------------------------------------------------------
Cycle: 350
WF centre and spread 1 ( -1.235103, 5.763983, 5.134511 ) 2.18819156
WF centre and spread 2 ( -1.397811, 5.809894, 5.221759 ) 2.19679789
WF centre and spread 3 ( -1.136750, 5.705607, 5.192479 ) 2.18612686
WF centre and spread 4 ( 2.285968, 4.238307, 5.192523 ) 2.20569618
WF centre and spread 5 ( 2.059612, 4.080908, 5.200482 ) 2.18903081
WF centre and spread 6 ( 2.198032, 4.143912, 5.156036 ) 2.17781538
WF centre and spread 7 ( -0.940238, 1.996267, 5.133678 ) 2.18914349
WF centre and spread 8 ( -0.939942, 2.108694, 5.192240 ) 2.18563221
WF centre and spread 9 ( -0.898963, 1.831453, 5.222694 ) 2.19642224
WF centre and spread 10 ( 1.235103, 2.165346, 1.467823 ) 2.18819077
WF centre and spread 11 ( 1.397811, 2.119434, 1.380574 ) 2.19679728
WF centre and spread 12 ( 1.136750, 2.223721, 1.409854 ) 2.18612631
WF centre and spread 13 ( 4.581034, 3.691024, 1.409814 ) 2.20569679
WF centre and spread 14 ( 4.807389, 3.848420, 1.401850 ) 2.18902978
WF centre and spread 15 ( 4.668967, 3.785414, 1.446295 ) 2.17781441
WF centre and spread 16 ( 4.373738, -0.013935, 1.468656 ) 2.18914263
WF centre and spread 17 ( 4.373442, -0.126362, 1.410093 ) 2.18563164
WF centre and spread 18 ( 4.332464, 0.150879, 1.379639 ) 2.19642168
Sum of centres and spreads ( 30.901501, 53.522968, 59.421002 ) 39.42970790
350 -0.660E-04 0.0262248288 39.4297078994 0.64 <-- CONV
O_D= 0.0062176 O_OD= 1.2306579 O_TOT= 39.4297079 <-- SPRD
Delta: O_D= 0.7755833E-06 O_OD= -0.6673199E-04 O_TOT= -0.6595641E-04 <-- DLTA
------------------------------------------------------------------------------
Cycle: 360
WF centre and spread 1 ( -1.235183, 5.764109, 5.134626 ) 2.18806384
WF centre and spread 2 ( -1.397792, 5.809904, 5.221622 ) 2.19684165
WF centre and spread 3 ( -1.136670, 5.705460, 5.192520 ) 2.18620137
WF centre and spread 4 ( 2.286772, 4.239243, 5.193943 ) 2.20528645
WF centre and spread 5 ( 2.059900, 4.080772, 5.200115 ) 2.18918967
WF centre and spread 6 ( 2.197198, 4.143223, 5.155072 ) 2.17790224
WF centre and spread 7 ( -0.940318, 1.996125, 5.133813 ) 2.18899135
WF centre and spread 8 ( -0.939842, 2.108862, 5.192284 ) 2.18571598
WF centre and spread 9 ( -0.898984, 1.831452, 5.222539 ) 2.19647410
WF centre and spread 10 ( 1.235182, 2.165220, 1.467707 ) 2.18806306
WF centre and spread 11 ( 1.397792, 2.119425, 1.380711 ) 2.19684104
WF centre and spread 12 ( 1.136670, 2.223869, 1.409814 ) 2.18620082
WF centre and spread 13 ( 4.580231, 3.690089, 1.408394 ) 2.20528703
WF centre and spread 14 ( 4.807101, 3.848557, 1.402218 ) 2.18918868
WF centre and spread 15 ( 4.669800, 3.786104, 1.447259 ) 2.17790123
WF centre and spread 16 ( 4.373818, -0.013794, 1.468521 ) 2.18899049
WF centre and spread 17 ( 4.373342, -0.126530, 1.410050 ) 2.18571540
WF centre and spread 18 ( 4.332484, 0.150880, 1.379794 ) 2.19647354
Sum of centres and spreads ( 30.901501, 53.522968, 59.421002 ) 39.42932794
360 -0.613E-04 0.0252633241 39.4293279396 0.66 <-- CONV
O_D= 0.0062228 O_OD= 1.2302728 O_TOT= 39.4293279 <-- SPRD
Delta: O_D= 0.7681139E-06 O_OD= -0.6205241E-04 O_TOT= -0.6128430E-04 <-- DLTA
------------------------------------------------------------------------------
Cycle: 370
WF centre and spread 1 ( -1.235261, 5.764232, 5.134740 ) 2.18794018
WF centre and spread 2 ( -1.397772, 5.809913, 5.221488 ) 2.19688385
WF centre and spread 3 ( -1.136592, 5.705317, 5.192559 ) 2.18627342
WF centre and spread 4 ( 2.287511, 4.240116, 5.195296 ) 2.20489221
WF centre and spread 5 ( 2.060197, 4.080645, 5.199761 ) 2.18933487
WF centre and spread 6 ( 2.196409, 4.142583, 5.154151 ) 2.17800005
WF centre and spread 7 ( -0.940395, 1.995986, 5.133944 ) 2.18884357
WF centre and spread 8 ( -0.939745, 2.109025, 5.192327 ) 2.18579764
WF centre and spread 9 ( -0.899004, 1.831453, 5.222388 ) 2.19652459
WF centre and spread 10 ( 1.235260, 2.165097, 1.467594 ) 2.18793941
WF centre and spread 11 ( 1.397772, 2.119416, 1.380845 ) 2.19688323
WF centre and spread 12 ( 1.136592, 2.224011, 1.409775 ) 2.18627287
WF centre and spread 13 ( 4.579491, 3.689215, 1.407041 ) 2.20489274
WF centre and spread 14 ( 4.806803, 3.848684, 1.402572 ) 2.18933392
WF centre and spread 15 ( 4.670590, 3.786744, 1.448180 ) 2.17799900
WF centre and spread 16 ( 4.373895, -0.013654, 1.468389 ) 2.18884271
WF centre and spread 17 ( 4.373245, -0.126693, 1.410007 ) 2.18579706
WF centre and spread 18 ( 4.332504, 0.150879, 1.379945 ) 2.19652402
Sum of centres and spreads ( 30.901501, 53.522968, 59.421002 ) 39.42897538
370 -0.567E-04 0.0242836765 39.4289753741 0.67 <-- CONV
O_D= 0.0062275 O_OD= 1.2299156 O_TOT= 39.4289754 <-- SPRD
Delta: O_D= 0.7463832E-06 O_OD= -0.5743403E-04 O_TOT= -0.5668764E-04 <-- DLTA
------------------------------------------------------------------------------
Cycle: 380
WF centre and spread 1 ( -1.235338, 5.764352, 5.134850 ) 2.18782035
WF centre and spread 2 ( -1.397751, 5.809921, 5.221357 ) 2.19692467
WF centre and spread 3 ( -1.136517, 5.705178, 5.192597 ) 2.18634315
WF centre and spread 4 ( 2.288189, 4.240930, 5.196581 ) 2.20451428
WF centre and spread 5 ( 2.060502, 4.080528, 5.199421 ) 2.18946629
WF centre and spread 6 ( 2.195662, 4.141991, 5.153274 ) 2.17810776
WF centre and spread 7 ( -0.940471, 1.995848, 5.134073 ) 2.18869995
WF centre and spread 8 ( -0.939650, 2.109184, 5.192368 ) 2.18587724
WF centre and spread 9 ( -0.899024, 1.831457, 5.222241 ) 2.19657391
WF centre and spread 10 ( 1.235337, 2.164977, 1.467483 ) 2.18781959
WF centre and spread 11 ( 1.397751, 2.119408, 1.380976 ) 2.19692405
WF centre and spread 12 ( 1.136517, 2.224150, 1.409737 ) 2.18634260
WF centre and spread 13 ( 4.578813, 3.688401, 1.405755 ) 2.20451477
WF centre and spread 14 ( 4.806499, 3.848801, 1.402911 ) 2.18946539
WF centre and spread 15 ( 4.671337, 3.787337, 1.449058 ) 2.17810668
WF centre and spread 16 ( 4.373971, -0.013516, 1.468260 ) 2.18869909
WF centre and spread 17 ( 4.373150, -0.126852, 1.409965 ) 2.18587665
WF centre and spread 18 ( 4.332524, 0.150875, 1.380093 ) 2.19657334
Sum of centres and spreads ( 30.901501, 53.522968, 59.421002 ) 39.42864974
380 -0.522E-04 0.0232943122 39.4286497366 0.69 <-- CONV
O_D= 0.0062318 O_OD= 1.2295856 O_TOT= 39.4286497 <-- SPRD
Delta: O_D= 0.7142298E-06 O_OD= -0.5292725E-04 O_TOT= -0.5221302E-04 <-- DLTA
------------------------------------------------------------------------------
Cycle: 390
WF centre and spread 1 ( -1.235414, 5.764469, 5.134959 ) 2.18770419
WF centre and spread 2 ( -1.397729, 5.809928, 5.221229 ) 2.19696422
WF centre and spread 3 ( -1.136445, 5.705044, 5.192634 ) 2.18641064
WF centre and spread 4 ( 2.288810, 4.241686, 5.197799 ) 2.20415334
WF centre and spread 5 ( 2.060812, 4.080420, 5.199097 ) 2.18958395
WF centre and spread 6 ( 2.194955, 4.141444, 5.152441 ) 2.17822428
WF centre and spread 7 ( -0.940545, 1.995712, 5.134200 ) 2.18856034
WF centre and spread 8 ( -0.939557, 2.109339, 5.192409 ) 2.18595478
WF centre and spread 9 ( -0.899044, 1.831464, 5.222096 ) 2.19662213
WF centre and spread 10 ( 1.235413, 2.164860, 1.467375 ) 2.18770343
WF centre and spread 11 ( 1.397729, 2.119401, 1.381104 ) 2.19696360
WF centre and spread 12 ( 1.136445, 2.224284, 1.409700 ) 2.18641009
WF centre and spread 13 ( 4.578192, 3.687645, 1.404537 ) 2.20415377
WF centre and spread 14 ( 4.806188, 3.848909, 1.403236 ) 2.18958309
WF centre and spread 15 ( 4.672043, 3.787883, 1.449890 ) 2.17822317
WF centre and spread 16 ( 4.374045, -0.013380, 1.468134 ) 2.18855948
WF centre and spread 17 ( 4.373057, -0.127007, 1.409925 ) 2.18595419
WF centre and spread 18 ( 4.332544, 0.150868, 1.380237 ) 2.19662156
Sum of centres and spreads ( 30.901501, 53.522968, 59.421002 ) 39.42835024
390 -0.479E-04 0.0223036289 39.4283502388 0.71 <-- CONV
O_D= 0.0062357 O_OD= 1.2292822 O_TOT= 39.4283502 <-- SPRD
Delta: O_D= 0.6754321E-06 O_OD= -0.4858078E-04 O_TOT= -0.4790535E-04 <-- DLTA
------------------------------------------------------------------------------
Cycle: 400
WF centre and spread 1 ( -1.235488, 5.764583, 5.135064 ) 2.18759155
WF centre and spread 2 ( -1.397707, 5.809934, 5.221104 ) 2.19700261
WF centre and spread 3 ( -1.136375, 5.704914, 5.192669 ) 2.18647599
WF centre and spread 4 ( 2.289377, 4.242386, 5.198950 ) 2.20380982
WF centre and spread 5 ( 2.061126, 4.080320, 5.198787 ) 2.18968798
WF centre and spread 6 ( 2.194287, 4.140941, 5.151652 ) 2.17834848
WF centre and spread 7 ( -0.940617, 1.995578, 5.134323 ) 2.18842461
WF centre and spread 8 ( -0.939466, 2.109489, 5.192449 ) 2.18603030
WF centre and spread 9 ( -0.899063, 1.831472, 5.221954 ) 2.19666932
WF centre and spread 10 ( 1.235487, 2.164746, 1.467269 ) 2.18759080
WF centre and spread 11 ( 1.397706, 2.119395, 1.381229 ) 2.19700199
WF centre and spread 12 ( 1.136374, 2.224415, 1.409664 ) 2.18647543
WF centre and spread 13 ( 4.577624, 3.686945, 1.403386 ) 2.20381020
WF centre and spread 14 ( 4.805875, 3.849009, 1.403546 ) 2.18968717
WF centre and spread 15 ( 4.672711, 3.788387, 1.450679 ) 2.17834735
WF centre and spread 16 ( 4.374117, -0.013246, 1.468011 ) 2.18842376
WF centre and spread 17 ( 4.372966, -0.127157, 1.409885 ) 2.18602971
WF centre and spread 18 ( 4.332563, 0.150860, 1.380379 ) 2.19666875
Sum of centres and spreads ( 30.901501, 53.522968, 59.421002 ) 39.42807582
400 -0.438E-04 0.0213196532 39.4280758178 0.72 <-- CONV
O_D= 0.0062392 O_OD= 1.2290043 O_TOT= 39.4280758 <-- SPRD
Delta: O_D= 0.6330626E-06 O_OD= -0.4443505E-04 O_TOT= -0.4380199E-04 <-- DLTA
------------------------------------------------------------------------------
Writing checkpoint file wann.chk... done
Cycle: 410
WF centre and spread 1 ( -1.235561, 5.764694, 5.135167 ) 2.18748232
WF centre and spread 2 ( -1.397683, 5.809940, 5.220983 ) 2.19703991
WF centre and spread 3 ( -1.136307, 5.704787, 5.192704 ) 2.18653925
WF centre and spread 4 ( 2.289894, 4.243034, 5.200035 ) 2.20348397
WF centre and spread 5 ( 2.061440, 4.080227, 5.198493 ) 2.18977868
WF centre and spread 6 ( 2.193656, 4.140479, 5.150907 ) 2.17847924
WF centre and spread 7 ( -0.940687, 1.995446, 5.134444 ) 2.18829267
WF centre and spread 8 ( -0.939378, 2.109635, 5.192487 ) 2.18610384
WF centre and spread 9 ( -0.899082, 1.831482, 5.221816 ) 2.19671549
WF centre and spread 10 ( 1.235560, 2.164635, 1.467166 ) 2.18748158
WF centre and spread 11 ( 1.397683, 2.119389, 1.381351 ) 2.19703929
WF centre and spread 12 ( 1.136307, 2.224541, 1.409630 ) 2.18653870
WF centre and spread 13 ( 4.577107, 3.686297, 1.402302 ) 2.20348429
WF centre and spread 14 ( 4.805560, 3.849102, 1.403840 ) 2.18977791
WF centre and spread 15 ( 4.673343, 3.788848, 1.451425 ) 2.17847809
WF centre and spread 16 ( 4.374187, -0.013114, 1.467890 ) 2.18829182
WF centre and spread 17 ( 4.372878, -0.127303, 1.409847 ) 2.18610324
WF centre and spread 18 ( 4.332582, 0.150850, 1.380518 ) 2.19671491
Sum of centres and spreads ( 30.901501, 53.522968, 59.421002 ) 39.42782520
410 -0.399E-04 0.0203497172 39.4278251983 0.74 <-- CONV
O_D= 0.0062424 O_OD= 1.2287504 O_TOT= 39.4278252 <-- SPRD
Delta: O_D= 0.5894163E-06 O_OD= -0.4052032E-04 O_TOT= -0.3993090E-04 <-- DLTA
------------------------------------------------------------------------------
Cycle: 420
WF centre and spread 1 ( -1.235632, 5.764803, 5.135268 ) 2.18737639
WF centre and spread 2 ( -1.397659, 5.809945, 5.220864 ) 2.19707618
WF centre and spread 3 ( -1.136241, 5.704664, 5.192738 ) 2.18660050
WF centre and spread 4 ( 2.290366, 4.243632, 5.201054 ) 2.20317579
WF centre and spread 5 ( 2.061755, 4.080142, 5.198215 ) 2.18985646
WF centre and spread 6 ( 2.193060, 4.140056, 5.150204 ) 2.17861545
WF centre and spread 7 ( -0.940756, 1.995316, 5.134562 ) 2.18816441
WF centre and spread 8 ( -0.939291, 2.109778, 5.192525 ) 2.18617541
WF centre and spread 9 ( -0.899101, 1.831493, 5.221680 ) 2.19676065
WF centre and spread 10 ( 1.235632, 2.164526, 1.467065 ) 2.18737566
WF centre and spread 11 ( 1.397659, 2.119384, 1.381470 ) 2.19707556
WF centre and spread 12 ( 1.136241, 2.224664, 1.409596 ) 2.18659995
WF centre and spread 13 ( 4.576635, 3.685699, 1.401281 ) 2.20317607
WF centre and spread 14 ( 4.805246, 3.849187, 1.404118 ) 2.18985573
WF centre and spread 15 ( 4.673939, 3.789272, 1.452128 ) 2.17861429
WF centre and spread 16 ( 4.374256, -0.012984, 1.467772 ) 2.18816356
WF centre and spread 17 ( 4.372792, -0.127445, 1.409809 ) 2.18617481
WF centre and spread 18 ( 4.332601, 0.150839, 1.380653 ) 2.19676007
Sum of centres and spreads ( 30.901501, 53.522968, 59.421002 ) 39.42759696
420 -0.363E-04 0.0194002485 39.4275969545 0.76 <-- CONV
O_D= 0.0062454 O_OD= 1.2285193 O_TOT= 39.4275970 <-- SPRD
Delta: O_D= 0.5461124E-06 O_OD= -0.3685672E-04 O_TOT= -0.3631061E-04 <-- DLTA
------------------------------------------------------------------------------
Cycle: 430
WF centre and spread 1 ( -1.235703, 5.764908, 5.135366 ) 2.18727367
WF centre and spread 2 ( -1.397635, 5.809949, 5.220747 ) 2.19711150
WF centre and spread 3 ( -1.136178, 5.704545, 5.192771 ) 2.18665981
WF centre and spread 4 ( 2.290795, 4.244183, 5.202012 ) 2.20288511
WF centre and spread 5 ( 2.062067, 4.080063, 5.197952 ) 2.18992184
WF centre and spread 6 ( 2.192496, 4.139669, 5.149542 ) 2.17875603
WF centre and spread 7 ( -0.940822, 1.995188, 5.134677 ) 2.18803975
WF centre and spread 8 ( -0.939207, 2.109916, 5.192562 ) 2.18624505
WF centre and spread 9 ( -0.899120, 1.831506, 5.221547 ) 2.19680482
WF centre and spread 10 ( 1.235702, 2.164421, 1.466967 ) 2.18727294
WF centre and spread 11 ( 1.397635, 2.119379, 1.381586 ) 2.19711087
WF centre and spread 12 ( 1.136177, 2.224783, 1.409563 ) 2.18665925
WF centre and spread 13 ( 4.576206, 3.685147, 1.400324 ) 2.20288534
WF centre and spread 14 ( 4.804934, 3.849266, 1.404381 ) 2.18992114
WF centre and spread 15 ( 4.674503, 3.789659, 1.452790 ) 2.17875486
WF centre and spread 16 ( 4.374322, -0.012857, 1.467657 ) 2.18803890
WF centre and spread 17 ( 4.372707, -0.127584, 1.409772 ) 2.18624445
WF centre and spread 18 ( 4.332620, 0.150826, 1.380786 ) 2.19680424
Sum of centres and spreads ( 30.901501, 53.522968, 59.421002 ) 39.42738957
430 -0.330E-04 0.0184766487 39.4273895692 0.77 <-- CONV
O_D= 0.0062480 O_OD= 1.2283092 O_TOT= 39.4273896 <-- SPRD
Delta: O_D= 0.5042336E-06 O_OD= -0.3345510E-04 O_TOT= -0.3295086E-04 <-- DLTA
------------------------------------------------------------------------------
Cycle: 440
WF centre and spread 1 ( -1.235772, 5.765011, 5.135462 ) 2.18717406
WF centre and spread 2 ( -1.397611, 5.809953, 5.220634 ) 2.19714589
WF centre and spread 3 ( -1.136116, 5.704429, 5.192802 ) 2.18671722
WF centre and spread 4 ( 2.291186, 4.244691, 5.202909 ) 2.20261158
WF centre and spread 5 ( 2.062375, 4.079990, 5.197704 ) 2.18997544
WF centre and spread 6 ( 2.191963, 4.139315, 5.148919 ) 2.17889998
WF centre and spread 7 ( -0.940887, 1.995063, 5.134789 ) 2.18791858
WF centre and spread 8 ( -0.939125, 2.110051, 5.192598 ) 2.18631279
WF centre and spread 9 ( -0.899138, 1.831520, 5.221417 ) 2.19684800
WF centre and spread 10 ( 1.235771, 2.164318, 1.466871 ) 2.18717333
WF centre and spread 11 ( 1.397610, 2.119375, 1.381699 ) 2.19714527
WF centre and spread 12 ( 1.136116, 2.224899, 1.409531 ) 2.18671667
WF centre and spread 13 ( 4.575815, 3.684639, 1.399427 ) 2.20261176
WF centre and spread 14 ( 4.804625, 3.849339, 1.404629 ) 2.18997478
WF centre and spread 15 ( 4.675037, 3.790013, 1.453413 ) 2.17889880
WF centre and spread 16 ( 4.374387, -0.012731, 1.467544 ) 2.18791774
WF centre and spread 17 ( 4.372625, -0.127719, 1.409736 ) 2.18631219
WF centre and spread 18 ( 4.332638, 0.150812, 1.380916 ) 2.19684743
Sum of centres and spreads ( 30.901500, 53.522968, 59.421002 ) 39.42720149
440 -0.299E-04 0.0175832542 39.4272014850 0.79 <-- CONV
O_D= 0.0062504 O_OD= 1.2281188 O_TOT= 39.4272015 <-- SPRD
Delta: O_D= 0.4644623E-06 O_OD= -0.3031836E-04 O_TOT= -0.2985390E-04 <-- DLTA
------------------------------------------------------------------------------
Cycle: 450
WF centre and spread 1 ( -1.235839, 5.765112, 5.135556 ) 2.18707746
WF centre and spread 2 ( -1.397586, 5.809957, 5.220524 ) 2.19717941
WF centre and spread 3 ( -1.136056, 5.704317, 5.192834 ) 2.18677280
WF centre and spread 4 ( 2.291543, 4.245158, 5.203748 ) 2.20235471
WF centre and spread 5 ( 2.062679, 4.079922, 5.197472 ) 2.19001796
WF centre and spread 6 ( 2.191458, 4.138992, 5.148335 ) 2.17904634
WF centre and spread 7 ( -0.940950, 1.994939, 5.134899 ) 2.18780084
WF centre and spread 8 ( -0.939044, 2.110182, 5.192633 ) 2.18637867
WF centre and spread 9 ( -0.899156, 1.831535, 5.221290 ) 2.19689021
WF centre and spread 10 ( 1.235839, 2.164217, 1.466778 ) 2.18707674
WF centre and spread 11 ( 1.397585, 2.119372, 1.381809 ) 2.19717879
WF centre and spread 12 ( 1.136056, 2.225012, 1.409500 ) 2.18677224
WF centre and spread 13 ( 4.575458, 3.684172, 1.398587 ) 2.20235484
WF centre and spread 14 ( 4.804321, 3.849407, 1.404862 ) 2.19001732
WF centre and spread 15 ( 4.675541, 3.790337, 1.453997 ) 2.17904515
WF centre and spread 16 ( 4.374450, -0.012608, 1.467434 ) 2.18779999
WF centre and spread 17 ( 4.372545, -0.127850, 1.409701 ) 2.18637806
WF centre and spread 18 ( 4.332656, 0.150797, 1.381043 ) 2.19688963
Sum of centres and spreads ( 30.901500, 53.522968, 59.421002 ) 39.42703115
450 -0.270E-04 0.0167233732 39.4270311468 0.80 <-- CONV
O_D= 0.0062526 O_OD= 1.2279462 O_TOT= 39.4270311 <-- SPRD
Delta: O_D= 0.4271826E-06 O_OD= -0.2744295E-04 O_TOT= -0.2701577E-04 <-- DLTA
------------------------------------------------------------------------------
Cycle: 460
WF centre and spread 1 ( -1.235905, 5.765209, 5.135647 ) 2.18698381
WF centre and spread 2 ( -1.397561, 5.809960, 5.220416 ) 2.19721209
WF centre and spread 3 ( -1.135999, 5.704207, 5.192864 ) 2.18682659
WF centre and spread 4 ( 2.291868, 4.245588, 5.204533 ) 2.20211390
WF centre and spread 5 ( 2.062977, 4.079859, 5.197253 ) 2.19005013
WF centre and spread 6 ( 2.190981, 4.138697, 5.147786 ) 2.17919424
WF centre and spread 7 ( -0.941011, 1.994818, 5.135006 ) 2.18768643
WF centre and spread 8 ( -0.938966, 2.110309, 5.192667 ) 2.18644271
WF centre and spread 9 ( -0.899174, 1.831552, 5.221166 ) 2.19693144
WF centre and spread 10 ( 1.235905, 2.164120, 1.466687 ) 2.18698309
WF centre and spread 11 ( 1.397560, 2.119369, 1.381917 ) 2.19721146
WF centre and spread 12 ( 1.135999, 2.225121, 1.409470 ) 2.18682604
WF centre and spread 13 ( 4.575133, 3.683741, 1.397802 ) 2.20211398
WF centre and spread 14 ( 4.804023, 3.849469, 1.405080 ) 2.19004953
WF centre and spread 15 ( 4.676019, 3.790632, 1.454546 ) 2.17919306
WF centre and spread 16 ( 4.374511, -0.012487, 1.467327 ) 2.18768559
WF centre and spread 17 ( 4.372466, -0.127977, 1.409666 ) 2.18644210
WF centre and spread 18 ( 4.332674, 0.150780, 1.381167 ) 2.19693086
Sum of centres and spreads ( 30.901500, 53.522968, 59.421002 ) 39.42687704
460 -0.244E-04 0.0158993323 39.4268770358 0.82 <-- CONV
O_D= 0.0062546 O_OD= 1.2277901 O_TOT= 39.4268770 <-- SPRD
Delta: O_D= 0.3925749E-06 O_OD= -0.2482027E-04 O_TOT= -0.2442770E-04 <-- DLTA
------------------------------------------------------------------------------
Cycle: 470
WF centre and spread 1 ( -1.235970, 5.765304, 5.135735 ) 2.18689300
WF centre and spread 2 ( -1.397535, 5.809963, 5.220311 ) 2.19724395
WF centre and spread 3 ( -1.135943, 5.704101, 5.192893 ) 2.18687866
WF centre and spread 4 ( 2.292164, 4.245984, 5.205266 ) 2.20188846
WF centre and spread 5 ( 2.063269, 4.079802, 5.197049 ) 2.19007275
WF centre and spread 6 ( 2.190528, 4.138428, 5.147271 ) 2.17934291
WF centre and spread 7 ( -0.941071, 1.994699, 5.135111 ) 2.18757528
WF centre and spread 8 ( -0.938890, 2.110433, 5.192701 ) 2.18650495
WF centre and spread 9 ( -0.899192, 1.831569, 5.221044 ) 2.19697171
WF centre and spread 10 ( 1.235970, 2.164025, 1.466598 ) 2.18689229
WF centre and spread 11 ( 1.397535, 2.119366, 1.382022 ) 2.19724333
WF centre and spread 12 ( 1.135943, 2.225227, 1.409440 ) 2.18687811
WF centre and spread 13 ( 4.574837, 3.683346, 1.397069 ) 2.20188849
WF centre and spread 14 ( 4.803732, 3.849527, 1.405284 ) 2.19007217
WF centre and spread 15 ( 4.676471, 3.790901, 1.455061 ) 2.17934173
WF centre and spread 16 ( 4.374571, -0.012368, 1.467222 ) 2.18757445
WF centre and spread 17 ( 4.372390, -0.128101, 1.409633 ) 2.18650434
WF centre and spread 18 ( 4.332692, 0.150763, 1.381289 ) 2.19697112
Sum of centres and spreads ( 30.901500, 53.522968, 59.421002 ) 39.42673770
470 -0.221E-04 0.0151125823 39.4267376952 0.84 <-- CONV
O_D= 0.0062564 O_OD= 1.2276490 O_TOT= 39.4267377 <-- SPRD
Delta: O_D= 0.3606738E-06 O_OD= -0.2243808E-04 O_TOT= -0.2207741E-04 <-- DLTA
------------------------------------------------------------------------------
Cycle: 480
WF centre and spread 1 ( -1.236034, 5.765397, 5.135822 ) 2.18680498
WF centre and spread 2 ( -1.397510, 5.809965, 5.220208 ) 2.19727503
WF centre and spread 3 ( -1.135889, 5.703998, 5.192922 ) 2.18692905
WF centre and spread 4 ( 2.292435, 4.246348, 5.205950 ) 2.20167765
WF centre and spread 5 ( 2.063553, 4.079748, 5.196858 ) 2.19008660
WF centre and spread 6 ( 2.190100, 4.138182, 5.146789 ) 2.17949164
WF centre and spread 7 ( -0.941129, 1.994583, 5.135213 ) 2.18746733
WF centre and spread 8 ( -0.938815, 2.110553, 5.192734 ) 2.18656542
WF centre and spread 9 ( -0.899209, 1.831587, 5.220925 ) 2.19701101
WF centre and spread 10 ( 1.236033, 2.163932, 1.466512 ) 2.18680427
WF centre and spread 11 ( 1.397510, 2.119364, 1.382125 ) 2.19727441
WF centre and spread 12 ( 1.135888, 2.225330, 1.409412 ) 2.18692850
WF centre and spread 13 ( 4.574566, 3.682982, 1.396385 ) 2.20167764
WF centre and spread 14 ( 4.803448, 3.849581, 1.405476 ) 2.19008605
WF centre and spread 15 ( 4.676900, 3.791146, 1.455544 ) 2.17949045
WF centre and spread 16 ( 4.374629, -0.012251, 1.467120 ) 2.18746649
WF centre and spread 17 ( 4.372316, -0.128221, 1.409600 ) 2.18656481
WF centre and spread 18 ( 4.332709, 0.150745, 1.381408 ) 2.19701042
Sum of centres and spreads ( 30.901500, 53.522968, 59.421002 ) 39.42661175
480 -0.200E-04 0.0143638195 39.4266117481 0.86 <-- CONV
O_D= 0.0062580 O_OD= 1.2275214 O_TOT= 39.4266117 <-- SPRD
Delta: O_D= 0.3314208E-06 O_OD= -0.2028171E-04 O_TOT= -0.1995029E-04 <-- DLTA
------------------------------------------------------------------------------
Cycle: 490
WF centre and spread 1 ( -1.236096, 5.765487, 5.135906 ) 2.18671966
WF centre and spread 2 ( -1.397484, 5.809967, 5.220109 ) 2.19730534
WF centre and spread 3 ( -1.135836, 5.703898, 5.192950 ) 2.18697782
WF centre and spread 4 ( 2.292683, 4.246682, 5.206588 ) 2.20148070
WF centre and spread 5 ( 2.063829, 4.079698, 5.196679 ) 2.19009248
WF centre and spread 6 ( 2.189693, 4.137959, 5.146337 ) 2.17963978
WF centre and spread 7 ( -0.941185, 1.994468, 5.135313 ) 2.18736248
WF centre and spread 8 ( -0.938743, 2.110670, 5.192766 ) 2.18662417
WF centre and spread 9 ( -0.899226, 1.831606, 5.220809 ) 2.19704936
WF centre and spread 10 ( 1.236096, 2.163842, 1.466428 ) 2.18671895
WF centre and spread 11 ( 1.397484, 2.119362, 1.382224 ) 2.19730472
WF centre and spread 12 ( 1.135836, 2.225430, 1.409384 ) 2.18697726
WF centre and spread 13 ( 4.574318, 3.682647, 1.395746 ) 2.20148065
WF centre and spread 14 ( 4.803171, 3.849631, 1.405654 ) 2.19009195
WF centre and spread 15 ( 4.677306, 3.791370, 1.455996 ) 2.17963861
WF centre and spread 16 ( 4.374685, -0.012137, 1.467021 ) 2.18736165
WF centre and spread 17 ( 4.372243, -0.128338, 1.409568 ) 2.18662355
WF centre and spread 18 ( 4.332726, 0.150726, 1.381524 ) 2.19704878
Sum of centres and spreads ( 30.901500, 53.522968, 59.421002 ) 39.42649791
490 -0.180E-04 0.0136530660 39.4264979088 0.88 <-- CONV
O_D= 0.0062596 O_OD= 1.2274060 O_TOT= 39.4264979 <-- SPRD
Delta: O_D= 0.3046937E-06 O_OD= -0.1833498E-04 O_TOT= -0.1803029E-04 <-- DLTA
------------------------------------------------------------------------------
Cycle: 500
WF centre and spread 1 ( -1.236157, 5.765575, 5.135988 ) 2.18663698
WF centre and spread 2 ( -1.397459, 5.809969, 5.220012 ) 2.19733490
WF centre and spread 3 ( -1.135785, 5.703801, 5.192977 ) 2.18702500
WF centre and spread 4 ( 2.292910, 4.246990, 5.207184 ) 2.20129681
WF centre and spread 5 ( 2.064098, 4.079652, 5.196513 ) 2.19009118
WF centre and spread 6 ( 2.189308, 4.137755, 5.145913 ) 2.17978681
WF centre and spread 7 ( -0.941240, 1.994356, 5.135410 ) 2.18726068
WF centre and spread 8 ( -0.938672, 2.110784, 5.192797 ) 2.18668121
WF centre and spread 9 ( -0.899242, 1.831626, 5.220696 ) 2.19708677
WF centre and spread 10 ( 1.236157, 2.163754, 1.466346 ) 2.18663627
WF centre and spread 11 ( 1.397459, 2.119360, 1.382322 ) 2.19733427
WF centre and spread 12 ( 1.135785, 2.225527, 1.409357 ) 2.18702444
WF centre and spread 13 ( 4.574091, 3.682339, 1.395151 ) 2.20129673
WF centre and spread 14 ( 4.802903, 3.849677, 1.405821 ) 2.19009067
WF centre and spread 15 ( 4.677692, 3.791574, 1.456419 ) 2.17978563
WF centre and spread 16 ( 4.374740, -0.012025, 1.466923 ) 2.18725985
WF centre and spread 17 ( 4.372173, -0.128452, 1.409537 ) 2.18668060
WF centre and spread 18 ( 4.332742, 0.150706, 1.381637 ) 2.19708618
Sum of centres and spreads ( 30.901500, 53.522968, 59.421002 ) 39.42639499
500 -0.163E-04 0.0129798363 39.4263949890 0.89 <-- CONV
O_D= 0.0062610 O_OD= 1.2273017 O_TOT= 39.4263950 <-- SPRD
Delta: O_D= 0.2803366E-06 O_OD= -0.1658114E-04 O_TOT= -0.1630080E-04 <-- DLTA
------------------------------------------------------------------------------
Writing checkpoint file wann.chk... done
Cycle: 510
WF centre and spread 1 ( -1.236217, 5.765660, 5.136068 ) 2.18655685
WF centre and spread 2 ( -1.397434, 5.809970, 5.219917 ) 2.19736372
WF centre and spread 3 ( -1.135736, 5.703707, 5.193003 ) 2.18707065
WF centre and spread 4 ( 2.293118, 4.247273, 5.207739 ) 2.20112519
WF centre and spread 5 ( 2.064358, 4.079609, 5.196357 ) 2.19008347
WF centre and spread 6 ( 2.188941, 4.137568, 5.145516 ) 2.17993222
WF centre and spread 7 ( -0.941293, 1.994247, 5.135505 ) 2.18716186
WF centre and spread 8 ( -0.938604, 2.110894, 5.192828 ) 2.18673660
WF centre and spread 9 ( -0.899259, 1.831646, 5.220585 ) 2.19712325
WF centre and spread 10 ( 1.236216, 2.163669, 1.466266 ) 2.18655615
WF centre and spread 11 ( 1.397433, 2.119359, 1.382416 ) 2.19736310
WF centre and spread 12 ( 1.135736, 2.225622, 1.409330 ) 2.18707009
WF centre and spread 13 ( 4.573882, 3.682056, 1.394596 ) 2.20112507
WF centre and spread 14 ( 4.802643, 3.849720, 1.405976 ) 2.19008296
WF centre and spread 15 ( 4.678058, 3.791760, 1.456816 ) 2.17993106
WF centre and spread 16 ( 4.374793, -0.011915, 1.466828 ) 2.18716102
WF centre and spread 17 ( 4.372104, -0.128562, 1.409506 ) 2.18673598
WF centre and spread 18 ( 4.332759, 0.150686, 1.381748 ) 2.19712266
Sum of centres and spreads ( 30.901500, 53.522968, 59.421002 ) 39.42630190
510 -0.147E-04 0.0123432081 39.4263018997 0.91 <-- CONV
O_D= 0.0062622 O_OD= 1.2272074 O_TOT= 39.4263019 <-- SPRD
Delta: O_D= 0.2581747E-06 O_OD= -0.1500340E-04 O_TOT= -0.1474522E-04 <-- DLTA
------------------------------------------------------------------------------
Cycle: 520
WF centre and spread 1 ( -1.236275, 5.765743, 5.136145 ) 2.18647923
WF centre and spread 2 ( -1.397408, 5.809971, 5.219825 ) 2.19739182
WF centre and spread 3 ( -1.135689, 5.703615, 5.193029 ) 2.18711481
WF centre and spread 4 ( 2.293310, 4.247534, 5.208257 ) 2.20096504
WF centre and spread 5 ( 2.064609, 4.079569, 5.196212 ) 2.19007006
WF centre and spread 6 ( 2.188593, 4.137398, 5.145145 ) 2.18007562
WF centre and spread 7 ( -0.941345, 1.994139, 5.135598 ) 2.18706594
WF centre and spread 8 ( -0.938537, 2.111001, 5.192857 ) 2.18679035
WF centre and spread 9 ( -0.899274, 1.831666, 5.220477 ) 2.19715881
WF centre and spread 10 ( 1.236274, 2.163586, 1.466189 ) 2.18647852
WF centre and spread 11 ( 1.397408, 2.119358, 1.382508 ) 2.19739120
WF centre and spread 12 ( 1.135689, 2.225713, 1.409305 ) 2.18711425
WF centre and spread 13 ( 4.573691, 3.681795, 1.394078 ) 2.20096489
WF centre and spread 14 ( 4.802392, 3.849760, 1.406121 ) 2.19006958
WF centre and spread 15 ( 4.678406, 3.791930, 1.457188 ) 2.18007447
WF centre and spread 16 ( 4.374845, -0.011808, 1.466736 ) 2.18706511
WF centre and spread 17 ( 4.372037, -0.128669, 1.409476 ) 2.18678974
WF centre and spread 18 ( 4.332774, 0.150666, 1.381856 ) 2.19715821
Sum of centres and spreads ( 30.901500, 53.522968, 59.421002 ) 39.42621765
520 -0.133E-04 0.0117419386 39.4262176496 0.93 <-- CONV
O_D= 0.0062634 O_OD= 1.2271219 O_TOT= 39.4262176 <-- SPRD
Delta: O_D= 0.2380273E-06 O_OD= -0.1358543E-04 O_TOT= -0.1334740E-04 <-- DLTA
------------------------------------------------------------------------------
Cycle: 530
WF centre and spread 1 ( -1.236332, 5.765824, 5.136221 ) 2.18640403
WF centre and spread 2 ( -1.397383, 5.809972, 5.219735 ) 2.19741921
WF centre and spread 3 ( -1.135643, 5.703527, 5.193054 ) 2.18715752
WF centre and spread 4 ( 2.293486, 4.247775, 5.208740 ) 2.20081561
WF centre and spread 5 ( 2.064852, 4.079531, 5.196077 ) 2.19005167
WF centre and spread 6 ( 2.188262, 4.137243, 5.144796 ) 2.18021666
WF centre and spread 7 ( -0.941395, 1.994034, 5.135688 ) 2.18697287
WF centre and spread 8 ( -0.938472, 2.111105, 5.192887 ) 2.18684251
WF centre and spread 9 ( -0.899290, 1.831687, 5.220371 ) 2.19719345
WF centre and spread 10 ( 1.236331, 2.163505, 1.466113 ) 2.18640333
WF centre and spread 11 ( 1.397383, 2.119357, 1.382598 ) 2.19741859
WF centre and spread 12 ( 1.135642, 2.225802, 1.409280 ) 2.18715697
WF centre and spread 13 ( 4.573514, 3.681554, 1.393595 ) 2.20081543
WF centre and spread 14 ( 4.802149, 3.849798, 1.406256 ) 2.19005120
WF centre and spread 15 ( 4.678737, 3.792086, 1.457537 ) 2.18021551
WF centre and spread 16 ( 4.374895, -0.011703, 1.466646 ) 2.18697204
WF centre and spread 17 ( 4.371972, -0.128773, 1.409447 ) 2.18684189
WF centre and spread 18 ( 4.332790, 0.150645, 1.381962 ) 2.19719285
Sum of centres and spreads ( 30.901500, 53.522968, 59.421002 ) 39.42614134
530 -0.121E-04 0.0111745578 39.4261413416 0.94 <-- CONV
O_D= 0.0062645 O_OD= 1.2270445 O_TOT= 39.4261413 <-- SPRD
Delta: O_D= 0.2197148E-06 O_OD= -0.1231170E-04 O_TOT= -0.1209198E-04 <-- DLTA
------------------------------------------------------------------------------
Cycle: 540
WF centre and spread 1 ( -1.236387, 5.765902, 5.136294 ) 2.18633120
WF centre and spread 2 ( -1.397358, 5.809972, 5.219648 ) 2.19744590
WF centre and spread 3 ( -1.135598, 5.703441, 5.193078 ) 2.18719884
WF centre and spread 4 ( 2.293649, 4.247997, 5.209190 ) 2.20067615
WF centre and spread 5 ( 2.065086, 4.079496, 5.195951 ) 2.19002895
WF centre and spread 6 ( 2.187947, 4.137101, 5.144469 ) 2.18035503
WF centre and spread 7 ( -0.941444, 1.993931, 5.135775 ) 2.18688258
WF centre and spread 8 ( -0.938408, 2.111206, 5.192915 ) 2.18689311
WF centre and spread 9 ( -0.899305, 1.831708, 5.220268 ) 2.19722719
WF centre and spread 10 ( 1.236387, 2.163427, 1.466040 ) 2.18633050
WF centre and spread 11 ( 1.397358, 2.119356, 1.382685 ) 2.19744528
WF centre and spread 12 ( 1.135598, 2.225888, 1.409255 ) 2.18719828
WF centre and spread 13 ( 4.573351, 3.681332, 1.393144 ) 2.20067594
WF centre and spread 14 ( 4.801914, 3.849833, 1.406382 ) 2.19002849
WF centre and spread 15 ( 4.679052, 3.792228, 1.457863 ) 2.18035390
WF centre and spread 16 ( 4.374944, -0.011600, 1.466558 ) 2.18688175
WF centre and spread 17 ( 4.371909, -0.128874, 1.409419 ) 2.18689249
WF centre and spread 18 ( 4.332805, 0.150624, 1.382065 ) 2.19722659
Sum of centres and spreads ( 30.901500, 53.522968, 59.421002 ) 39.42607217
540 -0.110E-04 0.0106394445 39.4260721673 0.96 <-- CONV
O_D= 0.0062655 O_OD= 1.2269744 O_TOT= 39.4260722 <-- SPRD
Delta: O_D= 0.2030655E-06 O_OD= -0.1116767E-04 O_TOT= -0.1096460E-04 <-- DLTA
------------------------------------------------------------------------------
Cycle: 550
WF centre and spread 1 ( -1.236442, 5.765978, 5.136365 ) 2.18626067
WF centre and spread 2 ( -1.397333, 5.809973, 5.219563 ) 2.19747190
WF centre and spread 3 ( -1.135555, 5.703357, 5.193102 ) 2.18723879
WF centre and spread 4 ( 2.293800, 4.248202, 5.209611 ) 2.20054596
WF centre and spread 5 ( 2.065312, 4.079464, 5.195834 ) 2.19000252
WF centre and spread 6 ( 2.187648, 4.136970, 5.144163 ) 2.18049051
WF centre and spread 7 ( -0.941491, 1.993831, 5.135861 ) 2.18679500
WF centre and spread 8 ( -0.938347, 2.111304, 5.192943 ) 2.18694218
WF centre and spread 9 ( -0.899320, 1.831730, 5.220168 ) 2.19726004
WF centre and spread 10 ( 1.236441, 2.163351, 1.465969 ) 2.18625998
WF centre and spread 11 ( 1.397333, 2.119356, 1.382770 ) 2.19747127
WF centre and spread 12 ( 1.135555, 2.225971, 1.409232 ) 2.18723823
WF centre and spread 13 ( 4.573201, 3.681127, 1.392723 ) 2.20054573
WF centre and spread 14 ( 4.801688, 3.849865, 1.406499 ) 2.19000206
WF centre and spread 15 ( 4.679352, 3.792358, 1.458170 ) 2.18048938
WF centre and spread 16 ( 4.374991, -0.011499, 1.466473 ) 2.18679418
WF centre and spread 17 ( 4.371847, -0.128972, 1.409391 ) 2.18694156
WF centre and spread 18 ( 4.332820, 0.150602, 1.382166 ) 2.19725944
Sum of centres and spreads ( 30.901500, 53.522968, 59.421002 ) 39.42600940
550 -0.995E-05 0.0101348890 39.4260094010 0.97 <-- CONV
O_D= 0.0062664 O_OD= 1.2269107 O_TOT= 39.4260094 <-- SPRD
Delta: O_D= 0.1879175E-06 O_OD= -0.1013991E-04 O_TOT= -0.9951988E-05 <-- DLTA
------------------------------------------------------------------------------
Cycle: 560
WF centre and spread 1 ( -1.236495, 5.766052, 5.136434 ) 2.18619239
WF centre and spread 2 ( -1.397309, 5.809973, 5.219481 ) 2.19749721
WF centre and spread 3 ( -1.135513, 5.703277, 5.193125 ) 2.18727742
WF centre and spread 4 ( 2.293939, 4.248391, 5.210004 ) 2.20042437
WF centre and spread 5 ( 2.065530, 4.079433, 5.195725 ) 2.18997292
WF centre and spread 6 ( 2.187362, 4.136851, 5.143875 ) 2.18062289
WF centre and spread 7 ( -0.941537, 1.993733, 5.135944 ) 2.18671008
WF centre and spread 8 ( -0.938287, 2.111399, 5.192970 ) 2.18698976
WF centre and spread 9 ( -0.899335, 1.831752, 5.220070 ) 2.19729202
WF centre and spread 10 ( 1.236494, 2.163277, 1.465899 ) 2.18619170
WF centre and spread 11 ( 1.397309, 2.119356, 1.382853 ) 2.19749659
WF centre and spread 12 ( 1.135513, 2.226052, 1.409209 ) 2.18727686
WF centre and spread 13 ( 4.573061, 3.680938, 1.392330 ) 2.20042411
WF centre and spread 14 ( 4.801471, 3.849896, 1.406609 ) 2.18997247
WF centre and spread 15 ( 4.679638, 3.792478, 1.458458 ) 2.18062178
WF centre and spread 16 ( 4.375037, -0.011401, 1.466390 ) 2.18670926
WF centre and spread 17 ( 4.371787, -0.129067, 1.409364 ) 2.18698914
WF centre and spread 18 ( 4.332835, 0.150581, 1.382264 ) 2.19729142
Sum of centres and spreads ( 30.901500, 53.522968, 59.421002 ) 39.42595240
560 -0.904E-05 0.0096591339 39.4259523928 0.99 <-- CONV
O_D= 0.0062673 O_OD= 1.2268528 O_TOT= 39.4259524 <-- SPRD
Delta: O_D= 0.1741197E-06 O_OD= -0.9216105E-05 O_TOT= -0.9041986E-05 <-- DLTA
------------------------------------------------------------------------------
Cycle: 570
WF centre and spread 1 ( -1.236546, 5.766124, 5.136502 ) 2.18612630
WF centre and spread 2 ( -1.397284, 5.809973, 5.219400 ) 2.19752186
WF centre and spread 3 ( -1.135473, 5.703198, 5.193147 ) 2.18731476
WF centre and spread 4 ( 2.294069, 4.248567, 5.210372 ) 2.20031075
WF centre and spread 5 ( 2.065739, 4.079405, 5.195622 ) 2.18994070
WF centre and spread 6 ( 2.187090, 4.136741, 5.143605 ) 2.18075202
WF centre and spread 7 ( -0.941582, 1.993637, 5.136025 ) 2.18662776
WF centre and spread 8 ( -0.938229, 2.111492, 5.192996 ) 2.18703588
WF centre and spread 9 ( -0.899349, 1.831773, 5.219974 ) 2.19732313
WF centre and spread 10 ( 1.236546, 2.163205, 1.465832 ) 2.18612560
WF centre and spread 11 ( 1.397284, 2.119356, 1.382933 ) 2.19752123
WF centre and spread 12 ( 1.135473, 2.226130, 1.409187 ) 2.18731420
WF centre and spread 13 ( 4.572932, 3.680762, 1.391962 ) 2.20031047
WF centre and spread 14 ( 4.801261, 3.849924, 1.406711 ) 2.18994025
WF centre and spread 15 ( 4.679910, 3.792587, 1.458728 ) 2.18075092
WF centre and spread 16 ( 4.375082, -0.011306, 1.466309 ) 2.18662694
WF centre and spread 17 ( 4.371729, -0.129159, 1.409338 ) 2.18703526
WF centre and spread 18 ( 4.332850, 0.150559, 1.382359 ) 2.19732253
Sum of centres and spreads ( 30.901500, 53.522968, 59.421002 ) 39.42590056
570 -0.822E-05 0.0092104445 39.4259005618 1.01 <-- CONV
O_D= 0.0062680 O_OD= 1.2268002 O_TOT= 39.4259006 <-- SPRD
Delta: O_D= 0.1615362E-06 O_OD= -0.8385166E-05 O_TOT= -0.8223629E-05 <-- DLTA
------------------------------------------------------------------------------
Cycle: 580
WF centre and spread 1 ( -1.236597, 5.766194, 5.136567 ) 2.18606233
WF centre and spread 2 ( -1.397260, 5.809973, 5.219322 ) 2.19754584
WF centre and spread 3 ( -1.135434, 5.703122, 5.193169 ) 2.18735086
WF centre and spread 4 ( 2.294189, 4.248729, 5.210716 ) 2.20020451
WF centre and spread 5 ( 2.065941, 4.079378, 5.195527 ) 2.18990631
WF centre and spread 6 ( 2.186830, 4.136641, 5.143352 ) 2.18087779
WF centre and spread 7 ( -0.941625, 1.993544, 5.136103 ) 2.18654796
WF centre and spread 8 ( -0.938172, 2.111581, 5.193021 ) 2.18708057
WF centre and spread 9 ( -0.899364, 1.831795, 5.219881 ) 2.19735340
WF centre and spread 10 ( 1.236596, 2.163135, 1.465767 ) 2.18606163
WF centre and spread 11 ( 1.397260, 2.119356, 1.383011 ) 2.19754521
WF centre and spread 12 ( 1.135434, 2.226206, 1.409165 ) 2.18735030
WF centre and spread 13 ( 4.572811, 3.680600, 1.391618 ) 2.20020421
WF centre and spread 14 ( 4.801060, 3.849951, 1.406807 ) 2.18990587
WF centre and spread 15 ( 4.680169, 3.792688, 1.458981 ) 2.18087670
WF centre and spread 16 ( 4.375125, -0.011212, 1.466230 ) 2.18654714
WF centre and spread 17 ( 4.371673, -0.129249, 1.409312 ) 2.18707995
WF centre and spread 18 ( 4.332864, 0.150537, 1.382452 ) 2.19735279
Sum of centres and spreads ( 30.901500, 53.522968, 59.421002 ) 39.42585339
580 -0.749E-05 0.0087871179 39.4258533895 1.04 <-- CONV
O_D= 0.0062688 O_OD= 1.2267523 O_TOT= 39.4258534 <-- SPRD
Delta: O_D= 0.1500424E-06 O_OD= -0.7637074E-05 O_TOT= -0.7487031E-05 <-- DLTA
------------------------------------------------------------------------------
Cycle: 590
WF centre and spread 1 ( -1.236646, 5.766261, 5.136630 ) 2.18600043
WF centre and spread 2 ( -1.397237, 5.809972, 5.219247 ) 2.19756917
WF centre and spread 3 ( -1.135396, 5.703049, 5.193190 ) 2.18738576
WF centre and spread 4 ( 2.294301, 4.248880, 5.211038 ) 2.20010509
WF centre and spread 5 ( 2.066134, 4.079353, 5.195438 ) 2.18987020
WF centre and spread 6 ( 2.186583, 4.136548, 5.143113 ) 2.18100011
WF centre and spread 7 ( -0.941667, 1.993452, 5.136180 ) 2.18647064
WF centre and spread 8 ( -0.938117, 2.111667, 5.193046 ) 2.18712387
WF centre and spread 9 ( -0.899377, 1.831817, 5.219790 ) 2.19738283
WF centre and spread 10 ( 1.236645, 2.163068, 1.465703 ) 2.18599974
WF centre and spread 11 ( 1.397237, 2.119356, 1.383086 ) 2.19756854
WF centre and spread 12 ( 1.135396, 2.226280, 1.409144 ) 2.18738520
WF centre and spread 13 ( 4.572700, 3.680449, 1.391296 ) 2.20010478
WF centre and spread 14 ( 4.800866, 3.849976, 1.406896 ) 2.18986975
WF centre and spread 15 ( 4.680417, 3.792780, 1.459220 ) 2.18099903
WF centre and spread 16 ( 4.375167, -0.011121, 1.466154 ) 2.18646982
WF centre and spread 17 ( 4.371618, -0.129335, 1.409287 ) 2.18712325
WF centre and spread 18 ( 4.332877, 0.150515, 1.382543 ) 2.19738222
Sum of centres and spreads ( 30.901500, 53.522968, 59.421002 ) 39.42581042
590 -0.682E-05 0.0083874971 39.4258104136 1.07 <-- CONV
O_D= 0.0062695 O_OD= 1.2267086 O_TOT= 39.4258104 <-- SPRD
Delta: O_D= 0.1395260E-06 O_OD= -0.6962837E-05 O_TOT= -0.6823311E-05 <-- DLTA
------------------------------------------------------------------------------
Cycle: 600
WF centre and spread 1 ( -1.236693, 5.766327, 5.136692 ) 2.18594054
WF centre and spread 2 ( -1.397213, 5.809972, 5.219173 ) 2.19759185
WF centre and spread 3 ( -1.135359, 5.702977, 5.193210 ) 2.18741948
WF centre and spread 4 ( 2.294405, 4.249020, 5.211339 ) 2.20001199
WF centre and spread 5 ( 2.066321, 4.079329, 5.195354 ) 2.18983273
WF centre and spread 6 ( 2.186347, 4.136463, 5.142889 ) 2.18111893
WF centre and spread 7 ( -0.941707, 1.993364, 5.136254 ) 2.18639573
WF centre and spread 8 ( -0.938064, 2.111751, 5.193070 ) 2.18716581
WF centre and spread 9 ( -0.899391, 1.831839, 5.219702 ) 2.19741144
WF centre and spread 10 ( 1.236693, 2.163002, 1.465642 ) 2.18593985
WF centre and spread 11 ( 1.397213, 2.119357, 1.383160 ) 2.19759122
WF centre and spread 12 ( 1.135359, 2.226351, 1.409124 ) 2.18741892
WF centre and spread 13 ( 4.572595, 3.680309, 1.390995 ) 2.20001166
WF centre and spread 14 ( 4.800680, 3.850000, 1.406979 ) 2.18983229
WF centre and spread 15 ( 4.680653, 3.792866, 1.459444 ) 2.18111786
WF centre and spread 16 ( 4.375207, -0.011032, 1.466079 ) 2.18639491
WF centre and spread 17 ( 4.371564, -0.129419, 1.409263 ) 2.18716519
WF centre and spread 18 ( 4.332891, 0.150493, 1.382631 ) 2.19741083
Sum of centres and spreads ( 30.901500, 53.522968, 59.421002 ) 39.42577122
600 -0.622E-05 0.0080100199 39.4257712216 1.10 <-- CONV
O_D= 0.0062701 O_OD= 1.2266688 O_TOT= 39.4257712 <-- SPRD
Delta: O_D= 0.1298864E-06 O_OD= -0.6354470E-05 O_TOT= -0.6224584E-05 <-- DLTA
------------------------------------------------------------------------------
Writing checkpoint file wann.chk... done
Cycle: 610
WF centre and spread 1 ( -1.236740, 5.766391, 5.136752 ) 2.18588261
WF centre and spread 2 ( -1.397190, 5.809971, 5.219102 ) 2.19761390
WF centre and spread 3 ( -1.135324, 5.702908, 5.193230 ) 2.18745207
WF centre and spread 4 ( 2.294502, 4.249150, 5.211622 ) 2.19992473
WF centre and spread 5 ( 2.066500, 4.079307, 5.195276 ) 2.18979426
WF centre and spread 6 ( 2.186122, 4.136384, 5.142677 ) 2.18123421
WF centre and spread 7 ( -0.941746, 1.993277, 5.136327 ) 2.18632317
WF centre and spread 8 ( -0.938012, 2.111833, 5.193094 ) 2.18720643
WF centre and spread 9 ( -0.899404, 1.831861, 5.219616 ) 2.19743924
WF centre and spread 10 ( 1.236739, 2.162938, 1.465582 ) 2.18588192
WF centre and spread 11 ( 1.397190, 2.119358, 1.383231 ) 2.19761327
WF centre and spread 12 ( 1.135324, 2.226420, 1.409104 ) 2.18745151
WF centre and spread 13 ( 4.572498, 3.680179, 1.390712 ) 2.19992438
WF centre and spread 14 ( 4.800501, 3.850022, 1.407057 ) 2.18979382
WF centre and spread 15 ( 4.680878, 3.792945, 1.459656 ) 2.18123315
WF centre and spread 16 ( 4.375246, -0.010945, 1.466007 ) 2.18632235
WF centre and spread 17 ( 4.371513, -0.129501, 1.409240 ) 2.18720580
WF centre and spread 18 ( 4.332904, 0.150471, 1.382717 ) 2.19743864
Sum of centres and spreads ( 30.901500, 53.522968, 59.421002 ) 39.42573545
610 -0.568E-05 0.0076531995 39.4257354455 1.12 <-- CONV
O_D= 0.0062707 O_OD= 1.2266324 O_TOT= 39.4257354 <-- SPRD
Delta: O_D= 0.1210355E-06 O_OD= -0.5804881E-05 O_TOT= -0.5683845E-05 <-- DLTA
------------------------------------------------------------------------------
Cycle: 620
WF centre and spread 1 ( -1.236785, 5.766453, 5.136809 ) 2.18582658
WF centre and spread 2 ( -1.397168, 5.809970, 5.219032 ) 2.19763533
WF centre and spread 3 ( -1.135290, 5.702842, 5.193249 ) 2.18748355
WF centre and spread 4 ( 2.294593, 4.249271, 5.211887 ) 2.19984287
WF centre and spread 5 ( 2.066671, 4.079286, 5.195203 ) 2.18975508
WF centre and spread 6 ( 2.185907, 4.136312, 5.142478 ) 2.18134594
WF centre and spread 7 ( -0.941784, 1.993193, 5.136397 ) 2.18625291
WF centre and spread 8 ( -0.937962, 2.111912, 5.193117 ) 2.18724575
WF centre and spread 9 ( -0.899417, 1.831883, 5.219533 ) 2.19746625
WF centre and spread 10 ( 1.236785, 2.162876, 1.465524 ) 2.18582589
WF centre and spread 11 ( 1.397168, 2.119358, 1.383301 ) 2.19763470
WF centre and spread 12 ( 1.135290, 2.226487, 1.409085 ) 2.18748299
WF centre and spread 13 ( 4.572407, 3.680058, 1.390446 ) 2.19984250
WF centre and spread 14 ( 4.800329, 3.850043, 1.407131 ) 2.18975464
WF centre and spread 15 ( 4.681093, 3.793017, 1.459855 ) 2.18134490
WF centre and spread 16 ( 4.375284, -0.010861, 1.465937 ) 2.18625209
WF centre and spread 17 ( 4.371462, -0.129579, 1.409217 ) 2.18724512
WF centre and spread 18 ( 4.332917, 0.150449, 1.382801 ) 2.19746565
Sum of centres and spreads ( 30.901500, 53.522968, 59.421002 ) 39.42570276
620 -0.519E-05 0.0073156568 39.4257027570 1.14 <-- CONV
O_D= 0.0062712 O_OD= 1.2265992 O_TOT= 39.4257028 <-- SPRD
Delta: O_D= 0.1128927E-06 O_OD= -0.5307770E-05 O_TOT= -0.5194878E-05 <-- DLTA
------------------------------------------------------------------------------
Cycle: 630
WF centre and spread 1 ( -1.236829, 5.766512, 5.136866 ) 2.18577240
WF centre and spread 2 ( -1.397146, 5.809970, 5.218965 ) 2.19765615
WF centre and spread 3 ( -1.135257, 5.702777, 5.193268 ) 2.18751397
WF centre and spread 4 ( 2.294678, 4.249383, 5.212137 ) 2.19976600
WF centre and spread 5 ( 2.066837, 4.079267, 5.195134 ) 2.18971548
WF centre and spread 6 ( 2.185701, 4.136244, 5.142291 ) 2.18145415
WF centre and spread 7 ( -0.941821, 1.993110, 5.136465 ) 2.18618488
WF centre and spread 8 ( -0.937913, 2.111988, 5.193139 ) 2.18728381
WF centre and spread 9 ( -0.899429, 1.831904, 5.219451 ) 2.19749249
WF centre and spread 10 ( 1.236829, 2.162817, 1.465468 ) 2.18577171
WF centre and spread 11 ( 1.397145, 2.119359, 1.383368 ) 2.19765552
WF centre and spread 12 ( 1.135257, 2.226551, 1.409066 ) 2.18751341
WF centre and spread 13 ( 4.572322, 3.679945, 1.390197 ) 2.19976562
WF centre and spread 14 ( 4.800164, 3.850062, 1.407199 ) 2.18971504
WF centre and spread 15 ( 4.681299, 3.793085, 1.460043 ) 2.18145312
WF centre and spread 16 ( 4.375321, -0.010779, 1.465868 ) 2.18618406
WF centre and spread 17 ( 4.371414, -0.129656, 1.409194 ) 2.18728318
WF centre and spread 18 ( 4.332929, 0.150428, 1.382882 ) 2.19749189
Sum of centres and spreads ( 30.901500, 53.522968, 59.421002 ) 39.42567287
630 -0.475E-05 0.0069960719 39.4256728628 1.15 <-- CONV
O_D= 0.0062717 O_OD= 1.2265688 O_TOT= 39.4256729 <-- SPRD
Delta: O_D= 0.1053876E-06 O_OD= -0.4857530E-05 O_TOT= -0.4752143E-05 <-- DLTA
------------------------------------------------------------------------------
Cycle: 640
WF centre and spread 1 ( -1.236872, 5.766570, 5.136920 ) 2.18572002
WF centre and spread 2 ( -1.397124, 5.809969, 5.218900 ) 2.19767636
WF centre and spread 3 ( -1.135225, 5.702714, 5.193286 ) 2.18754335
WF centre and spread 4 ( 2.294758, 4.249489, 5.212371 ) 2.19969375
WF centre and spread 5 ( 2.066995, 4.079248, 5.195070 ) 2.18967568
WF centre and spread 6 ( 2.185505, 4.136182, 5.142114 ) 2.18155885
WF centre and spread 7 ( -0.941857, 1.993030, 5.136532 ) 2.18611903
WF centre and spread 8 ( -0.937866, 2.112062, 5.193161 ) 2.18732064
WF centre and spread 9 ( -0.899441, 1.831926, 5.219372 ) 2.19751797
WF centre and spread 10 ( 1.236872, 2.162758, 1.465414 ) 2.18571933
WF centre and spread 11 ( 1.397124, 2.119360, 1.383433 ) 2.19767573
WF centre and spread 12 ( 1.135225, 2.226614, 1.409048 ) 2.18754279
WF centre and spread 13 ( 4.572242, 3.679840, 1.389962 ) 2.19969336
WF centre and spread 14 ( 4.800005, 3.850081, 1.407264 ) 2.18967523
WF centre and spread 15 ( 4.681495, 3.793147, 1.460220 ) 2.18155783
WF centre and spread 16 ( 4.375357, -0.010699, 1.465802 ) 2.18611821
WF centre and spread 17 ( 4.371366, -0.129730, 1.409173 ) 2.18732001
WF centre and spread 18 ( 4.332941, 0.150406, 1.382961 ) 2.19751736
Sum of centres and spreads ( 30.901500, 53.522968, 59.421002 ) 39.42564550
640 -0.435E-05 0.0066932507 39.4256455007 1.17 <-- CONV
O_D= 0.0062722 O_OD= 1.2265410 O_TOT= 39.4256455 <-- SPRD
Delta: O_D= 0.9845648E-07 O_OD= -0.4449232E-05 O_TOT= -0.4350775E-05 <-- DLTA
------------------------------------------------------------------------------
Cycle: 650
WF centre and spread 1 ( -1.236914, 5.766627, 5.136973 ) 2.18566938
WF centre and spread 2 ( -1.397102, 5.809968, 5.218836 ) 2.19769598
WF centre and spread 3 ( -1.135194, 5.702654, 5.193303 ) 2.18757173
WF centre and spread 4 ( 2.294833, 4.249587, 5.212592 ) 2.19962579
WF centre and spread 5 ( 2.067147, 4.079231, 5.195009 ) 2.18963588
WF centre and spread 6 ( 2.185318, 4.136124, 5.141946 ) 2.18166007
WF centre and spread 7 ( -0.941891, 1.992953, 5.136596 ) 2.18605529
WF centre and spread 8 ( -0.937820, 2.112133, 5.193182 ) 2.18735628
WF centre and spread 9 ( -0.899453, 1.831947, 5.219295 ) 2.19754271
WF centre and spread 10 ( 1.236913, 2.162702, 1.465361 ) 2.18566870
WF centre and spread 11 ( 1.397102, 2.119361, 1.383497 ) 2.19769535
WF centre and spread 12 ( 1.135194, 2.226675, 1.409031 ) 2.18757116
WF centre and spread 13 ( 4.572168, 3.679742, 1.389742 ) 2.19962538
WF centre and spread 14 ( 4.799853, 3.850098, 1.407324 ) 2.18963544
WF centre and spread 15 ( 4.681682, 3.793205, 1.460387 ) 2.18165906
WF centre and spread 16 ( 4.375391, -0.010621, 1.465738 ) 2.18605448
WF centre and spread 17 ( 4.371320, -0.129801, 1.409152 ) 2.18735565
WF centre and spread 18 ( 4.332953, 0.150385, 1.383038 ) 2.19754210
Sum of centres and spreads ( 30.901500, 53.522968, 59.421002 ) 39.42562044
650 -0.399E-05 0.0064060754 39.4256204359 1.18 <-- CONV
O_D= 0.0062727 O_OD= 1.2265154 O_TOT= 39.4256204 <-- SPRD
Delta: O_D= 0.9204421E-07 O_OD= -0.4078504E-05 O_TOT= -0.3986460E-05 <-- DLTA
------------------------------------------------------------------------------
Cycle: 660
WF centre and spread 1 ( -1.236954, 5.766681, 5.137024 ) 2.18562044
WF centre and spread 2 ( -1.397081, 5.809967, 5.218775 ) 2.19771503
WF centre and spread 3 ( -1.135164, 5.702595, 5.193320 ) 2.18759913
WF centre and spread 4 ( 2.294903, 4.249679, 5.212800 ) 2.19956178
WF centre and spread 5 ( 2.067293, 4.079214, 5.194952 ) 2.18959627
WF centre and spread 6 ( 2.185139, 4.136070, 5.141788 ) 2.18175788
WF centre and spread 7 ( -0.941925, 1.992877, 5.136659 ) 2.18599363
WF centre and spread 8 ( -0.937776, 2.112202, 5.193203 ) 2.18739075
WF centre and spread 9 ( -0.899465, 1.831968, 5.219221 ) 2.19756671
WF centre and spread 10 ( 1.236954, 2.162648, 1.465310 ) 2.18561976
WF centre and spread 11 ( 1.397081, 2.119362, 1.383558 ) 2.19771440
WF centre and spread 12 ( 1.135164, 2.226733, 1.409014 ) 2.18759857
WF centre and spread 13 ( 4.572097, 3.679650, 1.389534 ) 2.19956137
WF centre and spread 14 ( 4.799707, 3.850115, 1.407381 ) 2.18959582
WF centre and spread 15 ( 4.681861, 3.793258, 1.460545 ) 2.18175688
WF centre and spread 16 ( 4.375425, -0.010545, 1.465675 ) 2.18599282
WF centre and spread 17 ( 4.371276, -0.129870, 1.409131 ) 2.18739012
WF centre and spread 18 ( 4.332965, 0.150364, 1.383113 ) 2.19756610
Sum of centres and spreads ( 30.901500, 53.522968, 59.421002 ) 39.42559746
660 -0.366E-05 0.0061335138 39.4255974578 1.20 <-- CONV
O_D= 0.0062731 O_OD= 1.2264921 O_TOT= 39.4255975 <-- SPRD
Delta: O_D= 0.8610220E-07 O_OD= -0.3741486E-05 O_TOT= -0.3655384E-05 <-- DLTA
------------------------------------------------------------------------------
Cycle: 670
WF centre and spread 1 ( -1.236994, 5.766734, 5.137074 ) 2.18557314
WF centre and spread 2 ( -1.397061, 5.809966, 5.218715 ) 2.19773351
WF centre and spread 3 ( -1.135136, 5.702538, 5.193337 ) 2.18762560
WF centre and spread 4 ( 2.294969, 4.249765, 5.212996 ) 2.19950146
WF centre and spread 5 ( 2.067434, 4.079199, 5.194899 ) 2.18955699
WF centre and spread 6 ( 2.184968, 4.136020, 5.141639 ) 2.18185233
WF centre and spread 7 ( -0.941957, 1.992803, 5.136719 ) 2.18593397
WF centre and spread 8 ( -0.937732, 2.112269, 5.193222 ) 2.18742409
WF centre and spread 9 ( -0.899476, 1.831988, 5.219148 ) 2.19759000
WF centre and spread 10 ( 1.236993, 2.162595, 1.465260 ) 2.18557246
WF centre and spread 11 ( 1.397061, 2.119363, 1.383618 ) 2.19773288
WF centre and spread 12 ( 1.135135, 2.226790, 1.408997 ) 2.18762503
WF centre and spread 13 ( 4.572031, 3.679564, 1.389338 ) 2.19950104
WF centre and spread 14 ( 4.799567, 3.850130, 1.407435 ) 2.18955654
WF centre and spread 15 ( 4.682032, 3.793308, 1.460695 ) 2.18185135
WF centre and spread 16 ( 4.375457, -0.010472, 1.465614 ) 2.18593316
WF centre and spread 17 ( 4.371233, -0.129937, 1.409111 ) 2.18742346
WF centre and spread 18 ( 4.332976, 0.150344, 1.383185 ) 2.19758939
Sum of centres and spreads ( 30.901500, 53.522968, 59.421002 ) 39.42557638
670 -0.335E-05 0.0058746087 39.4255763777 1.21 <-- CONV
O_D= 0.0062735 O_OD= 1.2264706 O_TOT= 39.4255764 <-- SPRD
Delta: O_D= 0.8058580E-07 O_OD= -0.3434735E-05 O_TOT= -0.3354149E-05 <-- DLTA
------------------------------------------------------------------------------
Cycle: 680
WF centre and spread 1 ( -1.237032, 5.766785, 5.137122 ) 2.18552744
WF centre and spread 2 ( -1.397041, 5.809964, 5.218657 ) 2.19775143
WF centre and spread 3 ( -1.135108, 5.702483, 5.193352 ) 2.18765115
WF centre and spread 4 ( 2.295031, 4.249845, 5.213181 ) 2.19944454
WF centre and spread 5 ( 2.067568, 4.079184, 5.194848 ) 2.18951817
WF centre and spread 6 ( 2.184804, 4.135974, 5.141497 ) 2.18194349
WF centre and spread 7 ( -0.941988, 1.992732, 5.136778 ) 2.18587626
WF centre and spread 8 ( -0.937691, 2.112334, 5.193242 ) 2.18745632
WF centre and spread 9 ( -0.899487, 1.832009, 5.219078 ) 2.19761260
WF centre and spread 10 ( 1.237031, 2.162544, 1.465212 ) 2.18552676
WF centre and spread 11 ( 1.397041, 2.119364, 1.383676 ) 2.19775080
WF centre and spread 12 ( 1.135108, 2.226845, 1.408981 ) 2.18765058
WF centre and spread 13 ( 4.571969, 3.679484, 1.389153 ) 2.19944411
WF centre and spread 14 ( 4.799432, 3.850145, 1.407486 ) 2.18951772
WF centre and spread 15 ( 4.682196, 3.793355, 1.460836 ) 2.18194252
WF centre and spread 16 ( 4.375488, -0.010400, 1.465555 ) 2.18587545
WF centre and spread 17 ( 4.371191, -0.130002, 1.409092 ) 2.18745569
WF centre and spread 18 ( 4.332987, 0.150323, 1.383256 ) 2.19761199
Sum of centres and spreads ( 30.901500, 53.522968, 59.421002 ) 39.42555703
680 -0.308E-05 0.0056284818 39.4255570256 1.23 <-- CONV
O_D= 0.0062738 O_OD= 1.2264509 O_TOT= 39.4255570 <-- SPRD
Delta: O_D= 0.7545683E-07 O_OD= -0.3155218E-05 O_TOT= -0.3079761E-05 <-- DLTA
------------------------------------------------------------------------------
Cycle: 690
WF centre and spread 1 ( -1.237069, 5.766835, 5.137168 ) 2.18548328
WF centre and spread 2 ( -1.397021, 5.809963, 5.218601 ) 2.19776881
WF centre and spread 3 ( -1.135081, 5.702430, 5.193368 ) 2.18767581
WF centre and spread 4 ( 2.295089, 4.249921, 5.213356 ) 2.19939080
WF centre and spread 5 ( 2.067697, 4.079170, 5.194800 ) 2.18947992
WF centre and spread 6 ( 2.184648, 4.135930, 5.141363 ) 2.18203143
WF centre and spread 7 ( -0.942019, 1.992662, 5.136835 ) 2.18582045
WF centre and spread 8 ( -0.937650, 2.112397, 5.193260 ) 2.18748749
WF centre and spread 9 ( -0.899498, 1.832029, 5.219009 ) 2.19763451
WF centre and spread 10 ( 1.237068, 2.162494, 1.465165 ) 2.18548260
WF centre and spread 11 ( 1.397021, 2.119365, 1.383732 ) 2.19776818
WF centre and spread 12 ( 1.135081, 2.226898, 1.408966 ) 2.18767525
WF centre and spread 13 ( 4.571911, 3.679408, 1.388978 ) 2.19939036
WF centre and spread 14 ( 4.799303, 3.850159, 1.407533 ) 2.18947946
WF centre and spread 15 ( 4.682352, 3.793398, 1.460970 ) 2.18203047
WF centre and spread 16 ( 4.375519, -0.010331, 1.465498 ) 2.18581965
WF centre and spread 17 ( 4.371151, -0.130065, 1.409073 ) 2.18748686
WF centre and spread 18 ( 4.332998, 0.150303, 1.383324 ) 2.19763390
Sum of centres and spreads ( 30.901500, 53.522968, 59.421002 ) 39.42553925
690 -0.283E-05 0.0053943440 39.4255392486 1.24 <-- CONV
O_D= 0.0062742 O_OD= 1.2264328 O_TOT= 39.4255392 <-- SPRD
Delta: O_D= 0.7068086E-07 O_OD= -0.2900260E-05 O_TOT= -0.2829579E-05 <-- DLTA
------------------------------------------------------------------------------
Cycle: 700
WF centre and spread 1 ( -1.237105, 5.766883, 5.137214 ) 2.18544063
WF centre and spread 2 ( -1.397002, 5.809962, 5.218547 ) 2.19778566
WF centre and spread 3 ( -1.135055, 5.702379, 5.193383 ) 2.18769962
WF centre and spread 4 ( 2.295144, 4.249992, 5.213521 ) 2.19934000
WF centre and spread 5 ( 2.067821, 4.079157, 5.194755 ) 2.18944233
WF centre and spread 6 ( 2.184498, 4.135890, 5.141236 ) 2.18211623
WF centre and spread 7 ( -0.942048, 1.992595, 5.136891 ) 2.18576649
WF centre and spread 8 ( -0.937611, 2.112458, 5.193279 ) 2.18751762
WF centre and spread 9 ( -0.899508, 1.832049, 5.218943 ) 2.19765576
WF centre and spread 10 ( 1.237104, 2.162446, 1.465120 ) 2.18543995
WF centre and spread 11 ( 1.397002, 2.119367, 1.383786 ) 2.19778503
WF centre and spread 12 ( 1.135055, 2.226949, 1.408951 ) 2.18769906
WF centre and spread 13 ( 4.571856, 3.679337, 1.388813 ) 2.19933956
WF centre and spread 14 ( 4.799179, 3.850172, 1.407579 ) 2.18944187
WF centre and spread 15 ( 4.682502, 3.793439, 1.461097 ) 2.18211527
WF centre and spread 16 ( 4.375548, -0.010263, 1.465443 ) 2.18576569
WF centre and spread 17 ( 4.371111, -0.130126, 1.409055 ) 2.18751698
WF centre and spread 18 ( 4.333008, 0.150283, 1.383391 ) 2.19765515
Sum of centres and spreads ( 30.901500, 53.522968, 59.421002 ) 39.42552291
700 -0.260E-05 0.0051714344 39.4255229087 1.27 <-- CONV
O_D= 0.0062745 O_OD= 1.2264161 O_TOT= 39.4255229 <-- SPRD
Delta: O_D= 0.6622617E-07 O_OD= -0.2667434E-05 O_TOT= -0.2601208E-05 <-- DLTA
------------------------------------------------------------------------------
Writing checkpoint file wann.chk... done
Cycle: 710
WF centre and spread 1 ( -1.237140, 5.766929, 5.137257 ) 2.18539943
WF centre and spread 2 ( -1.396983, 5.809961, 5.218494 ) 2.19780200
WF centre and spread 3 ( -1.135030, 5.702329, 5.193397 ) 2.18772261
WF centre and spread 4 ( 2.295196, 4.250059, 5.213677 ) 2.19929195
WF centre and spread 5 ( 2.067940, 4.079145, 5.194712 ) 2.18940547
WF centre and spread 6 ( 2.184355, 4.135852, 5.141116 ) 2.18219797
WF centre and spread 7 ( -0.942076, 1.992529, 5.136944 ) 2.18571432
WF centre and spread 8 ( -0.937573, 2.112516, 5.193296 ) 2.18754673
WF centre and spread 9 ( -0.899519, 1.832068, 5.218878 ) 2.19767636
WF centre and spread 10 ( 1.237139, 2.162400, 1.465077 ) 2.18539876
WF centre and spread 11 ( 1.396983, 2.119368, 1.383839 ) 2.19780136
WF centre and spread 12 ( 1.135030, 2.226999, 1.408936 ) 2.18772204
WF centre and spread 13 ( 4.571804, 3.679270, 1.388656 ) 2.19929149
WF centre and spread 14 ( 4.799060, 3.850184, 1.407621 ) 2.18940501
WF centre and spread 15 ( 4.682645, 3.793477, 1.461218 ) 2.18219703
WF centre and spread 16 ( 4.375576, -0.010197, 1.465389 ) 2.18571352
WF centre and spread 17 ( 4.371073, -0.130184, 1.409037 ) 2.18754610
WF centre and spread 18 ( 4.333019, 0.150264, 1.383455 ) 2.19767575
Sum of centres and spreads ( 30.901500, 53.522968, 59.421002 ) 39.42550788
710 -0.239E-05 0.0049590822 39.4255078815 1.30 <-- CONV
O_D= 0.0062748 O_OD= 1.2264008 O_TOT= 39.4255079 <-- SPRD
Delta: O_D= 0.6206588E-07 O_OD= -0.2454624E-05 O_TOT= -0.2392558E-05 <-- DLTA
------------------------------------------------------------------------------
Cycle: 720
WF centre and spread 1 ( -1.237174, 5.766974, 5.137299 ) 2.18535965
WF centre and spread 2 ( -1.396964, 5.809959, 5.218443 ) 2.19781782
WF centre and spread 3 ( -1.135006, 5.702282, 5.193411 ) 2.18774479
WF centre and spread 4 ( 2.295245, 4.250121, 5.213825 ) 2.19924645
WF centre and spread 5 ( 2.068055, 4.079133, 5.194672 ) 2.18936940
WF centre and spread 6 ( 2.184219, 4.135817, 5.141001 ) 2.18227674
WF centre and spread 7 ( -0.942104, 1.992465, 5.136997 ) 2.18566389
WF centre and spread 8 ( -0.937536, 2.112573, 5.193313 ) 2.18757487
WF centre and spread 9 ( -0.899528, 1.832088, 5.218815 ) 2.19769632
WF centre and spread 10 ( 1.237173, 2.162355, 1.465034 ) 2.18535897
WF centre and spread 11 ( 1.396964, 2.119369, 1.383890 ) 2.19781719
WF centre and spread 12 ( 1.135006, 2.227047, 1.408922 ) 2.18774422
WF centre and spread 13 ( 4.571755, 3.679207, 1.388508 ) 2.19924599
WF centre and spread 14 ( 4.798946, 3.850196, 1.407662 ) 2.18936893
WF centre and spread 15 ( 4.682782, 3.793512, 1.461332 ) 2.18227580
WF centre and spread 16 ( 4.375604, -0.010134, 1.465337 ) 2.18566309
WF centre and spread 17 ( 4.371037, -0.130241, 1.409020 ) 2.18757423
WF centre and spread 18 ( 4.333028, 0.150244, 1.383518 ) 2.19769571
Sum of centres and spreads ( 30.901500, 53.522968, 59.421002 ) 39.42549406
720 -0.220E-05 0.0047566532 39.4254940543 1.34 <-- CONV
O_D= 0.0062751 O_OD= 1.2263867 O_TOT= 39.4254941 <-- SPRD
Delta: O_D= 0.5817678E-07 O_OD= -0.2259938E-05 O_TOT= -0.2201761E-05 <-- DLTA
------------------------------------------------------------------------------
Cycle: 730
WF centre and spread 1 ( -1.237207, 5.767017, 5.137340 ) 2.18532123
WF centre and spread 2 ( -1.396947, 5.809958, 5.218394 ) 2.19783315
WF centre and spread 3 ( -1.134983, 5.702235, 5.193425 ) 2.18776619
WF centre and spread 4 ( 2.295291, 4.250180, 5.213965 ) 2.19920334
WF centre and spread 5 ( 2.068164, 4.079122, 5.194634 ) 2.18933417
WF centre and spread 6 ( 2.184088, 4.135783, 5.140893 ) 2.18235261
WF centre and spread 7 ( -0.942130, 1.992403, 5.137047 ) 2.18561515
WF centre and spread 8 ( -0.937501, 2.112628, 5.193330 ) 2.18760205
WF centre and spread 9 ( -0.899538, 1.832107, 5.218755 ) 2.19771567
WF centre and spread 10 ( 1.237206, 2.162312, 1.464993 ) 2.18532055
WF centre and spread 11 ( 1.396946, 2.119371, 1.383939 ) 2.19783251
WF centre and spread 12 ( 1.134982, 2.227093, 1.408909 ) 2.18776563
WF centre and spread 13 ( 4.571709, 3.679148, 1.388368 ) 2.19920287
WF centre and spread 14 ( 4.798836, 3.850207, 1.407700 ) 2.18933370
WF centre and spread 15 ( 4.682913, 3.793546, 1.461441 ) 2.18235169
WF centre and spread 16 ( 4.375630, -0.010072, 1.465287 ) 2.18561435
WF centre and spread 17 ( 4.371001, -0.130296, 1.409004 ) 2.18760141
WF centre and spread 18 ( 4.333038, 0.150226, 1.383578 ) 2.19771505
Sum of centres and spreads ( 30.901500, 53.522968, 59.421002 ) 39.42548133
730 -0.203E-05 0.0045635657 39.4254813251 1.36 <-- CONV
O_D= 0.0062753 O_OD= 1.2263737 O_TOT= 39.4254813 <-- SPRD
Delta: O_D= 0.5453570E-07 O_OD= -0.2081664E-05 O_TOT= -0.2027128E-05 <-- DLTA
------------------------------------------------------------------------------
Cycle: 740
WF centre and spread 1 ( -1.237239, 5.767059, 5.137380 ) 2.18528413
WF centre and spread 2 ( -1.396929, 5.809957, 5.218346 ) 2.19784800
WF centre and spread 3 ( -1.134960, 5.702190, 5.193438 ) 2.18778685
WF centre and spread 4 ( 2.295335, 4.250236, 5.214098 ) 2.19916246
WF centre and spread 5 ( 2.068269, 4.079112, 5.194598 ) 2.18929981
WF centre and spread 6 ( 2.183962, 4.135752, 5.140789 ) 2.18242569
WF centre and spread 7 ( -0.942155, 1.992343, 5.137096 ) 2.18556805
WF centre and spread 8 ( -0.937466, 2.112681, 5.193346 ) 2.18762831
WF centre and spread 9 ( -0.899547, 1.832125, 5.218696 ) 2.19773441
WF centre and spread 10 ( 1.237238, 2.162270, 1.464954 ) 2.18528345
WF centre and spread 11 ( 1.396929, 2.119372, 1.383987 ) 2.19784736
WF centre and spread 12 ( 1.134960, 2.227138, 1.408895 ) 2.18778628
WF centre and spread 13 ( 4.571665, 3.679093, 1.388235 ) 2.19916199
WF centre and spread 14 ( 4.798731, 3.850217, 1.407736 ) 2.18929933
WF centre and spread 15 ( 4.683038, 3.793577, 1.461544 ) 2.18242477
WF centre and spread 16 ( 4.375655, -0.010012, 1.465238 ) 2.18556725
WF centre and spread 17 ( 4.370967, -0.130349, 1.408988 ) 2.18762767
WF centre and spread 18 ( 4.333047, 0.150207, 1.383637 ) 2.19773379
Sum of centres and spreads ( 30.901500, 53.522968, 59.421002 ) 39.42546960
740 -0.187E-05 0.0043792869 39.4254696014 1.37 <-- CONV
O_D= 0.0062756 O_OD= 1.2263617 O_TOT= 39.4254696 <-- SPRD
Delta: O_D= 0.5112303E-07 O_OD= -0.1918291E-05 O_TOT= -0.1867168E-05 <-- DLTA
------------------------------------------------------------------------------
Cycle: 750
WF centre and spread 1 ( -1.237270, 5.767100, 5.137418 ) 2.18524831
WF centre and spread 2 ( -1.396912, 5.809956, 5.218300 ) 2.19786238
WF centre and spread 3 ( -1.134938, 5.702147, 5.193451 ) 2.18780678
WF centre and spread 4 ( 2.295376, 4.250289, 5.214225 ) 2.19912366
WF centre and spread 5 ( 2.068370, 4.079102, 5.194563 ) 2.18926634
WF centre and spread 6 ( 2.183843, 4.135723, 5.140691 ) 2.18249605
WF centre and spread 7 ( -0.942180, 1.992285, 5.137143 ) 2.18552254
WF centre and spread 8 ( -0.937433, 2.112732, 5.193362 ) 2.18765367
WF centre and spread 9 ( -0.899557, 1.832143, 5.218639 ) 2.19775256
WF centre and spread 10 ( 1.237269, 2.162229, 1.464915 ) 2.18524764
WF centre and spread 11 ( 1.396912, 2.119373, 1.384033 ) 2.19786174
WF centre and spread 12 ( 1.134938, 2.227181, 1.408883 ) 2.18780621
WF centre and spread 13 ( 4.571624, 3.679040, 1.388109 ) 2.19912318
WF centre and spread 14 ( 4.798630, 3.850227, 1.407770 ) 2.18926586
WF centre and spread 15 ( 4.683158, 3.793606, 1.461642 ) 2.18249514
WF centre and spread 16 ( 4.375680, -0.009954, 1.465190 ) 2.18552174
WF centre and spread 17 ( 4.370933, -0.130400, 1.408972 ) 2.18765304
WF centre and spread 18 ( 4.333057, 0.150189, 1.383694 ) 2.19775195
Sum of centres and spreads ( 30.901500, 53.522968, 59.421002 ) 39.42545880
750 -0.172E-05 0.0042033102 39.4254587993 1.39 <-- CONV
O_D= 0.0062758 O_OD= 1.2263507 O_TOT= 39.4254588 <-- SPRD
Delta: O_D= 0.4792238E-07 O_OD= -0.1768459E-05 O_TOT= -0.1720536E-05 <-- DLTA
------------------------------------------------------------------------------
Cycle: 760
WF centre and spread 1 ( -1.237300, 5.767139, 5.137455 ) 2.18521374
WF centre and spread 2 ( -1.396895, 5.809954, 5.218255 ) 2.19787629
WF centre and spread 3 ( -1.134917, 5.702105, 5.193463 ) 2.18782600
WF centre and spread 4 ( 2.295415, 4.250338, 5.214345 ) 2.19908681
WF centre and spread 5 ( 2.068467, 4.079093, 5.194531 ) 2.18923380
WF centre and spread 6 ( 2.183728, 4.135695, 5.140598 ) 2.18256379
WF centre and spread 7 ( -0.942204, 1.992229, 5.137189 ) 2.18547857
WF centre and spread 8 ( -0.937401, 2.112782, 5.193377 ) 2.18767816
WF centre and spread 9 ( -0.899565, 1.832161, 5.218583 ) 2.19777014
WF centre and spread 10 ( 1.237299, 2.162190, 1.464878 ) 2.18521307
WF centre and spread 11 ( 1.396895, 2.119374, 1.384078 ) 2.19787566
WF centre and spread 12 ( 1.134917, 2.227223, 1.408870 ) 2.18782544
WF centre and spread 13 ( 4.571585, 3.678990, 1.387989 ) 2.19908633
WF centre and spread 14 ( 4.798533, 3.850236, 1.407803 ) 2.18923331
WF centre and spread 15 ( 4.683272, 3.793634, 1.461736 ) 2.18256289
WF centre and spread 16 ( 4.375704, -0.009897, 1.465145 ) 2.18547778
WF centre and spread 17 ( 4.370901, -0.130449, 1.408957 ) 2.18767753
WF centre and spread 18 ( 4.333065, 0.150171, 1.383750 ) 2.19776953
Sum of centres and spreads ( 30.901500, 53.522968, 59.421002 ) 39.42544884
760 -0.159E-05 0.0040351720 39.4254488423 1.41 <-- CONV
O_D= 0.0062760 O_OD= 1.2263405 O_TOT= 39.4254488 <-- SPRD
Delta: O_D= 0.4491721E-07 O_OD= -0.1630935E-05 O_TOT= -0.1586018E-05 <-- DLTA
------------------------------------------------------------------------------
Cycle: 770
WF centre and spread 1 ( -1.237329, 5.767177, 5.137491 ) 2.18518037
WF centre and spread 2 ( -1.396879, 5.809953, 5.218212 ) 2.19788977
WF centre and spread 3 ( -1.134897, 5.702065, 5.193475 ) 2.18784455
WF centre and spread 4 ( 2.295452, 4.250385, 5.214459 ) 2.19905180
WF centre and spread 5 ( 2.068560, 4.079084, 5.194500 ) 2.18920217
WF centre and spread 6 ( 2.183618, 4.135669, 5.140509 ) 2.18262899
WF centre and spread 7 ( -0.942227, 1.992174, 5.137234 ) 2.18543610
WF centre and spread 8 ( -0.937369, 2.112829, 5.193392 ) 2.18770182
WF centre and spread 9 ( -0.899574, 1.832178, 5.218530 ) 2.19778717
WF centre and spread 10 ( 1.237328, 2.162152, 1.464842 ) 2.18517970
WF centre and spread 11 ( 1.396879, 2.119376, 1.384121 ) 2.19788913
WF centre and spread 12 ( 1.134897, 2.227263, 1.408858 ) 2.18784399
WF centre and spread 13 ( 4.571548, 3.678943, 1.387875 ) 2.19905130
WF centre and spread 14 ( 4.798440, 3.850245, 1.407834 ) 2.18920169
WF centre and spread 15 ( 4.683382, 3.793660, 1.461825 ) 2.18262809
WF centre and spread 16 ( 4.375727, -0.009843, 1.465100 ) 2.18543531
WF centre and spread 17 ( 4.370870, -0.130497, 1.408942 ) 2.18770118
WF centre and spread 18 ( 4.333074, 0.150154, 1.383803 ) 2.19778655
Sum of centres and spreads ( 30.901500, 53.522968, 59.421002 ) 39.42543966
770 -0.146E-05 0.0038744759 39.4254396610 1.42 <-- CONV
O_D= 0.0062762 O_OD= 1.2263311 O_TOT= 39.4254397 <-- SPRD
Delta: O_D= 0.4209358E-07 O_OD= -0.1504644E-05 O_TOT= -0.1462550E-05 <-- DLTA
------------------------------------------------------------------------------
Cycle: 780
WF centre and spread 1 ( -1.237357, 5.767214, 5.137526 ) 2.18514816
WF centre and spread 2 ( -1.396863, 5.809952, 5.218170 ) 2.19790281
WF centre and spread 3 ( -1.134878, 5.702026, 5.193487 ) 2.18786245
WF centre and spread 4 ( 2.295487, 4.250430, 5.214567 ) 2.19901849
WF centre and spread 5 ( 2.068650, 4.079075, 5.194470 ) 2.18917148
WF centre and spread 6 ( 2.183513, 4.135645, 5.140424 ) 2.18269173
WF centre and spread 7 ( -0.942249, 1.992121, 5.137277 ) 2.18539508
WF centre and spread 8 ( -0.937339, 2.112876, 5.193406 ) 2.18772465
WF centre and spread 9 ( -0.899582, 1.832195, 5.218478 ) 2.19780365
WF centre and spread 10 ( 1.237356, 2.162115, 1.464808 ) 2.18514749
WF centre and spread 11 ( 1.396863, 2.119377, 1.384163 ) 2.19790217
WF centre and spread 12 ( 1.134877, 2.227302, 1.408847 ) 2.18786188
WF centre and spread 13 ( 4.571513, 3.678899, 1.387767 ) 2.19901800
WF centre and spread 14 ( 4.798350, 3.850254, 1.407864 ) 2.18917099
WF centre and spread 15 ( 4.683487, 3.793684, 1.461909 ) 2.18269084
WF centre and spread 16 ( 4.375749, -0.009790, 1.465057 ) 2.18539429
WF centre and spread 17 ( 4.370840, -0.130544, 1.408928 ) 2.18772402
WF centre and spread 18 ( 4.333082, 0.150137, 1.383855 ) 2.19780303
Sum of centres and spreads ( 30.901500, 53.522968, 59.421002 ) 39.42543119
780 -0.135E-05 0.0037208056 39.4254311920 1.44 <-- CONV
O_D= 0.0062764 O_OD= 1.2263225 O_TOT= 39.4254312 <-- SPRD
Delta: O_D= 0.3943828E-07 O_OD= -0.1388580E-05 O_TOT= -0.1349142E-05 <-- DLTA
------------------------------------------------------------------------------
Cycle: 790
WF centre and spread 1 ( -1.237384, 5.767249, 5.137559 ) 2.18511707
WF centre and spread 2 ( -1.396848, 5.809950, 5.218129 ) 2.19791542
WF centre and spread 3 ( -1.134859, 5.701988, 5.193498 ) 2.18787970
WF centre and spread 4 ( 2.295520, 4.250472, 5.214670 ) 2.19898680
WF centre and spread 5 ( 2.068735, 4.079067, 5.194442 ) 2.18914172
WF centre and spread 6 ( 2.183412, 4.135622, 5.140344 ) 2.18275210
WF centre and spread 7 ( -0.942271, 1.992070, 5.137318 ) 2.18535547
WF centre and spread 8 ( -0.937310, 2.112920, 5.193419 ) 2.18774670
WF centre and spread 9 ( -0.899590, 1.832212, 5.218427 ) 2.19781960
WF centre and spread 10 ( 1.237384, 2.162080, 1.464774 ) 2.18511640
WF centre and spread 11 ( 1.396848, 2.119378, 1.384204 ) 2.19791479
WF centre and spread 12 ( 1.134859, 2.227340, 1.408836 ) 2.18787914
WF centre and spread 13 ( 4.571480, 3.678857, 1.387663 ) 2.19898630
WF centre and spread 14 ( 4.798265, 3.850262, 1.407892 ) 2.18914123
WF centre and spread 15 ( 4.683588, 3.793707, 1.461990 ) 2.18275122
WF centre and spread 16 ( 4.375771, -0.009738, 1.465016 ) 2.18535467
WF centre and spread 17 ( 4.370810, -0.130588, 1.408914 ) 2.18774606
WF centre and spread 18 ( 4.333090, 0.150120, 1.383906 ) 2.19781898
Sum of centres and spreads ( 30.901500, 53.522968, 59.421002 ) 39.42542338
790 -0.124E-05 0.0035737893 39.4254233776 1.46 <-- CONV
O_D= 0.0062766 O_OD= 1.2263145 O_TOT= 39.4254234 <-- SPRD
Delta: O_D= 0.3694003E-07 O_OD= -0.1281860E-05 O_TOT= -0.1244920E-05 <-- DLTA
------------------------------------------------------------------------------
Cycle: 800
WF centre and spread 1 ( -1.237411, 5.767284, 5.137592 ) 2.18508708
WF centre and spread 2 ( -1.396833, 5.809949, 5.218090 ) 2.19792763
WF centre and spread 3 ( -1.134841, 5.701952, 5.193509 ) 2.18789635
WF centre and spread 4 ( 2.295552, 4.250511, 5.214768 ) 2.19895663
WF centre and spread 5 ( 2.068818, 4.079059, 5.194415 ) 2.18911288
WF centre and spread 6 ( 2.183316, 4.135600, 5.140267 ) 2.18281019
WF centre and spread 7 ( -0.942291, 1.992020, 5.137359 ) 2.18531721
WF centre and spread 8 ( -0.937282, 2.112963, 5.193433 ) 2.18776798
WF centre and spread 9 ( -0.899598, 1.832228, 5.218379 ) 2.19783503
WF centre and spread 10 ( 1.237410, 2.162045, 1.464742 ) 2.18508641
WF centre and spread 11 ( 1.396833, 2.119380, 1.384243 ) 2.19792699
WF centre and spread 12 ( 1.134840, 2.227377, 1.408825 ) 2.18789578
WF centre and spread 13 ( 4.571448, 3.678817, 1.387565 ) 2.19895612
WF centre and spread 14 ( 4.798182, 3.850270, 1.407918 ) 2.18911238
WF centre and spread 15 ( 4.683684, 3.793729, 1.462067 ) 2.18280932
WF centre and spread 16 ( 4.375791, -0.009689, 1.464975 ) 2.18531642
WF centre and spread 17 ( 4.370782, -0.130631, 1.408901 ) 2.18776734
WF centre and spread 18 ( 4.333098, 0.150104, 1.383955 ) 2.19783441
Sum of centres and spreads ( 30.901500, 53.522968, 59.421002 ) 39.42541617
800 -0.115E-05 0.0034330906 39.4254161649 1.47 <-- CONV
O_D= 0.0062767 O_OD= 1.2263071 O_TOT= 39.4254162 <-- SPRD
Delta: O_D= 0.3458772E-07 O_OD= -0.1183671E-05 O_TOT= -0.1149083E-05 <-- DLTA
------------------------------------------------------------------------------
Writing checkpoint file wann.chk... done
Cycle: 810
WF centre and spread 1 ( -1.237436, 5.767317, 5.137623 ) 2.18505813
WF centre and spread 2 ( -1.396819, 5.809948, 5.218052 ) 2.19793944
WF centre and spread 3 ( -1.134823, 5.701916, 5.193519 ) 2.18791241
WF centre and spread 4 ( 2.295582, 4.250549, 5.214862 ) 2.19892788
WF centre and spread 5 ( 2.068897, 4.079052, 5.194390 ) 2.18908496
WF centre and spread 6 ( 2.183224, 4.135579, 5.140193 ) 2.18286607
WF centre and spread 7 ( -0.942311, 1.991972, 5.137398 ) 2.18528028
WF centre and spread 8 ( -0.937254, 2.113005, 5.193446 ) 2.18778852
WF centre and spread 9 ( -0.899606, 1.832244, 5.218331 ) 2.19784997
WF centre and spread 10 ( 1.237436, 2.162012, 1.464710 ) 2.18505746
WF centre and spread 11 ( 1.396818, 2.119381, 1.384281 ) 2.19793880
WF centre and spread 12 ( 1.134823, 2.227412, 1.408814 ) 2.18791184
WF centre and spread 13 ( 4.571418, 3.678780, 1.387472 ) 2.19892737
WF centre and spread 14 ( 4.798103, 3.850277, 1.407944 ) 2.18908446
WF centre and spread 15 ( 4.683777, 3.793750, 1.462140 ) 2.18286521
WF centre and spread 16 ( 4.375811, -0.009641, 1.464936 ) 2.18527948
WF centre and spread 17 ( 4.370755, -0.130673, 1.408888 ) 2.18778788
WF centre and spread 18 ( 4.333106, 0.150088, 1.384002 ) 2.19784935
Sum of centres and spreads ( 30.901500, 53.522968, 59.421002 ) 39.42540951
810 -0.106E-05 0.0032983916 39.4254095058 1.49 <-- CONV
O_D= 0.0062769 O_OD= 1.2263003 O_TOT= 39.4254095 <-- SPRD
Delta: O_D= 0.3237200E-07 O_OD= -0.1093286E-05 O_TOT= -0.1060914E-05 <-- DLTA
------------------------------------------------------------------------------
Cycle: 820
WF centre and spread 1 ( -1.237461, 5.767349, 5.137654 ) 2.18503021
WF centre and spread 2 ( -1.396804, 5.809946, 5.218015 ) 2.19795085
WF centre and spread 3 ( -1.134806, 5.701883, 5.193529 ) 2.18792789
WF centre and spread 4 ( 2.295610, 4.250585, 5.214951 ) 2.19890048
WF centre and spread 5 ( 2.068972, 4.079045, 5.194366 ) 2.18905794
WF centre and spread 6 ( 2.183135, 4.135560, 5.140123 ) 2.18291983
WF centre and spread 7 ( -0.942331, 1.991925, 5.137435 ) 2.18524462
WF centre and spread 8 ( -0.937228, 2.113045, 5.193458 ) 2.18780835
WF centre and spread 9 ( -0.899613, 1.832259, 5.218286 ) 2.19786442
WF centre and spread 10 ( 1.237460, 2.161980, 1.464680 ) 2.18502954
WF centre and spread 11 ( 1.396804, 2.119382, 1.384318 ) 2.19795022
WF centre and spread 12 ( 1.134806, 2.227446, 1.408804 ) 2.18792732
WF centre and spread 13 ( 4.571390, 3.678744, 1.387383 ) 2.19889996
WF centre and spread 14 ( 4.798028, 3.850284, 1.407968 ) 2.18905744
WF centre and spread 15 ( 4.683865, 3.793769, 1.462210 ) 2.18291898
WF centre and spread 16 ( 4.375831, -0.009594, 1.464898 ) 2.18524382
WF centre and spread 17 ( 4.370728, -0.130713, 1.408876 ) 2.18780771
WF centre and spread 18 ( 4.333113, 0.150073, 1.384048 ) 2.19786380
Sum of centres and spreads ( 30.901500, 53.522968, 59.421002 ) 39.42540336
820 -0.980E-06 0.0031693850 39.4254033563 1.50 <-- CONV
O_D= 0.0062770 O_OD= 1.2262940 O_TOT= 39.4254034 <-- SPRD
Delta: O_D= 0.3028424E-07 O_OD= -0.1010044E-05 O_TOT= -0.9797600E-06 <-- DLTA
------------------------------------------------------------------------------
Cycle: 830
WF centre and spread 1 ( -1.237485, 5.767380, 5.137683 ) 2.18500327
WF centre and spread 2 ( -1.396791, 5.809945, 5.217980 ) 2.19796190
WF centre and spread 3 ( -1.134790, 5.701850, 5.193539 ) 2.18794282
WF centre and spread 4 ( 2.295637, 4.250619, 5.215036 ) 2.19887434
WF centre and spread 5 ( 2.069045, 4.079039, 5.194343 ) 2.18903181
WF centre and spread 6 ( 2.183050, 4.135542, 5.140056 ) 2.18297154
WF centre and spread 7 ( -0.942349, 1.991880, 5.137472 ) 2.18521019
WF centre and spread 8 ( -0.937202, 2.113084, 5.193470 ) 2.18782747
WF centre and spread 9 ( -0.899621, 1.832274, 5.218241 ) 2.19787840
WF centre and spread 10 ( 1.237484, 2.161949, 1.464651 ) 2.18500260
WF centre and spread 11 ( 1.396791, 2.119383, 1.384353 ) 2.19796126
WF centre and spread 12 ( 1.134790, 2.227478, 1.408795 ) 2.18794225
WF centre and spread 13 ( 4.571363, 3.678710, 1.387298 ) 2.19887383
WF centre and spread 14 ( 4.797955, 3.850290, 1.407991 ) 2.18903130
WF centre and spread 15 ( 4.683950, 3.793787, 1.462277 ) 2.18297069
WF centre and spread 16 ( 4.375849, -0.009549, 1.464862 ) 2.18520940
WF centre and spread 17 ( 4.370703, -0.130752, 1.408863 ) 2.18782684
WF centre and spread 18 ( 4.333121, 0.150058, 1.384092 ) 2.19787778
Sum of centres and spreads ( 30.901500, 53.522968, 59.421002 ) 39.42539768
830 -0.905E-06 0.0030457833 39.4253976758 1.52 <-- CONV
O_D= 0.0062772 O_OD= 1.2262882 O_TOT= 39.4253977 <-- SPRD
Delta: O_D= 0.2831487E-07 O_OD= -0.9333431E-06 O_TOT= -0.9050282E-06 <-- DLTA
------------------------------------------------------------------------------
Cycle: 840
WF centre and spread 1 ( -1.237508, 5.767410, 5.137711 ) 2.18497728
WF centre and spread 2 ( -1.396777, 5.809944, 5.217946 ) 2.19797257
WF centre and spread 3 ( -1.134774, 5.701818, 5.193549 ) 2.18795721
WF centre and spread 4 ( 2.295663, 4.250651, 5.215117 ) 2.19884941
WF centre and spread 5 ( 2.069115, 4.079032, 5.194321 ) 2.18900656
WF centre and spread 6 ( 2.182969, 4.135524, 5.139992 ) 2.18302128
WF centre and spread 7 ( -0.942367, 1.991836, 5.137507 ) 2.18517696
WF centre and spread 8 ( -0.937178, 2.113122, 5.193482 ) 2.18784593
WF centre and spread 9 ( -0.899628, 1.832289, 5.218198 ) 2.19789192
WF centre and spread 10 ( 1.237507, 2.161919, 1.464623 ) 2.18497661
WF centre and spread 11 ( 1.396777, 2.119385, 1.384387 ) 2.19797193
WF centre and spread 12 ( 1.134774, 2.227510, 1.408785 ) 2.18795664
WF centre and spread 13 ( 4.571338, 3.678678, 1.387217 ) 2.19884889
WF centre and spread 14 ( 4.797885, 3.850296, 1.408013 ) 2.18900604
WF centre and spread 15 ( 4.684031, 3.793805, 1.462341 ) 2.18302044
WF centre and spread 16 ( 4.375867, -0.009505, 1.464827 ) 2.18517617
WF centre and spread 17 ( 4.370678, -0.130790, 1.408852 ) 2.18784529
WF centre and spread 18 ( 4.333128, 0.150043, 1.384135 ) 2.19789129
Sum of centres and spreads ( 30.901500, 53.522968, 59.421002 ) 39.42539243
840 -0.836E-06 0.0029273434 39.4253924275 1.54 <-- CONV
O_D= 0.0062773 O_OD= 1.2262828 O_TOT= 39.4253924 <-- SPRD
Delta: O_D= 0.2645821E-07 O_OD= -0.8626477E-06 O_TOT= -0.8361895E-06 <-- DLTA
------------------------------------------------------------------------------
Cycle: 850
WF centre and spread 1 ( -1.237531, 5.767438, 5.137738 ) 2.18495221
WF centre and spread 2 ( -1.396765, 5.809943, 5.217912 ) 2.19798289
WF centre and spread 3 ( -1.134759, 5.701788, 5.193558 ) 2.18797109
WF centre and spread 4 ( 2.295687, 4.250682, 5.215194 ) 2.19882560
WF centre and spread 5 ( 2.069182, 4.079027, 5.194300 ) 2.18898215
WF centre and spread 6 ( 2.182891, 4.135508, 5.139931 ) 2.18306912
WF centre and spread 7 ( -0.942385, 1.991794, 5.137541 ) 2.18514489
WF centre and spread 8 ( -0.937154, 2.113158, 5.193493 ) 2.18786374
WF centre and spread 9 ( -0.899634, 1.832303, 5.218157 ) 2.19790499
WF centre and spread 10 ( 1.237530, 2.161891, 1.464595 ) 2.18495154
WF centre and spread 11 ( 1.396764, 2.119386, 1.384421 ) 2.19798225
WF centre and spread 12 ( 1.134759, 2.227541, 1.408776 ) 2.18797052
WF centre and spread 13 ( 4.571313, 3.678647, 1.387139 ) 2.19882508
WF centre and spread 14 ( 4.797818, 3.850302, 1.408034 ) 2.18898164
WF centre and spread 15 ( 4.684109, 3.793821, 1.462402 ) 2.18306829
WF centre and spread 16 ( 4.375885, -0.009463, 1.464793 ) 2.18514410
WF centre and spread 17 ( 4.370654, -0.130826, 1.408840 ) 2.18786310
WF centre and spread 18 ( 4.333134, 0.150029, 1.384176 ) 2.19790437
Sum of centres and spreads ( 30.901500, 53.522968, 59.421002 ) 39.42538758
850 -0.773E-06 0.0028137867 39.4253875774 1.55 <-- CONV
O_D= 0.0062774 O_OD= 1.2262778 O_TOT= 39.4253876 <-- SPRD
Delta: O_D= 0.2470743E-07 O_OD= -0.7974387E-06 O_TOT= -0.7727312E-06 <-- DLTA
------------------------------------------------------------------------------
Cycle: 860
WF centre and spread 1 ( -1.237552, 5.767466, 5.137765 ) 2.18492802
WF centre and spread 2 ( -1.396752, 5.809942, 5.217880 ) 2.19799286
WF centre and spread 3 ( -1.134744, 5.701758, 5.193567 ) 2.18798448
WF centre and spread 4 ( 2.295710, 4.250711, 5.215268 ) 2.19880287
WF centre and spread 5 ( 2.069247, 4.079021, 5.194280 ) 2.18895859
WF centre and spread 6 ( 2.182817, 4.135492, 5.139873 ) 2.18311514
WF centre and spread 7 ( -0.942401, 1.991753, 5.137574 ) 2.18511394
WF centre and spread 8 ( -0.937131, 2.113193, 5.193504 ) 2.18788092
WF centre and spread 9 ( -0.899641, 1.832317, 5.218117 ) 2.19791763
WF centre and spread 10 ( 1.237552, 2.161863, 1.464569 ) 2.18492735
WF centre and spread 11 ( 1.396752, 2.119387, 1.384453 ) 2.19799222
WF centre and spread 12 ( 1.134744, 2.227570, 1.408767 ) 2.18798391
WF centre and spread 13 ( 4.571290, 3.678618, 1.387066 ) 2.19880234
WF centre and spread 14 ( 4.797753, 3.850308, 1.408054 ) 2.18895807
WF centre and spread 15 ( 4.684184, 3.793837, 1.462461 ) 2.18311430
WF centre and spread 16 ( 4.375901, -0.009422, 1.464760 ) 2.18511315
WF centre and spread 17 ( 4.370631, -0.130861, 1.408830 ) 2.18788028
WF centre and spread 18 ( 4.333141, 0.150015, 1.384216 ) 2.19791701
Sum of centres and spreads ( 30.901500, 53.522968, 59.421002 ) 39.42538310
860 -0.714E-06 0.0027049036 39.4253830944 1.57 <-- CONV
O_D= 0.0062775 O_OD= 1.2262732 O_TOT= 39.4253831 <-- SPRD
Delta: O_D= 0.2305528E-07 O_OD= -0.7372882E-06 O_TOT= -0.7142329E-06 <-- DLTA
------------------------------------------------------------------------------
Cycle: 870
WF centre and spread 1 ( -1.237573, 5.767493, 5.137790 ) 2.18490470
WF centre and spread 2 ( -1.396740, 5.809940, 5.217849 ) 2.19800250
WF centre and spread 3 ( -1.134730, 5.701730, 5.193575 ) 2.18799738
WF centre and spread 4 ( 2.295732, 4.250738, 5.215338 ) 2.19878115
WF centre and spread 5 ( 2.069309, 4.079015, 5.194260 ) 2.18893584
WF centre and spread 6 ( 2.182745, 4.135477, 5.139817 ) 2.18315939
WF centre and spread 7 ( -0.942418, 1.991714, 5.137606 ) 2.18508408
WF centre and spread 8 ( -0.937109, 2.113227, 5.193515 ) 2.18789750
WF centre and spread 9 ( -0.899647, 1.832331, 5.218078 ) 2.19792985
WF centre and spread 10 ( 1.237573, 2.161836, 1.464543 ) 2.18490403
WF centre and spread 11 ( 1.396740, 2.119388, 1.384484 ) 2.19800186
WF centre and spread 12 ( 1.134730, 2.227599, 1.408759 ) 2.18799681
WF centre and spread 13 ( 4.571268, 3.678590, 1.386995 ) 2.19878062
WF centre and spread 14 ( 4.797691, 3.850314, 1.408073 ) 2.18893532
WF centre and spread 15 ( 4.684255, 3.793852, 1.462516 ) 2.18315856
WF centre and spread 16 ( 4.375918, -0.009382, 1.464728 ) 2.18508329
WF centre and spread 17 ( 4.370609, -0.130894, 1.408819 ) 2.18789686
WF centre and spread 18 ( 4.333147, 0.150001, 1.384255 ) 2.19792923
Sum of centres and spreads ( 30.901500, 53.522968, 59.421002 ) 39.42537895
870 -0.660E-06 0.0026005162 39.4253789500 1.59 <-- CONV
O_D= 0.0062776 O_OD= 1.2262690 O_TOT= 39.4253789 <-- SPRD
Delta: O_D= 0.2149638E-07 O_OD= -0.6817999E-06 O_TOT= -0.6603035E-06 <-- DLTA
------------------------------------------------------------------------------
Cycle: 880
WF centre and spread 1 ( -1.237593, 5.767519, 5.137815 ) 2.18488220
WF centre and spread 2 ( -1.396728, 5.809939, 5.217819 ) 2.19801181
WF centre and spread 3 ( -1.134716, 5.701702, 5.193583 ) 2.18800982
WF centre and spread 4 ( 2.295753, 4.250765, 5.215406 ) 2.19876039
WF centre and spread 5 ( 2.069368, 4.079010, 5.194242 ) 2.18891388
WF centre and spread 6 ( 2.182677, 4.135463, 5.139764 ) 2.18320195
WF centre and spread 7 ( -0.942433, 1.991675, 5.137637 ) 2.18505526
WF centre and spread 8 ( -0.937087, 2.113259, 5.193525 ) 2.18791348
WF centre and spread 9 ( -0.899653, 1.832344, 5.218041 ) 2.19794166
WF centre and spread 10 ( 1.237593, 2.161810, 1.464519 ) 2.18488153
WF centre and spread 11 ( 1.396728, 2.119389, 1.384514 ) 2.19801117
WF centre and spread 12 ( 1.134716, 2.227626, 1.408750 ) 2.18800925
WF centre and spread 13 ( 4.571247, 3.678564, 1.386928 ) 2.19875986
WF centre and spread 14 ( 4.797632, 3.850319, 1.408092 ) 2.18891336
WF centre and spread 15 ( 4.684324, 3.793866, 1.462570 ) 2.18320113
WF centre and spread 16 ( 4.375933, -0.009344, 1.464697 ) 2.18505447
WF centre and spread 17 ( 4.370588, -0.130927, 1.408809 ) 2.18791284
WF centre and spread 18 ( 4.333153, 0.149988, 1.384293 ) 2.19794104
Sum of centres and spreads ( 30.901500, 53.522968, 59.421002 ) 39.42537512
880 -0.611E-06 0.0025003646 39.4253751178 1.60 <-- CONV
O_D= 0.0062777 O_OD= 1.2262651 O_TOT= 39.4253751 <-- SPRD
Delta: O_D= 0.2002512E-07 O_OD= -0.6305676E-06 O_TOT= -0.6105425E-06 <-- DLTA
------------------------------------------------------------------------------
Cycle: 890
WF centre and spread 1 ( -1.237613, 5.767544, 5.137839 ) 2.18486051
WF centre and spread 2 ( -1.396717, 5.809938, 5.217791 ) 2.19802081
WF centre and spread 3 ( -1.134703, 5.701676, 5.193591 ) 2.18802181
WF centre and spread 4 ( 2.295773, 4.250790, 5.215470 ) 2.19874055
WF centre and spread 5 ( 2.069425, 4.079005, 5.194225 ) 2.18889270
WF centre and spread 6 ( 2.182611, 4.135450, 5.139713 ) 2.18324289
WF centre and spread 7 ( -0.942448, 1.991638, 5.137667 ) 2.18502745
WF centre and spread 8 ( -0.937066, 2.113291, 5.193535 ) 2.18792890
WF centre and spread 9 ( -0.899659, 1.832357, 5.218004 ) 2.19795308
WF centre and spread 10 ( 1.237612, 2.161785, 1.464495 ) 2.18485984
WF centre and spread 11 ( 1.396716, 2.119391, 1.384543 ) 2.19802017
WF centre and spread 12 ( 1.134703, 2.227653, 1.408742 ) 2.18802124
WF centre and spread 13 ( 4.571227, 3.678539, 1.386863 ) 2.19874001
WF centre and spread 14 ( 4.797575, 3.850324, 1.408109 ) 2.18889217
WF centre and spread 15 ( 4.684389, 3.793879, 1.462621 ) 2.18324207
WF centre and spread 16 ( 4.375948, -0.009307, 1.464667 ) 2.18502666
WF centre and spread 17 ( 4.370567, -0.130958, 1.408799 ) 2.18792826
WF centre and spread 18 ( 4.333159, 0.149975, 1.384329 ) 2.19795246
Sum of centres and spreads ( 30.901500, 53.522968, 59.421002 ) 39.42537158
890 -0.565E-06 0.0024042775 39.4253715738 1.62 <-- CONV
O_D= 0.0062778 O_OD= 1.2262614 O_TOT= 39.4253716 <-- SPRD
Delta: O_D= 0.1863779E-07 O_OD= -0.5832601E-06 O_TOT= -0.5646223E-06 <-- DLTA
------------------------------------------------------------------------------
Cycle: 900
WF centre and spread 1 ( -1.237632, 5.767569, 5.137862 ) 2.18483959
WF centre and spread 2 ( -1.396705, 5.809937, 5.217763 ) 2.19802951
WF centre and spread 3 ( -1.134691, 5.701650, 5.193599 ) 2.18803337
WF centre and spread 4 ( 2.295792, 4.250814, 5.215532 ) 2.19872157
WF centre and spread 5 ( 2.069480, 4.079001, 5.194208 ) 2.18887226
WF centre and spread 6 ( 2.182548, 4.135437, 5.139664 ) 2.18328225
WF centre and spread 7 ( -0.942463, 1.991602, 5.137696 ) 2.18500062
WF centre and spread 8 ( -0.937046, 2.113321, 5.193544 ) 2.18794377
WF centre and spread 9 ( -0.899665, 1.832369, 5.217969 ) 2.19796412
WF centre and spread 10 ( 1.237631, 2.161760, 1.464472 ) 2.18483892
WF centre and spread 11 ( 1.396705, 2.119392, 1.384570 ) 2.19802887
WF centre and spread 12 ( 1.134691, 2.227678, 1.408735 ) 2.18803280
WF centre and spread 13 ( 4.571208, 3.678515, 1.386802 ) 2.19872103
WF centre and spread 14 ( 4.797520, 3.850328, 1.408126 ) 2.18887173
WF centre and spread 15 ( 4.684452, 3.793892, 1.462670 ) 2.18328144
WF centre and spread 16 ( 4.375963, -0.009271, 1.464638 ) 2.18499983
WF centre and spread 17 ( 4.370547, -0.130989, 1.408789 ) 2.18794313
WF centre and spread 18 ( 4.333165, 0.149963, 1.384364 ) 2.19796349
Sum of centres and spreads ( 30.901500, 53.522968, 59.421002 ) 39.42536830
900 -0.522E-06 0.0023120504 39.4253682958 1.64 <-- CONV
O_D= 0.0062779 O_OD= 1.2262581 O_TOT= 39.4253683 <-- SPRD
Delta: O_D= 0.1732780E-07 O_OD= -0.5395679E-06 O_TOT= -0.5222401E-06 <-- DLTA
------------------------------------------------------------------------------
Writing checkpoint file wann.chk... done
Cycle: 910
WF centre and spread 1 ( -1.237650, 5.767592, 5.137884 ) 2.18481942
WF centre and spread 2 ( -1.396695, 5.809936, 5.217736 ) 2.19803790
WF centre and spread 3 ( -1.134678, 5.701625, 5.193606 ) 2.18804451
WF centre and spread 4 ( 2.295810, 4.250836, 5.215590 ) 2.19870340
WF centre and spread 5 ( 2.069533, 4.078996, 5.194192 ) 2.18885256
WF centre and spread 6 ( 2.182488, 4.135425, 5.139617 ) 2.18332012
WF centre and spread 7 ( -0.942477, 1.991568, 5.137724 ) 2.18497474
WF centre and spread 8 ( -0.937027, 2.113350, 5.193554 ) 2.18795811
WF centre and spread 9 ( -0.899671, 1.832382, 5.217935 ) 2.19797478
WF centre and spread 10 ( 1.237650, 2.161737, 1.464450 ) 2.18481875
WF centre and spread 11 ( 1.396695, 2.119393, 1.384597 ) 2.19803726
WF centre and spread 12 ( 1.134678, 2.227703, 1.408727 ) 2.18804394
WF centre and spread 13 ( 4.571190, 3.678492, 1.386743 ) 2.19870287
WF centre and spread 14 ( 4.797467, 3.850333, 1.408142 ) 2.18885202
WF centre and spread 15 ( 4.684513, 3.793904, 1.462717 ) 2.18331931
WF centre and spread 16 ( 4.375977, -0.009236, 1.464610 ) 2.18497396
WF centre and spread 17 ( 4.370528, -0.131018, 1.408780 ) 2.18795747
WF centre and spread 18 ( 4.333171, 0.149950, 1.384398 ) 2.19797415
Sum of centres and spreads ( 30.901500, 53.522968, 59.421002 ) 39.42536527
910 -0.483E-06 0.0022235497 39.4253652633 1.65 <-- CONV
O_D= 0.0062780 O_OD= 1.2262549 O_TOT= 39.4253653 <-- SPRD
Delta: O_D= 0.1609266E-07 O_OD= -0.4992024E-06 O_TOT= -0.4831098E-06 <-- DLTA
------------------------------------------------------------------------------
Cycle: 920
WF centre and spread 1 ( -1.237668, 5.767614, 5.137905 ) 2.18479997
WF centre and spread 2 ( -1.396684, 5.809935, 5.217709 ) 2.19804601
WF centre and spread 3 ( -1.134667, 5.701602, 5.193614 ) 2.18805525
WF centre and spread 4 ( 2.295827, 4.250858, 5.215647 ) 2.19868602
WF centre and spread 5 ( 2.069584, 4.078992, 5.194177 ) 2.18883356
WF centre and spread 6 ( 2.182430, 4.135414, 5.139572 ) 2.18335653
WF centre and spread 7 ( -0.942490, 1.991534, 5.137750 ) 2.18494978
WF centre and spread 8 ( -0.937008, 2.113378, 5.193563 ) 2.18797194
WF centre and spread 9 ( -0.899676, 1.832393, 5.217902 ) 2.19798508
WF centre and spread 10 ( 1.237667, 2.161715, 1.464428 ) 2.18479930
WF centre and spread 11 ( 1.396684, 2.119394, 1.384624 ) 2.19804537
WF centre and spread 12 ( 1.134667, 2.227727, 1.408720 ) 2.18805468
WF centre and spread 13 ( 4.571173, 3.678471, 1.386686 ) 2.19868548
WF centre and spread 14 ( 4.797416, 3.850337, 1.408157 ) 2.18883302
WF centre and spread 15 ( 4.684571, 3.793915, 1.462761 ) 2.18335573
WF centre and spread 16 ( 4.375990, -0.009203, 1.464583 ) 2.18494899
WF centre and spread 17 ( 4.370509, -0.131046, 1.408771 ) 2.18797130
WF centre and spread 18 ( 4.333176, 0.149939, 1.384431 ) 2.19798445
Sum of centres and spreads ( 30.901500, 53.522968, 59.421002 ) 39.42536246
920 -0.447E-06 0.0021385726 39.4253624577 1.67 <-- CONV
O_D= 0.0062781 O_OD= 1.2262521 O_TOT= 39.4253625 <-- SPRD
Delta: O_D= 0.1492668E-07 O_OD= -0.4619062E-06 O_TOT= -0.4469796E-06 <-- DLTA
------------------------------------------------------------------------------
Cycle: 930
WF centre and spread 1 ( -1.237685, 5.767636, 5.137926 ) 2.18478121
WF centre and spread 2 ( -1.396674, 5.809934, 5.217684 ) 2.19805385
WF centre and spread 3 ( -1.134655, 5.701579, 5.193620 ) 2.18806560
WF centre and spread 4 ( 2.295843, 4.250879, 5.215701 ) 2.19866938
WF centre and spread 5 ( 2.069632, 4.078988, 5.194162 ) 2.18881524
WF centre and spread 6 ( 2.182374, 4.135403, 5.139529 ) 2.18339155
WF centre and spread 7 ( -0.942503, 1.991502, 5.137776 ) 2.18492570
WF centre and spread 8 ( -0.936990, 2.113406, 5.193571 ) 2.18798528
WF centre and spread 9 ( -0.899681, 1.832405, 5.217871 ) 2.19799503
WF centre and spread 10 ( 1.237685, 2.161693, 1.464408 ) 2.18478054
WF centre and spread 11 ( 1.396674, 2.119395, 1.384649 ) 2.19805321
WF centre and spread 12 ( 1.134655, 2.227750, 1.408713 ) 2.18806503
WF centre and spread 13 ( 4.571157, 3.678450, 1.386632 ) 2.19866884
WF centre and spread 14 ( 4.797368, 3.850341, 1.408172 ) 2.18881470
WF centre and spread 15 ( 4.684626, 3.793926, 1.462804 ) 2.18339075
WF centre and spread 16 ( 4.376003, -0.009170, 1.464557 ) 2.18492491
WF centre and spread 17 ( 4.370491, -0.131073, 1.408762 ) 2.18798464
WF centre and spread 18 ( 4.333181, 0.149927, 1.384462 ) 2.19799440
Sum of centres and spreads ( 30.901500, 53.522968, 59.421002 ) 39.42535986
930 -0.414E-06 0.0020569824 39.4253598615 1.68 <-- CONV
O_D= 0.0062782 O_OD= 1.2262494 O_TOT= 39.4253599 <-- SPRD
Delta: O_D= 0.1382726E-07 O_OD= -0.4274205E-06 O_TOT= -0.4135932E-06 <-- DLTA
------------------------------------------------------------------------------
Cycle: 940
WF centre and spread 1 ( -1.237702, 5.767657, 5.137946 ) 2.18476313
WF centre and spread 2 ( -1.396664, 5.809933, 5.217660 ) 2.19806141
WF centre and spread 3 ( -1.134644, 5.701557, 5.193627 ) 2.18807557
WF centre and spread 4 ( 2.295859, 4.250898, 5.215752 ) 2.19865345
WF centre and spread 5 ( 2.069679, 4.078984, 5.194148 ) 2.18879759
WF centre and spread 6 ( 2.182321, 4.135392, 5.139488 ) 2.18342523
WF centre and spread 7 ( -0.942516, 1.991470, 5.137802 ) 2.18490247
WF centre and spread 8 ( -0.936973, 2.113432, 5.193580 ) 2.18799814
WF centre and spread 9 ( -0.899686, 1.832416, 5.217840 ) 2.19800464
WF centre and spread 10 ( 1.237701, 2.161672, 1.464388 ) 2.18476246
WF centre and spread 11 ( 1.396664, 2.119396, 1.384673 ) 2.19806077
WF centre and spread 12 ( 1.134644, 2.227772, 1.408707 ) 2.18807500
WF centre and spread 13 ( 4.571141, 3.678430, 1.386581 ) 2.19865290
WF centre and spread 14 ( 4.797321, 3.850345, 1.408186 ) 2.18879705
WF centre and spread 15 ( 4.684680, 3.793937, 1.462845 ) 2.18342444
WF centre and spread 16 ( 4.376016, -0.009139, 1.464532 ) 2.18490169
WF centre and spread 17 ( 4.370473, -0.131100, 1.408754 ) 2.18799750
WF centre and spread 18 ( 4.333186, 0.149916, 1.384493 ) 2.19800401
Sum of centres and spreads ( 30.901500, 53.522968, 59.421002 ) 39.42535746
940 -0.383E-06 0.0019786320 39.4253574590 1.70 <-- CONV
O_D= 0.0062782 O_OD= 1.2262469 O_TOT= 39.4253575 <-- SPRD
Delta: O_D= 0.1279023E-07 O_OD= -0.3955470E-06 O_TOT= -0.3827567E-06 <-- DLTA
------------------------------------------------------------------------------
Cycle: 950
WF centre and spread 1 ( -1.237718, 5.767678, 5.137965 ) 2.18474570
WF centre and spread 2 ( -1.396655, 5.809932, 5.217637 ) 2.19806871
WF centre and spread 3 ( -1.134634, 5.701535, 5.193634 ) 2.18808519
WF centre and spread 4 ( 2.295874, 4.250917, 5.215802 ) 2.19863819
WF centre and spread 5 ( 2.069724, 4.078980, 5.194134 ) 2.18878057
WF centre and spread 6 ( 2.182270, 4.135382, 5.139449 ) 2.18345763
WF centre and spread 7 ( -0.942528, 1.991440, 5.137826 ) 2.18488007
WF centre and spread 8 ( -0.936956, 2.113457, 5.193588 ) 2.18801053
WF centre and spread 9 ( -0.899691, 1.832427, 5.217810 ) 2.19801393
WF centre and spread 10 ( 1.237717, 2.161651, 1.464368 ) 2.18474503
WF centre and spread 11 ( 1.396655, 2.119397, 1.384697 ) 2.19806807
WF centre and spread 12 ( 1.134634, 2.227793, 1.408700 ) 2.18808462
WF centre and spread 13 ( 4.571126, 3.678412, 1.386531 ) 2.19863764
WF centre and spread 14 ( 4.797276, 3.850349, 1.408199 ) 2.18878003
WF centre and spread 15 ( 4.684731, 3.793947, 1.462885 ) 2.18345684
WF centre and spread 16 ( 4.376028, -0.009109, 1.464508 ) 2.18487929
WF centre and spread 17 ( 4.370457, -0.131125, 1.408746 ) 2.18800989
WF centre and spread 18 ( 4.333191, 0.149905, 1.384523 ) 2.19801330
Sum of centres and spreads ( 30.901500, 53.522968, 59.421002 ) 39.42535524
950 -0.354E-06 0.0019033858 39.4253552353 1.71 <-- CONV
O_D= 0.0062783 O_OD= 1.2262446 O_TOT= 39.4253552 <-- SPRD
Delta: O_D= 0.1181203E-07 O_OD= -0.3660684E-06 O_TOT= -0.3542564E-06 <-- DLTA
------------------------------------------------------------------------------
Cycle: 960
WF centre and spread 1 ( -1.237733, 5.767697, 5.137984 ) 2.18472889
WF centre and spread 2 ( -1.396646, 5.809931, 5.217614 ) 2.19807576
WF centre and spread 3 ( -1.134624, 5.701515, 5.193640 ) 2.18809446
WF centre and spread 4 ( 2.295888, 4.250935, 5.215849 ) 2.19862357
WF centre and spread 5 ( 2.069767, 4.078977, 5.194122 ) 2.18876418
WF centre and spread 6 ( 2.182220, 4.135373, 5.139411 ) 2.18348879
WF centre and spread 7 ( -0.942540, 1.991411, 5.137849 ) 2.18485847
WF centre and spread 8 ( -0.936940, 2.113482, 5.193596 ) 2.18802249
WF centre and spread 9 ( -0.899696, 1.832437, 5.217782 ) 2.19802289
WF centre and spread 10 ( 1.237732, 2.161632, 1.464350 ) 2.18472822
WF centre and spread 11 ( 1.396646, 2.119398, 1.384719 ) 2.19807512
WF centre and spread 12 ( 1.134624, 2.227814, 1.408694 ) 2.18809389
WF centre and spread 13 ( 4.571112, 3.678394, 1.386484 ) 2.19862302
WF centre and spread 14 ( 4.797233, 3.850352, 1.408212 ) 2.18876364
WF centre and spread 15 ( 4.684780, 3.793956, 1.462922 ) 2.18348800
WF centre and spread 16 ( 4.376040, -0.009080, 1.464485 ) 2.18485768
WF centre and spread 17 ( 4.370440, -0.131150, 1.408738 ) 2.18802184
WF centre and spread 18 ( 4.333196, 0.149895, 1.384551 ) 2.19802227
Sum of centres and spreads ( 30.901500, 53.522968, 59.421002 ) 39.42535318
960 -0.328E-06 0.0018310828 39.4253531769 1.73 <-- CONV
O_D= 0.0062784 O_OD= 1.2262425 O_TOT= 39.4253532 <-- SPRD
Delta: O_D= 0.1089101E-07 O_OD= -0.3387996E-06 O_TOT= -0.3279086E-06 <-- DLTA
------------------------------------------------------------------------------
Cycle: 970
WF centre and spread 1 ( -1.237748, 5.767716, 5.138002 ) 2.18471269
WF centre and spread 2 ( -1.396637, 5.809930, 5.217592 ) 2.19808257
WF centre and spread 3 ( -1.134614, 5.701495, 5.193646 ) 2.18810339
WF centre and spread 4 ( 2.295902, 4.250952, 5.215895 ) 2.19860955
WF centre and spread 5 ( 2.069809, 4.078973, 5.194109 ) 2.18874839
WF centre and spread 6 ( 2.182173, 4.135364, 5.139375 ) 2.18351876
WF centre and spread 7 ( -0.942551, 1.991383, 5.137872 ) 2.18483764
WF centre and spread 8 ( -0.936924, 2.113505, 5.193603 ) 2.18803401
WF centre and spread 9 ( -0.899701, 1.832447, 5.217754 ) 2.19803155
WF centre and spread 10 ( 1.237747, 2.161613, 1.464332 ) 2.18471202
WF centre and spread 11 ( 1.396637, 2.119399, 1.384741 ) 2.19808193
WF centre and spread 12 ( 1.134614, 2.227834, 1.408688 ) 2.18810281
WF centre and spread 13 ( 4.571098, 3.678376, 1.386439 ) 2.19860900
WF centre and spread 14 ( 4.797191, 3.850356, 1.408224 ) 2.18874784
WF centre and spread 15 ( 4.684827, 3.793965, 1.462959 ) 2.18351798
WF centre and spread 16 ( 4.376051, -0.009051, 1.464462 ) 2.18483685
WF centre and spread 17 ( 4.370425, -0.131173, 1.408731 ) 2.18803337
WF centre and spread 18 ( 4.333201, 0.149885, 1.384579 ) 2.19803092
Sum of centres and spreads ( 30.901500, 53.522968, 59.421002 ) 39.42535127
970 -0.304E-06 0.0017616160 39.4253512714 1.74 <-- CONV
O_D= 0.0062784 O_OD= 1.2262405 O_TOT= 39.4253513 <-- SPRD
Delta: O_D= 0.1002226E-07 O_OD= -0.3135683E-06 O_TOT= -0.3035460E-06 <-- DLTA
------------------------------------------------------------------------------
Cycle: 980
WF centre and spread 1 ( -1.237762, 5.767734, 5.138019 ) 2.18469707
WF centre and spread 2 ( -1.396628, 5.809929, 5.217571 ) 2.19808914
WF centre and spread 3 ( -1.134604, 5.701476, 5.193652 ) 2.18811199
WF centre and spread 4 ( 2.295915, 4.250969, 5.215938 ) 2.19859612
WF centre and spread 5 ( 2.069849, 4.078970, 5.194097 ) 2.18873317
WF centre and spread 6 ( 2.182128, 4.135355, 5.139340 ) 2.18354759
WF centre and spread 7 ( -0.942562, 1.991356, 5.137894 ) 2.18481755
WF centre and spread 8 ( -0.936909, 2.113528, 5.193610 ) 2.18804512
WF centre and spread 9 ( -0.899705, 1.832457, 5.217727 ) 2.19803991
WF centre and spread 10 ( 1.237762, 2.161595, 1.464314 ) 2.18469641
WF centre and spread 11 ( 1.396628, 2.119400, 1.384762 ) 2.19808850
WF centre and spread 12 ( 1.134604, 2.227853, 1.408682 ) 2.18811142
WF centre and spread 13 ( 4.571085, 3.678360, 1.386395 ) 2.19859557
WF centre and spread 14 ( 4.797151, 3.850359, 1.408236 ) 2.18873262
WF centre and spread 15 ( 4.684872, 3.793974, 1.462993 ) 2.18354681
WF centre and spread 16 ( 4.376062, -0.009024, 1.464440 ) 2.18481676
WF centre and spread 17 ( 4.370410, -0.131196, 1.408723 ) 2.18804447
WF centre and spread 18 ( 4.333205, 0.149875, 1.384606 ) 2.19803929
Sum of centres and spreads ( 30.901500, 53.522968, 59.421002 ) 39.42534951
980 -0.281E-06 0.0016948698 39.4253495072 1.76 <-- CONV
O_D= 0.0062785 O_OD= 1.2262387 O_TOT= 39.4253495 <-- SPRD
Delta: O_D= 0.9203467E-08 O_OD= -0.2902215E-06 O_TOT= -0.2810180E-06 <-- DLTA
------------------------------------------------------------------------------
Cycle: 990
WF centre and spread 1 ( -1.237776, 5.767752, 5.138036 ) 2.18468202
WF centre and spread 2 ( -1.396620, 5.809928, 5.217550 ) 2.19809548
WF centre and spread 3 ( -1.134595, 5.701457, 5.193657 ) 2.18812028
WF centre and spread 4 ( 2.295927, 4.250984, 5.215980 ) 2.19858324
WF centre and spread 5 ( 2.069887, 4.078967, 5.194086 ) 2.18871851
WF centre and spread 6 ( 2.182085, 4.135347, 5.139307 ) 2.18357531
WF centre and spread 7 ( -0.942572, 1.991329, 5.137915 ) 2.18479818
WF centre and spread 8 ( -0.936895, 2.113550, 5.193617 ) 2.18805582
WF centre and spread 9 ( -0.899709, 1.832467, 5.217702 ) 2.19804799
WF centre and spread 10 ( 1.237776, 2.161577, 1.464298 ) 2.18468135
WF centre and spread 11 ( 1.396620, 2.119401, 1.384783 ) 2.19809484
WF centre and spread 12 ( 1.134595, 2.227871, 1.408676 ) 2.18811971
WF centre and spread 13 ( 4.571073, 3.678344, 1.386354 ) 2.19858269
WF centre and spread 14 ( 4.797113, 3.850362, 1.408248 ) 2.18871796
WF centre and spread 15 ( 4.684916, 3.793982, 1.463027 ) 2.18357454
WF centre and spread 16 ( 4.376072, -0.008998, 1.464419 ) 2.18479739
WF centre and spread 17 ( 4.370395, -0.131218, 1.408716 ) 2.18805518
WF centre and spread 18 ( 4.333209, 0.149865, 1.384631 ) 2.19804736
Sum of centres and spreads ( 30.901500, 53.522968, 59.421002 ) 39.42534788
990 -0.260E-06 0.0016307501 39.4253478738 1.77 <-- CONV
O_D= 0.0062785 O_OD= 1.2262370 O_TOT= 39.4253479 <-- SPRD
Delta: O_D= 0.8433385E-08 O_OD= -0.2686332E-06 O_TOT= -0.2601998E-06 <-- DLTA
------------------------------------------------------------------------------
Cycle: 1000
WF centre and spread 1 ( -1.237790, 5.767769, 5.138052 ) 2.18466751
WF centre and spread 2 ( -1.396612, 5.809927, 5.217531 ) 2.19810160
WF centre and spread 3 ( -1.134587, 5.701439, 5.193663 ) 2.18812827
WF centre and spread 4 ( 2.295939, 4.250999, 5.216020 ) 2.19857090
WF centre and spread 5 ( 2.069924, 4.078964, 5.194075 ) 2.18870440
WF centre and spread 6 ( 2.182043, 4.135339, 5.139275 ) 2.18360198
WF centre and spread 7 ( -0.942582, 1.991304, 5.137935 ) 2.18477950
WF centre and spread 8 ( -0.936880, 2.113571, 5.193624 ) 2.18806614
WF centre and spread 9 ( -0.899714, 1.832476, 5.217677 ) 2.19805578
WF centre and spread 10 ( 1.237789, 2.161560, 1.464282 ) 2.18466684
WF centre and spread 11 ( 1.396612, 2.119401, 1.384802 ) 2.19810096
WF centre and spread 12 ( 1.134586, 2.227889, 1.408671 ) 2.18812770
WF centre and spread 13 ( 4.571061, 3.678329, 1.386314 ) 2.19857034
WF centre and spread 14 ( 4.797076, 3.850365, 1.408258 ) 2.18870384
WF centre and spread 15 ( 4.684958, 3.793990, 1.463059 ) 2.18360121
WF centre and spread 16 ( 4.376082, -0.008972, 1.464399 ) 2.18477871
WF centre and spread 17 ( 4.370381, -0.131239, 1.408710 ) 2.18806550
WF centre and spread 18 ( 4.333214, 0.149856, 1.384656 ) 2.19805515
Sum of centres and spreads ( 30.901500, 53.522968, 59.421002 ) 39.42534636
1000 -0.241E-06 0.0015691047 39.4253463612 1.79 <-- CONV
O_D= 0.0062786 O_OD= 1.2262355 O_TOT= 39.4253464 <-- SPRD
Delta: O_D= 0.7707393E-08 O_OD= -0.2486471E-06 O_TOT= -0.2409397E-06 <-- DLTA
------------------------------------------------------------------------------
Writing checkpoint file wann.chk... done
Final State
WF centre and spread 1 ( -1.237790, 5.767769, 5.138052 ) 2.18466751
WF centre and spread 2 ( -1.396612, 5.809927, 5.217531 ) 2.19810160
WF centre and spread 3 ( -1.134587, 5.701439, 5.193663 ) 2.18812827
WF centre and spread 4 ( 2.295939, 4.250999, 5.216020 ) 2.19857090
WF centre and spread 5 ( 2.069924, 4.078964, 5.194075 ) 2.18870440
WF centre and spread 6 ( 2.182043, 4.135339, 5.139275 ) 2.18360198
WF centre and spread 7 ( -0.942582, 1.991304, 5.137935 ) 2.18477950
WF centre and spread 8 ( -0.936880, 2.113571, 5.193624 ) 2.18806614
WF centre and spread 9 ( -0.899714, 1.832476, 5.217677 ) 2.19805578
WF centre and spread 10 ( 1.237789, 2.161560, 1.464282 ) 2.18466684
WF centre and spread 11 ( 1.396612, 2.119401, 1.384802 ) 2.19810096
WF centre and spread 12 ( 1.134586, 2.227889, 1.408671 ) 2.18812770
WF centre and spread 13 ( 4.571061, 3.678329, 1.386314 ) 2.19857034
WF centre and spread 14 ( 4.797076, 3.850365, 1.408258 ) 2.18870384
WF centre and spread 15 ( 4.684958, 3.793990, 1.463059 ) 2.18360121
WF centre and spread 16 ( 4.376082, -0.008972, 1.464399 ) 2.18477871
WF centre and spread 17 ( 4.370381, -0.131239, 1.408710 ) 2.18806550
WF centre and spread 18 ( 4.333214, 0.149856, 1.384656 ) 2.19805515
Sum of centres and spreads ( 30.901500, 53.522968, 59.421002 ) 39.42534636
Spreads (Ang^2) Omega I = 38.192832321
================ Omega D = 0.006278578
Omega OD = 1.226235462
Final Spread (Ang^2) Omega Total = 39.425346361
------------------------------------------------------------------------------
Wannier centres written to file wann_centres.xyz
Time for wannierise 1.774 (sec)
Writing checkpoint file wann.chk... done
*---------------------------------------------------------------------------*
| PLOTTING |
*---------------------------------------------------------------------------*
Calculating interpolated band-structure
Time to calculate interpolated band structure 0.178 (sec)
Time for plotting 0.183 (sec)
Total Execution Time 1.984 (sec)
*===========================================================================*
| TIMING INFORMATION |
*===========================================================================*
| Tag Ncalls Time (s)|
|---------------------------------------------------------------------------|
|kmesh: get : 1 0.007|
|overlap: allocate : 1 0.000|
|overlap: read : 1 0.015|
|wann: main : 1 1.774|
|plot: main : 1 0.183|
*---------------------------------------------------------------------------*
All done: wannier90 exiting
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