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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 10:54:13 |
+---------------------------------------------------+
******************************************************************************
* -> 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 : 6 |
| Number of Objective Wannier Functions : 6 |
| Number of input Bloch states : 6 |
| 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: 0.11 Mb |
| plot_wannier: 0.11 Mb |
*----------------------------------------------------------------------------*
Starting a new Wannier90 calculation ...
Reading overlaps from wann.mmn : Created on 5Jun2024 at 10:54:13
Reading projections from wann.amn : Created on 5Jun2024 at 10:54:13
Time to read overlaps 0.002 (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 ( -0.000000, 3.964664, 0.006792 ) 0.29707526
WF centre and spread 2 ( -0.000002, 3.964552, 0.006804 ) 0.29652971
WF centre and spread 3 ( 0.000002, 3.964778, 0.006804 ) 0.29652971
WF centre and spread 4 ( 0.000000, 3.964664, 6.595541 ) 0.29707525
WF centre and spread 5 ( 0.000002, 3.964777, 6.595529 ) 0.29652970
WF centre and spread 6 ( -0.000002, 3.964551, 6.595529 ) 0.29652970
Sum of centres and spreads ( -0.000000, 23.787986, 19.807000 ) 1.78026933
0 0.178E+01 0.0000000000 1.7802693340 0.00 <-- CONV
O_D= 0.0000000 O_OD= 0.0016975 O_TOT= 1.7802693 <-- SPRD
------------------------------------------------------------------------------
Cycle: 1
WF centre and spread 1 ( -0.000000, 3.964664, 0.006792 ) 0.29707526
WF centre and spread 2 ( -0.000002, 3.964552, 0.006804 ) 0.29652971
WF centre and spread 3 ( 0.000002, 3.964778, 0.006804 ) 0.29652970
WF centre and spread 4 ( 0.000000, 3.964664, 6.595541 ) 0.29707525
WF centre and spread 5 ( 0.000002, 3.964777, 6.595529 ) 0.29652970
WF centre and spread 6 ( -0.000002, 3.964551, 6.595529 ) 0.29652970
Sum of centres and spreads ( -0.000000, 23.787986, 19.807000 ) 1.78026932
1 -0.118E-07 0.0003139603 1.7802693222 0.00 <-- CONV
O_D= 0.0000000 O_OD= 0.0016975 O_TOT= 1.7802693 <-- SPRD
Delta: O_D= -0.3674705E-14 O_OD= -0.1178838E-07 O_TOT= -0.1178839E-07 <-- DLTA
------------------------------------------------------------------------------
Cycle: 10
WF centre and spread 1 ( -0.000000, 3.964664, 0.006792 ) 0.29707527
WF centre and spread 2 ( -0.000002, 3.964552, 0.006804 ) 0.29652971
WF centre and spread 3 ( 0.000002, 3.964778, 0.006804 ) 0.29652838
WF centre and spread 4 ( -0.000000, 3.964664, 6.595541 ) 0.29707527
WF centre and spread 5 ( 0.000002, 3.964777, 6.595529 ) 0.29652970
WF centre and spread 6 ( -0.000002, 3.964551, 6.595529 ) 0.29652838
Sum of centres and spreads ( -0.000000, 23.787986, 19.807000 ) 1.78026671
10 -0.128E-06 0.0013600810 1.7802667128 0.00 <-- CONV
O_D= 0.0000000 O_OD= 0.0016949 O_TOT= 1.7802667 <-- SPRD
Delta: O_D= -0.9440582E-11 O_OD= -0.1276237E-06 O_TOT= -0.1276331E-06 <-- DLTA
------------------------------------------------------------------------------
Cycle: 20
WF centre and spread 1 ( -0.000000, 3.964664, 0.006792 ) 0.29707527
WF centre and spread 2 ( -0.000002, 3.964552, 0.006804 ) 0.29652971
WF centre and spread 3 ( 0.000002, 3.964778, 0.006804 ) 0.29652778
WF centre and spread 4 ( -0.000000, 3.964664, 6.595541 ) 0.29707526
WF centre and spread 5 ( 0.000002, 3.964777, 6.595529 ) 0.29652970
WF centre and spread 6 ( -0.000002, 3.964551, 6.595529 ) 0.29652777
Sum of centres and spreads ( -0.000000, 23.787986, 19.807000 ) 1.78026549
20 -0.156E-07 0.0002953497 1.7802654890 0.01 <-- CONV
O_D= 0.0000000 O_OD= 0.0016937 O_TOT= 1.7802655 <-- SPRD
Delta: O_D= 0.3239749E-08 O_OD= -0.1884442E-07 O_TOT= -0.1560467E-07 <-- DLTA
------------------------------------------------------------------------------
Cycle: 30
WF centre and spread 1 ( -0.000000, 3.964664, 0.006792 ) 0.29707527
WF centre and spread 2 ( -0.000002, 3.964552, 0.006804 ) 0.29652971
WF centre and spread 3 ( 0.000002, 3.964778, 0.006804 ) 0.29652721
WF centre and spread 4 ( -0.000000, 3.964664, 6.595541 ) 0.29707526
WF centre and spread 5 ( 0.000002, 3.964777, 6.595529 ) 0.29652970
WF centre and spread 6 ( -0.000002, 3.964551, 6.595529 ) 0.29652720
Sum of centres and spreads ( -0.000000, 23.787986, 19.807000 ) 1.78026436
30 -0.212E-06 0.0015053341 1.7802643546 0.01 <-- CONV
O_D= 0.0000000 O_OD= 0.0016925 O_TOT= 1.7802644 <-- SPRD
Delta: O_D= 0.1435971E-09 O_OD= -0.2119720E-06 O_TOT= -0.2118284E-06 <-- DLTA
------------------------------------------------------------------------------
Cycle: 40
WF centre and spread 1 ( -0.000000, 3.964664, 0.006792 ) 0.29707527
WF centre and spread 2 ( -0.000002, 3.964552, 0.006804 ) 0.29652971
WF centre and spread 3 ( 0.000002, 3.964778, 0.006804 ) 0.29652688
WF centre and spread 4 ( -0.000000, 3.964664, 6.595541 ) 0.29707527
WF centre and spread 5 ( 0.000002, 3.964777, 6.595529 ) 0.29652970
WF centre and spread 6 ( -0.000002, 3.964551, 6.595529 ) 0.29652687
Sum of centres and spreads ( -0.000000, 23.787986, 19.807000 ) 1.78026370
40 -0.254E-07 0.0002996396 1.7802636946 0.01 <-- CONV
O_D= 0.0000000 O_OD= 0.0016919 O_TOT= 1.7802637 <-- SPRD
Delta: O_D= -0.7792922E-09 O_OD= -0.2460786E-07 O_TOT= -0.2538716E-07 <-- DLTA
------------------------------------------------------------------------------
Cycle: 50
WF centre and spread 1 ( -0.000000, 3.964664, 0.006792 ) 0.29707528
WF centre and spread 2 ( -0.000002, 3.964552, 0.006804 ) 0.29652971
WF centre and spread 3 ( 0.000002, 3.964778, 0.006804 ) 0.29652651
WF centre and spread 4 ( -0.000000, 3.964664, 6.595541 ) 0.29707527
WF centre and spread 5 ( 0.000002, 3.964777, 6.595529 ) 0.29652970
WF centre and spread 6 ( -0.000002, 3.964551, 6.595529 ) 0.29652650
Sum of centres and spreads ( -0.000000, 23.787986, 19.807000 ) 1.78026296
50 -0.633E-07 0.0008078530 1.7802629549 0.02 <-- CONV
O_D= 0.0000000 O_OD= 0.0016911 O_TOT= 1.7802630 <-- SPRD
Delta: O_D= 0.1170278E-09 O_OD= -0.6339683E-07 O_TOT= -0.6327980E-07 <-- DLTA
------------------------------------------------------------------------------
Cycle: 60
WF centre and spread 1 ( -0.000000, 3.964664, 0.006792 ) 0.29707527
WF centre and spread 2 ( -0.000002, 3.964552, 0.006804 ) 0.29652971
WF centre and spread 3 ( 0.000002, 3.964778, 0.006804 ) 0.29652618
WF centre and spread 4 ( -0.000000, 3.964664, 6.595541 ) 0.29707527
WF centre and spread 5 ( 0.000002, 3.964777, 6.595529 ) 0.29652970
WF centre and spread 6 ( -0.000002, 3.964551, 6.595529 ) 0.29652617
Sum of centres and spreads ( -0.000000, 23.787986, 19.807000 ) 1.78026231
60 -0.152E-07 0.0002974246 1.7802623070 0.02 <-- CONV
O_D= 0.0000000 O_OD= 0.0016905 O_TOT= 1.7802623 <-- SPRD
Delta: O_D= 0.2708636E-08 O_OD= -0.1790772E-07 O_TOT= -0.1519909E-07 <-- DLTA
------------------------------------------------------------------------------
Cycle: 70
WF centre and spread 1 ( -0.000000, 3.964664, 0.006792 ) 0.29707528
WF centre and spread 2 ( -0.000002, 3.964552, 0.006804 ) 0.29652971
WF centre and spread 3 ( 0.000002, 3.964778, 0.006804 ) 0.29652568
WF centre and spread 4 ( -0.000000, 3.964664, 6.595541 ) 0.29707527
WF centre and spread 5 ( 0.000002, 3.964777, 6.595529 ) 0.29652970
WF centre and spread 6 ( -0.000002, 3.964551, 6.595529 ) 0.29652567
Sum of centres and spreads ( -0.000000, 23.787986, 19.807000 ) 1.78026131
70 -0.198E-06 0.0014594218 1.7802613080 0.02 <-- CONV
O_D= 0.0000000 O_OD= 0.0016895 O_TOT= 1.7802613 <-- SPRD
Delta: O_D= 0.1375287E-10 O_OD= -0.1976271E-06 O_TOT= -0.1976133E-06 <-- DLTA
------------------------------------------------------------------------------
Cycle: 80
WF centre and spread 1 ( -0.000000, 3.964664, 0.006792 ) 0.29707528
WF centre and spread 2 ( -0.000002, 3.964552, 0.006804 ) 0.29652971
WF centre and spread 3 ( 0.000002, 3.964778, 0.006804 ) 0.29652535
WF centre and spread 4 ( -0.000000, 3.964664, 6.595541 ) 0.29707528
WF centre and spread 5 ( 0.000002, 3.964777, 6.595529 ) 0.29652970
WF centre and spread 6 ( -0.000002, 3.964551, 6.595529 ) 0.29652535
Sum of centres and spreads ( -0.000000, 23.787986, 19.807000 ) 1.78026067
80 -0.246E-07 0.0002948031 1.7802606721 0.03 <-- CONV
O_D= 0.0000000 O_OD= 0.0016889 O_TOT= 1.7802607 <-- SPRD
Delta: O_D= -0.7528765E-09 O_OD= -0.2384719E-07 O_TOT= -0.2460007E-07 <-- DLTA
------------------------------------------------------------------------------
Cycle: 90
WF centre and spread 1 ( 0.000000, 3.964664, 0.006792 ) 0.29707529
WF centre and spread 2 ( -0.000002, 3.964552, 0.006804 ) 0.29652971
WF centre and spread 3 ( 0.000002, 3.964778, 0.006804 ) 0.29652499
WF centre and spread 4 ( -0.000000, 3.964664, 6.595541 ) 0.29707528
WF centre and spread 5 ( 0.000002, 3.964777, 6.595529 ) 0.29652970
WF centre and spread 6 ( -0.000002, 3.964551, 6.595529 ) 0.29652499
Sum of centres and spreads ( -0.000000, 23.787986, 19.807000 ) 1.78025996
90 -0.610E-07 0.0007928406 1.7802599580 0.03 <-- CONV
O_D= 0.0000000 O_OD= 0.0016881 O_TOT= 1.7802600 <-- SPRD
Delta: O_D= 0.1155653E-09 O_OD= -0.6111813E-07 O_TOT= -0.6100256E-07 <-- DLTA
------------------------------------------------------------------------------
Cycle: 100
WF centre and spread 1 ( 0.000000, 3.964664, 0.006792 ) 0.29707529
WF centre and spread 2 ( -0.000002, 3.964552, 0.006804 ) 0.29652971
WF centre and spread 3 ( 0.000002, 3.964778, 0.006804 ) 0.29652468
WF centre and spread 4 ( -0.000000, 3.964664, 6.595541 ) 0.29707528
WF centre and spread 5 ( 0.000002, 3.964777, 6.595529 ) 0.29652970
WF centre and spread 6 ( -0.000002, 3.964551, 6.595529 ) 0.29652467
Sum of centres and spreads ( -0.000000, 23.787986, 19.807000 ) 1.78025933
100 -0.147E-07 0.0002925752 1.7802593321 0.03 <-- CONV
O_D= 0.0000000 O_OD= 0.0016875 O_TOT= 1.7802593 <-- SPRD
Delta: O_D= 0.2619631E-08 O_OD= -0.1733916E-07 O_TOT= -0.1471952E-07 <-- DLTA
------------------------------------------------------------------------------
Writing checkpoint file wann.chk... done
Cycle: 110
WF centre and spread 1 ( 0.000000, 3.964664, 0.006792 ) 0.29707529
WF centre and spread 2 ( -0.000002, 3.964552, 0.006804 ) 0.29652971
WF centre and spread 3 ( 0.000002, 3.964778, 0.006804 ) 0.29652419
WF centre and spread 4 ( -0.000000, 3.964664, 6.595541 ) 0.29707529
WF centre and spread 5 ( 0.000002, 3.964777, 6.595529 ) 0.29652970
WF centre and spread 6 ( -0.000002, 3.964551, 6.595529 ) 0.29652418
Sum of centres and spreads ( -0.000000, 23.787986, 19.807000 ) 1.78025837
110 -0.191E-06 0.0014346946 1.7802583670 0.03 <-- CONV
O_D= 0.0000000 O_OD= 0.0016865 O_TOT= 1.7802584 <-- SPRD
Delta: O_D= 0.1225401E-10 O_OD= -0.1909735E-06 O_TOT= -0.1909612E-06 <-- DLTA
------------------------------------------------------------------------------
Cycle: 120
WF centre and spread 1 ( 0.000000, 3.964664, 0.006792 ) 0.29707530
WF centre and spread 2 ( -0.000002, 3.964552, 0.006804 ) 0.29652971
WF centre and spread 3 ( 0.000002, 3.964778, 0.006804 ) 0.29652388
WF centre and spread 4 ( -0.000000, 3.964664, 6.595541 ) 0.29707529
WF centre and spread 5 ( 0.000002, 3.964777, 6.595529 ) 0.29652970
WF centre and spread 6 ( -0.000002, 3.964551, 6.595529 ) 0.29652387
Sum of centres and spreads ( -0.000000, 23.787986, 19.807000 ) 1.78025775
120 -0.238E-07 0.0002900119 1.7802577527 0.04 <-- CONV
O_D= 0.0000000 O_OD= 0.0016859 O_TOT= 1.7802578 <-- SPRD
Delta: O_D= -0.7275625E-09 O_OD= -0.2303501E-07 O_TOT= -0.2376257E-07 <-- DLTA
------------------------------------------------------------------------------
Cycle: 130
WF centre and spread 1 ( 0.000000, 3.964664, 0.006792 ) 0.29707530
WF centre and spread 2 ( -0.000002, 3.964552, 0.006804 ) 0.29652971
WF centre and spread 3 ( 0.000002, 3.964778, 0.006804 ) 0.29652353
WF centre and spread 4 ( -0.000000, 3.964664, 6.595541 ) 0.29707530
WF centre and spread 5 ( 0.000002, 3.964777, 6.595529 ) 0.29652970
WF centre and spread 6 ( -0.000002, 3.964551, 6.595529 ) 0.29652352
Sum of centres and spreads ( -0.000000, 23.787986, 19.807000 ) 1.78025706
130 -0.588E-07 0.0007781447 1.7802570633 0.04 <-- CONV
O_D= 0.0000000 O_OD= 0.0016852 O_TOT= 1.7802571 <-- SPRD
Delta: O_D= 0.1130521E-09 O_OD= -0.5890421E-07 O_TOT= -0.5879115E-07 <-- DLTA
------------------------------------------------------------------------------
Cycle: 140
WF centre and spread 1 ( 0.000000, 3.964664, 0.006792 ) 0.29707530
WF centre and spread 2 ( -0.000002, 3.964552, 0.006804 ) 0.29652971
WF centre and spread 3 ( 0.000002, 3.964778, 0.006804 ) 0.29652323
WF centre and spread 4 ( -0.000000, 3.964664, 6.595541 ) 0.29707530
WF centre and spread 5 ( 0.000002, 3.964777, 6.595529 ) 0.29652970
WF centre and spread 6 ( -0.000002, 3.964551, 6.595529 ) 0.29652322
Sum of centres and spreads ( -0.000000, 23.787986, 19.807000 ) 1.78025646
140 -0.143E-07 0.0002878345 1.7802564587 0.04 <-- CONV
O_D= 0.0000000 O_OD= 0.0016846 O_TOT= 1.7802565 <-- SPRD
Delta: O_D= 0.2531430E-08 O_OD= -0.1678386E-07 O_TOT= -0.1425243E-07 <-- DLTA
------------------------------------------------------------------------------
Cycle: 150
WF centre and spread 1 ( 0.000000, 3.964664, 0.006792 ) 0.29707531
WF centre and spread 2 ( -0.000002, 3.964552, 0.006804 ) 0.29652971
WF centre and spread 3 ( 0.000002, 3.964778, 0.006804 ) 0.29652275
WF centre and spread 4 ( -0.000000, 3.964664, 6.595541 ) 0.29707530
WF centre and spread 5 ( 0.000002, 3.964777, 6.595529 ) 0.29652970
WF centre and spread 6 ( -0.000002, 3.964551, 6.595529 ) 0.29652275
Sum of centres and spreads ( -0.000000, 23.787986, 19.807000 ) 1.78025553
150 -0.184E-06 0.0014101305 1.7802555266 0.05 <-- CONV
O_D= 0.0000000 O_OD= 0.0016837 O_TOT= 1.7802555 <-- SPRD
Delta: O_D= 0.1238144E-10 O_OD= -0.1844968E-06 O_TOT= -0.1844844E-06 <-- DLTA
------------------------------------------------------------------------------
Cycle: 160
WF centre and spread 1 ( 0.000000, 3.964664, 0.006792 ) 0.29707532
WF centre and spread 2 ( -0.000002, 3.964552, 0.006804 ) 0.29652971
WF centre and spread 3 ( 0.000002, 3.964778, 0.006804 ) 0.29652245
WF centre and spread 4 ( -0.000000, 3.964664, 6.595541 ) 0.29707531
WF centre and spread 5 ( 0.000002, 3.964777, 6.595529 ) 0.29652970
WF centre and spread 6 ( -0.000002, 3.964551, 6.595529 ) 0.29652244
Sum of centres and spreads ( -0.000000, 23.787986, 19.807000 ) 1.78025493
160 -0.230E-07 0.0002853390 1.7802549334 0.05 <-- CONV
O_D= 0.0000000 O_OD= 0.0016831 O_TOT= 1.7802549 <-- SPRD
Delta: O_D= -0.7056546E-09 O_OD= -0.2224644E-07 O_TOT= -0.2295209E-07 <-- DLTA
------------------------------------------------------------------------------
Cycle: 170
WF centre and spread 1 ( 0.000000, 3.964664, 0.006792 ) 0.29707533
WF centre and spread 2 ( -0.000002, 3.964552, 0.006804 ) 0.29652971
WF centre and spread 3 ( 0.000002, 3.964778, 0.006804 ) 0.29652211
WF centre and spread 4 ( -0.000000, 3.964664, 6.595541 ) 0.29707532
WF centre and spread 5 ( 0.000002, 3.964777, 6.595529 ) 0.29652970
WF centre and spread 6 ( -0.000002, 3.964551, 6.595529 ) 0.29652210
Sum of centres and spreads ( -0.000000, 23.787986, 19.807000 ) 1.78025427
170 -0.566E-07 0.0007637241 1.7802542680 0.05 <-- CONV
O_D= 0.0000000 O_OD= 0.0016825 O_TOT= 1.7802543 <-- SPRD
Delta: O_D= 0.1093616E-09 O_OD= -0.5674399E-07 O_TOT= -0.5663463E-07 <-- DLTA
------------------------------------------------------------------------------
Cycle: 180
WF centre and spread 1 ( 0.000000, 3.964664, 0.006792 ) 0.29707533
WF centre and spread 2 ( -0.000002, 3.964552, 0.006804 ) 0.29652971
WF centre and spread 3 ( 0.000002, 3.964778, 0.006804 ) 0.29652182
WF centre and spread 4 ( -0.000000, 3.964664, 6.595541 ) 0.29707532
WF centre and spread 5 ( 0.000002, 3.964777, 6.595529 ) 0.29652970
WF centre and spread 6 ( -0.000002, 3.964551, 6.595529 ) 0.29652181
Sum of centres and spreads ( -0.000000, 23.787986, 19.807000 ) 1.78025369
180 -0.138E-07 0.0002832120 1.7802536842 0.06 <-- CONV
O_D= 0.0000000 O_OD= 0.0016819 O_TOT= 1.7802537 <-- SPRD
Delta: O_D= 0.2444340E-08 O_OD= -0.1624324E-07 O_TOT= -0.1379890E-07 <-- DLTA
------------------------------------------------------------------------------
Cycle: 190
WF centre and spread 1 ( 0.000000, 3.964664, 0.006792 ) 0.29707533
WF centre and spread 2 ( -0.000002, 3.964552, 0.006804 ) 0.29652971
WF centre and spread 3 ( 0.000002, 3.964778, 0.006804 ) 0.29652136
WF centre and spread 4 ( -0.000000, 3.964664, 6.595541 ) 0.29707533
WF centre and spread 5 ( 0.000002, 3.964777, 6.595529 ) 0.29652970
WF centre and spread 6 ( -0.000002, 3.964551, 6.595529 ) 0.29652135
Sum of centres and spreads ( -0.000000, 23.787986, 19.807000 ) 1.78025279
190 -0.178E-06 0.0013857409 1.7802527842 0.06 <-- CONV
O_D= 0.0000000 O_OD= 0.0016810 O_TOT= 1.7802528 <-- SPRD
Delta: O_D= 0.1376202E-10 O_OD= -0.1781931E-06 O_TOT= -0.1781793E-06 <-- DLTA
------------------------------------------------------------------------------
Cycle: 200
WF centre and spread 1 ( 0.000000, 3.964664, 0.006792 ) 0.29707534
WF centre and spread 2 ( -0.000002, 3.964552, 0.006804 ) 0.29652971
WF centre and spread 3 ( 0.000002, 3.964778, 0.006804 ) 0.29652107
WF centre and spread 4 ( -0.000000, 3.964664, 6.595541 ) 0.29707533
WF centre and spread 5 ( 0.000002, 3.964777, 6.595529 ) 0.29652970
WF centre and spread 6 ( -0.000002, 3.964551, 6.595529 ) 0.29652106
Sum of centres and spreads ( -0.000000, 23.787986, 19.807000 ) 1.78025221
200 -0.222E-07 0.0002807761 1.7802522115 0.06 <-- CONV
O_D= 0.0000000 O_OD= 0.0016804 O_TOT= 1.7802522 <-- SPRD
Delta: O_D= -0.6864586E-09 O_OD= -0.2148051E-07 O_TOT= -0.2216697E-07 <-- DLTA
------------------------------------------------------------------------------
Writing checkpoint file wann.chk... done
Cycle: 210
WF centre and spread 1 ( 0.000000, 3.964664, 0.006792 ) 0.29707535
WF centre and spread 2 ( -0.000002, 3.964552, 0.006804 ) 0.29652971
WF centre and spread 3 ( 0.000002, 3.964778, 0.006804 ) 0.29652074
WF centre and spread 4 ( -0.000000, 3.964664, 6.595541 ) 0.29707534
WF centre and spread 5 ( 0.000002, 3.964777, 6.595529 ) 0.29652970
WF centre and spread 6 ( -0.000002, 3.964551, 6.595529 ) 0.29652073
Sum of centres and spreads ( -0.000000, 23.787986, 19.807000 ) 1.78025157
210 -0.545E-07 0.0007495359 1.7802515695 0.07 <-- CONV
O_D= 0.0000000 O_OD= 0.0016798 O_TOT= 1.7802516 <-- SPRD
Delta: O_D= 0.1048942E-09 O_OD= -0.5463820E-07 O_TOT= -0.5453330E-07 <-- DLTA
------------------------------------------------------------------------------
Cycle: 220
WF centre and spread 1 ( 0.000000, 3.964664, 0.006792 ) 0.29707535
WF centre and spread 2 ( -0.000002, 3.964552, 0.006804 ) 0.29652971
WF centre and spread 3 ( 0.000002, 3.964778, 0.006804 ) 0.29652045
WF centre and spread 4 ( -0.000000, 3.964664, 6.595541 ) 0.29707535
WF centre and spread 5 ( 0.000002, 3.964777, 6.595529 ) 0.29652970
WF centre and spread 6 ( -0.000002, 3.964551, 6.595529 ) 0.29652044
Sum of centres and spreads ( -0.000000, 23.787986, 19.807000 ) 1.78025101
220 -0.134E-07 0.0002786881 1.7802510060 0.07 <-- CONV
O_D= 0.0000000 O_OD= 0.0016792 O_TOT= 1.7802510 <-- SPRD
Delta: O_D= 0.2358854E-08 O_OD= -0.1571743E-07 O_TOT= -0.1335858E-07 <-- DLTA
------------------------------------------------------------------------------
Cycle: 230
WF centre and spread 1 ( 0.000000, 3.964664, 0.006792 ) 0.29707536
WF centre and spread 2 ( -0.000002, 3.964552, 0.006804 ) 0.29652971
WF centre and spread 3 ( 0.000002, 3.964778, 0.006804 ) 0.29652001
WF centre and spread 4 ( -0.000000, 3.964664, 6.595541 ) 0.29707535
WF centre and spread 5 ( 0.000002, 3.964777, 6.595529 ) 0.29652970
WF centre and spread 6 ( -0.000002, 3.964551, 6.595529 ) 0.29652000
Sum of centres and spreads ( -0.000000, 23.787986, 19.807000 ) 1.78025014
230 -0.172E-06 0.0013616021 1.7802501371 0.07 <-- CONV
O_D= 0.0000000 O_OD= 0.0016783 O_TOT= 1.7802501 <-- SPRD
Delta: O_D= 0.1590252E-10 O_OD= -0.1720727E-06 O_TOT= -0.1720568E-06 <-- DLTA
------------------------------------------------------------------------------
Cycle: 240
WF centre and spread 1 ( 0.000000, 3.964664, 0.006792 ) 0.29707537
WF centre and spread 2 ( -0.000002, 3.964552, 0.006804 ) 0.29652971
WF centre and spread 3 ( 0.000002, 3.964778, 0.006804 ) 0.29651972
WF centre and spread 4 ( -0.000000, 3.964664, 6.595541 ) 0.29707536
WF centre and spread 5 ( 0.000002, 3.964777, 6.595529 ) 0.29652970
WF centre and spread 6 ( -0.000002, 3.964551, 6.595529 ) 0.29651972
Sum of centres and spreads ( -0.000000, 23.787986, 19.807000 ) 1.78024959
240 -0.214E-07 0.0002762854 1.7802495843 0.08 <-- CONV
O_D= 0.0000000 O_OD= 0.0016778 O_TOT= 1.7802496 <-- SPRD
Delta: O_D= -0.6685693E-09 O_OD= -0.2073851E-07 O_TOT= -0.2140708E-07 <-- DLTA
------------------------------------------------------------------------------
Cycle: 250
WF centre and spread 1 ( 0.000000, 3.964664, 0.006792 ) 0.29707538
WF centre and spread 2 ( -0.000002, 3.964552, 0.006804 ) 0.29652971
WF centre and spread 3 ( 0.000002, 3.964778, 0.006804 ) 0.29651941
WF centre and spread 4 ( -0.000000, 3.964664, 6.595541 ) 0.29707537
WF centre and spread 5 ( 0.000002, 3.964777, 6.595529 ) 0.29652970
WF centre and spread 6 ( -0.000002, 3.964551, 6.595529 ) 0.29651940
Sum of centres and spreads ( -0.000000, 23.787986, 19.807000 ) 1.78024897
250 -0.525E-07 0.0007356640 1.7802489649 0.08 <-- CONV
O_D= 0.0000000 O_OD= 0.0016772 O_TOT= 1.7802490 <-- SPRD
Delta: O_D= 0.1002636E-09 O_OD= -0.5261067E-07 O_TOT= -0.5251041E-07 <-- DLTA
------------------------------------------------------------------------------
Cycle: 260
WF centre and spread 1 ( 0.000000, 3.964664, 0.006792 ) 0.29707538
WF centre and spread 2 ( -0.000002, 3.964552, 0.006804 ) 0.29652971
WF centre and spread 3 ( 0.000002, 3.964778, 0.006804 ) 0.29651913
WF centre and spread 4 ( -0.000000, 3.964664, 6.595541 ) 0.29707538
WF centre and spread 5 ( 0.000002, 3.964777, 6.595529 ) 0.29652970
WF centre and spread 6 ( -0.000002, 3.964551, 6.595529 ) 0.29651912
Sum of centres and spreads ( -0.000000, 23.787986, 19.807000 ) 1.78024842
260 -0.129E-07 0.0002742131 1.7802484209 0.08 <-- CONV
O_D= 0.0000000 O_OD= 0.0016766 O_TOT= 1.7802484 <-- SPRD
Delta: O_D= 0.2276035E-08 O_OD= -0.1520506E-07 O_TOT= -0.1292902E-07 <-- DLTA
------------------------------------------------------------------------------
Cycle: 270
WF centre and spread 1 ( 0.000000, 3.964664, 0.006792 ) 0.29707539
WF centre and spread 2 ( -0.000002, 3.964552, 0.006804 ) 0.29652971
WF centre and spread 3 ( 0.000002, 3.964778, 0.006804 ) 0.29651870
WF centre and spread 4 ( -0.000000, 3.964664, 6.595541 ) 0.29707539
WF centre and spread 5 ( 0.000002, 3.964777, 6.595529 ) 0.29652970
WF centre and spread 6 ( -0.000002, 3.964551, 6.595529 ) 0.29651869
Sum of centres and spreads ( -0.000000, 23.787986, 19.807000 ) 1.78024758
270 -0.166E-06 0.0013378598 1.7802475821 0.08 <-- CONV
O_D= 0.0000000 O_OD= 0.0016758 O_TOT= 1.7802476 <-- SPRD
Delta: O_D= 0.1794013E-10 O_OD= -0.1661574E-06 O_TOT= -0.1661395E-06 <-- DLTA
------------------------------------------------------------------------------
Cycle: 280
WF centre and spread 1 ( 0.000000, 3.964664, 0.006792 ) 0.29707540
WF centre and spread 2 ( -0.000002, 3.964552, 0.006804 ) 0.29652971
WF centre and spread 3 ( 0.000002, 3.964778, 0.006804 ) 0.29651842
WF centre and spread 4 ( -0.000000, 3.964664, 6.595541 ) 0.29707539
WF centre and spread 5 ( 0.000002, 3.964777, 6.595529 ) 0.29652970
WF centre and spread 6 ( -0.000002, 3.964551, 6.595529 ) 0.29651842
Sum of centres and spreads ( -0.000000, 23.787986, 19.807000 ) 1.78024705
280 -0.207E-07 0.0002718146 1.7802470485 0.09 <-- CONV
O_D= 0.0000000 O_OD= 0.0016752 O_TOT= 1.7802470 <-- SPRD
Delta: O_D= -0.6504922E-09 O_OD= -0.2002332E-07 O_TOT= -0.2067381E-07 <-- DLTA
------------------------------------------------------------------------------
Cycle: 290
WF centre and spread 1 ( 0.000000, 3.964664, 0.006792 ) 0.29707541
WF centre and spread 2 ( -0.000002, 3.964552, 0.006804 ) 0.29652971
WF centre and spread 3 ( 0.000002, 3.964778, 0.006804 ) 0.29651812
WF centre and spread 4 ( -0.000000, 3.964664, 6.595541 ) 0.29707540
WF centre and spread 5 ( 0.000002, 3.964777, 6.595529 ) 0.29652970
WF centre and spread 6 ( -0.000002, 3.964551, 6.595529 ) 0.29651811
Sum of centres and spreads ( -0.000000, 23.787986, 19.807000 ) 1.78024645
290 -0.506E-07 0.0007222481 1.7802464508 0.09 <-- CONV
O_D= 0.0000000 O_OD= 0.0016746 O_TOT= 1.7802465 <-- SPRD
Delta: O_D= 0.9591764E-10 O_OD= -0.5068849E-07 O_TOT= -0.5059258E-07 <-- DLTA
------------------------------------------------------------------------------
Cycle: 300
WF centre and spread 1 ( 0.000000, 3.964664, 0.006792 ) 0.29707542
WF centre and spread 2 ( -0.000002, 3.964552, 0.006804 ) 0.29652971
WF centre and spread 3 ( 0.000002, 3.964778, 0.006804 ) 0.29651785
WF centre and spread 4 ( -0.000000, 3.964664, 6.595541 ) 0.29707541
WF centre and spread 5 ( 0.000002, 3.964777, 6.595529 ) 0.29652970
WF centre and spread 6 ( -0.000002, 3.964551, 6.595529 ) 0.29651784
Sum of centres and spreads ( -0.000000, 23.787986, 19.807000 ) 1.78024593
300 -0.125E-07 0.0002697446 1.7802459256 0.09 <-- CONV
O_D= 0.0000000 O_OD= 0.0016741 O_TOT= 1.7802459 <-- SPRD
Delta: O_D= 0.2196618E-08 O_OD= -0.1470444E-07 O_TOT= -0.1250782E-07 <-- DLTA
------------------------------------------------------------------------------
Writing checkpoint file wann.chk... done
Cycle: 310
WF centre and spread 1 ( 0.000000, 3.964664, 0.006792 ) 0.29707543
WF centre and spread 2 ( -0.000002, 3.964552, 0.006804 ) 0.29652971
WF centre and spread 3 ( 0.000002, 3.964778, 0.006804 ) 0.29651743
WF centre and spread 4 ( -0.000000, 3.964664, 6.595541 ) 0.29707542
WF centre and spread 5 ( 0.000002, 3.964777, 6.595529 ) 0.29652970
WF centre and spread 6 ( -0.000002, 3.964551, 6.595529 ) 0.29651742
Sum of centres and spreads ( -0.000000, 23.787986, 19.807000 ) 1.78024512
310 -0.160E-06 0.0013145994 1.7802451158 0.10 <-- CONV
O_D= 0.0000000 O_OD= 0.0016733 O_TOT= 1.7802451 <-- SPRD
Delta: O_D= 0.1956944E-10 O_OD= -0.1604588E-06 O_TOT= -0.1604392E-06 <-- DLTA
------------------------------------------------------------------------------
Cycle: 320
WF centre and spread 1 ( 0.000000, 3.964664, 0.006792 ) 0.29707544
WF centre and spread 2 ( -0.000002, 3.964552, 0.006804 ) 0.29652971
WF centre and spread 3 ( 0.000002, 3.964778, 0.006804 ) 0.29651716
WF centre and spread 4 ( -0.000000, 3.964664, 6.595541 ) 0.29707543
WF centre and spread 5 ( 0.000002, 3.964777, 6.595529 ) 0.29652970
WF centre and spread 6 ( -0.000002, 3.964551, 6.595529 ) 0.29651716
Sum of centres and spreads ( -0.000000, 23.787986, 19.807000 ) 1.78024460
320 -0.200E-07 0.0002673420 1.7802446006 0.10 <-- CONV
O_D= 0.0000000 O_OD= 0.0016728 O_TOT= 1.7802446 <-- SPRD
Delta: O_D= -0.6316462E-09 O_OD= -0.1933508E-07 O_TOT= -0.1996672E-07 <-- DLTA
------------------------------------------------------------------------------
Cycle: 330
WF centre and spread 1 ( 0.000000, 3.964664, 0.006792 ) 0.29707545
WF centre and spread 2 ( -0.000002, 3.964552, 0.006804 ) 0.29652971
WF centre and spread 3 ( 0.000002, 3.964778, 0.006804 ) 0.29651687
WF centre and spread 4 ( -0.000000, 3.964664, 6.595541 ) 0.29707544
WF centre and spread 5 ( 0.000002, 3.964777, 6.595529 ) 0.29652970
WF centre and spread 6 ( -0.000002, 3.964551, 6.595529 ) 0.29651686
Sum of centres and spreads ( -0.000000, 23.787986, 19.807000 ) 1.78024402
330 -0.488E-07 0.0007093021 1.7802440236 0.10 <-- CONV
O_D= 0.0000000 O_OD= 0.0016722 O_TOT= 1.7802440 <-- SPRD
Delta: O_D= 0.9202848E-10 O_OD= -0.4887377E-07 O_TOT= -0.4878174E-07 <-- DLTA
------------------------------------------------------------------------------
Cycle: 340
WF centre and spread 1 ( 0.000000, 3.964664, 0.006792 ) 0.29707545
WF centre and spread 2 ( -0.000002, 3.964552, 0.006804 ) 0.29652971
WF centre and spread 3 ( 0.000002, 3.964778, 0.006804 ) 0.29651661
WF centre and spread 4 ( -0.000000, 3.964664, 6.595541 ) 0.29707545
WF centre and spread 5 ( 0.000002, 3.964777, 6.595529 ) 0.29652970
WF centre and spread 6 ( -0.000002, 3.964551, 6.595529 ) 0.29651660
Sum of centres and spreads ( -0.000000, 23.787986, 19.807000 ) 1.78024352
340 -0.121E-07 0.0002652738 1.7802435165 0.11 <-- CONV
O_D= 0.0000000 O_OD= 0.0016717 O_TOT= 1.7802435 <-- SPRD
Delta: O_D= 0.2120717E-08 O_OD= -0.1421552E-07 O_TOT= -0.1209480E-07 <-- DLTA
------------------------------------------------------------------------------
Cycle: 350
WF centre and spread 1 ( 0.000000, 3.964664, 0.006792 ) 0.29707547
WF centre and spread 2 ( -0.000002, 3.964552, 0.006804 ) 0.29652971
WF centre and spread 3 ( 0.000002, 3.964778, 0.006804 ) 0.29651620
WF centre and spread 4 ( -0.000000, 3.964664, 6.595541 ) 0.29707546
WF centre and spread 5 ( 0.000002, 3.964777, 6.595529 ) 0.29652970
WF centre and spread 6 ( -0.000002, 3.964551, 6.595529 ) 0.29651619
Sum of centres and spreads ( -0.000000, 23.787986, 19.807000 ) 1.78024274
350 -0.155E-06 0.0012918185 1.7802427345 0.11 <-- CONV
O_D= 0.0000000 O_OD= 0.0016709 O_TOT= 1.7802427 <-- SPRD
Delta: O_D= 0.2061534E-10 O_OD= -0.1549679E-06 O_TOT= -0.1549472E-06 <-- DLTA
------------------------------------------------------------------------------
Cycle: 360
WF centre and spread 1 ( 0.000000, 3.964664, 0.006792 ) 0.29707548
WF centre and spread 2 ( -0.000002, 3.964552, 0.006804 ) 0.29652971
WF centre and spread 3 ( 0.000002, 3.964778, 0.006804 ) 0.29651594
WF centre and spread 4 ( -0.000000, 3.964664, 6.595541 ) 0.29707547
WF centre and spread 5 ( 0.000002, 3.964777, 6.595529 ) 0.29652970
WF centre and spread 6 ( -0.000002, 3.964551, 6.595529 ) 0.29651594
Sum of centres and spreads ( -0.000000, 23.787986, 19.807000 ) 1.78024224
360 -0.193E-07 0.0002628727 1.7802422370 0.11 <-- CONV
O_D= 0.0000000 O_OD= 0.0016704 O_TOT= 1.7802422 <-- SPRD
Delta: O_D= -0.6121230E-09 O_OD= -0.1867181E-07 O_TOT= -0.1928393E-07 <-- DLTA
------------------------------------------------------------------------------
Cycle: 370
WF centre and spread 1 ( 0.000000, 3.964664, 0.006792 ) 0.29707549
WF centre and spread 2 ( -0.000002, 3.964552, 0.006804 ) 0.29652971
WF centre and spread 3 ( 0.000002, 3.964778, 0.006804 ) 0.29651566
WF centre and spread 4 ( -0.000000, 3.964664, 6.595541 ) 0.29707548
WF centre and spread 5 ( 0.000002, 3.964777, 6.595529 ) 0.29652970
WF centre and spread 6 ( -0.000002, 3.964551, 6.595529 ) 0.29651565
Sum of centres and spreads ( -0.000000, 23.787986, 19.807000 ) 1.78024168
370 -0.471E-07 0.0006967234 1.7802416800 0.12 <-- CONV
O_D= 0.0000000 O_OD= 0.0016699 O_TOT= 1.7802417 <-- SPRD
Delta: O_D= 0.8859085E-10 O_OD= -0.4714924E-07 O_TOT= -0.4706065E-07 <-- DLTA
------------------------------------------------------------------------------
Cycle: 380
WF centre and spread 1 ( 0.000000, 3.964664, 0.006792 ) 0.29707549
WF centre and spread 2 ( -0.000002, 3.964552, 0.006804 ) 0.29652971
WF centre and spread 3 ( 0.000002, 3.964778, 0.006804 ) 0.29651540
WF centre and spread 4 ( -0.000000, 3.964664, 6.595541 ) 0.29707549
WF centre and spread 5 ( 0.000002, 3.964777, 6.595529 ) 0.29652970
WF centre and spread 6 ( -0.000002, 3.964551, 6.595529 ) 0.29651539
Sum of centres and spreads ( -0.000000, 23.787986, 19.807000 ) 1.78024119
380 -0.117E-07 0.0002608162 1.7802411903 0.12 <-- CONV
O_D= 0.0000000 O_OD= 0.0016694 O_TOT= 1.7802412 <-- SPRD
Delta: O_D= 0.2047930E-08 O_OD= -0.1373908E-07 O_TOT= -0.1169115E-07 <-- DLTA
------------------------------------------------------------------------------
Cycle: 390
WF centre and spread 1 ( 0.000000, 3.964664, 0.006792 ) 0.29707551
WF centre and spread 2 ( -0.000002, 3.964552, 0.006804 ) 0.29652971
WF centre and spread 3 ( 0.000002, 3.964778, 0.006804 ) 0.29651501
WF centre and spread 4 ( -0.000000, 3.964664, 6.595541 ) 0.29707550
WF centre and spread 5 ( 0.000002, 3.964777, 6.595529 ) 0.29652970
WF centre and spread 6 ( -0.000002, 3.964551, 6.595529 ) 0.29651500
Sum of centres and spreads ( -0.000000, 23.787986, 19.807000 ) 1.78024044
390 -0.150E-06 0.0012694002 1.7802404352 0.12 <-- CONV
O_D= 0.0000000 O_OD= 0.0016686 O_TOT= 1.7802404 <-- SPRD
Delta: O_D= 0.2133802E-10 O_OD= -0.1496543E-06 O_TOT= -0.1496329E-06 <-- DLTA
------------------------------------------------------------------------------
Cycle: 400
WF centre and spread 1 ( 0.000000, 3.964664, 0.006792 ) 0.29707552
WF centre and spread 2 ( -0.000002, 3.964552, 0.006804 ) 0.29652971
WF centre and spread 3 ( 0.000002, 3.964778, 0.006804 ) 0.29651476
WF centre and spread 4 ( -0.000000, 3.964664, 6.595541 ) 0.29707551
WF centre and spread 5 ( 0.000002, 3.964777, 6.595529 ) 0.29652970
WF centre and spread 6 ( -0.000002, 3.964551, 6.595529 ) 0.29651475
Sum of centres and spreads ( -0.000000, 23.787986, 19.807000 ) 1.78023996
400 -0.186E-07 0.0002584379 1.7802399548 0.12 <-- CONV
O_D= 0.0000000 O_OD= 0.0016681 O_TOT= 1.7802400 <-- SPRD
Delta: O_D= -0.5925233E-09 O_OD= -0.1802960E-07 O_TOT= -0.1862213E-07 <-- DLTA
------------------------------------------------------------------------------
Writing checkpoint file wann.chk... done
Cycle: 410
WF centre and spread 1 ( 0.000000, 3.964664, 0.006792 ) 0.29707553
WF centre and spread 2 ( -0.000002, 3.964552, 0.006804 ) 0.29652971
WF centre and spread 3 ( 0.000002, 3.964778, 0.006804 ) 0.29651448
WF centre and spread 4 ( -0.000000, 3.964664, 6.595541 ) 0.29707552
WF centre and spread 5 ( 0.000002, 3.964777, 6.595529 ) 0.29652970
WF centre and spread 6 ( -0.000002, 3.964551, 6.595529 ) 0.29651447
Sum of centres and spreads ( -0.000000, 23.787986, 19.807000 ) 1.78023942
410 -0.454E-07 0.0006843007 1.7802394171 0.13 <-- CONV
O_D= 0.0000000 O_OD= 0.0016676 O_TOT= 1.7802394 <-- SPRD
Delta: O_D= 0.8547476E-10 O_OD= -0.4548125E-07 O_TOT= -0.4539577E-07 <-- DLTA
------------------------------------------------------------------------------
Cycle: 420
WF centre and spread 1 ( 0.000000, 3.964664, 0.006792 ) 0.29707554
WF centre and spread 2 ( -0.000002, 3.964552, 0.006804 ) 0.29652971
WF centre and spread 3 ( 0.000002, 3.964778, 0.006804 ) 0.29651424
WF centre and spread 4 ( -0.000000, 3.964664, 6.595541 ) 0.29707553
WF centre and spread 5 ( 0.000002, 3.964777, 6.595529 ) 0.29652970
WF centre and spread 6 ( -0.000002, 3.964551, 6.595529 ) 0.29651423
Sum of centres and spreads ( -0.000000, 23.787986, 19.807000 ) 1.78023895
420 -0.113E-07 0.0002564090 1.7802389444 0.13 <-- CONV
O_D= 0.0000000 O_OD= 0.0016671 O_TOT= 1.7802389 <-- SPRD
Delta: O_D= 0.1977561E-08 O_OD= -0.1327750E-07 O_TOT= -0.1129994E-07 <-- DLTA
------------------------------------------------------------------------------
Cycle: 430
WF centre and spread 1 ( 0.000000, 3.964664, 0.006792 ) 0.29707555
WF centre and spread 2 ( -0.000002, 3.964552, 0.006804 ) 0.29652971
WF centre and spread 3 ( 0.000002, 3.964778, 0.006804 ) 0.29651386
WF centre and spread 4 ( -0.000000, 3.964664, 6.595541 ) 0.29707555
WF centre and spread 5 ( 0.000002, 3.964777, 6.595529 ) 0.29652970
WF centre and spread 6 ( -0.000002, 3.964551, 6.595529 ) 0.29651385
Sum of centres and spreads ( -0.000000, 23.787986, 19.807000 ) 1.78023822
430 -0.144E-06 0.0012472194 1.7802382154 0.13 <-- CONV
O_D= 0.0000000 O_OD= 0.0016664 O_TOT= 1.7802382 <-- SPRD
Delta: O_D= 0.2186345E-10 O_OD= -0.1444862E-06 O_TOT= -0.1444643E-06 <-- DLTA
------------------------------------------------------------------------------
Cycle: 440
WF centre and spread 1 ( 0.000000, 3.964664, 0.006792 ) 0.29707556
WF centre and spread 2 ( -0.000002, 3.964552, 0.006804 ) 0.29652971
WF centre and spread 3 ( 0.000002, 3.964778, 0.006804 ) 0.29651361
WF centre and spread 4 ( -0.000000, 3.964664, 6.595541 ) 0.29707556
WF centre and spread 5 ( 0.000002, 3.964777, 6.595529 ) 0.29652970
WF centre and spread 6 ( -0.000002, 3.964551, 6.595529 ) 0.29651361
Sum of centres and spreads ( -0.000000, 23.787986, 19.807000 ) 1.78023775
440 -0.180E-07 0.0002540822 1.7802377517 0.14 <-- CONV
O_D= 0.0000000 O_OD= 0.0016659 O_TOT= 1.7802378 <-- SPRD
Delta: O_D= -0.5733698E-09 O_OD= -0.1740247E-07 O_TOT= -0.1797584E-07 <-- DLTA
------------------------------------------------------------------------------
Cycle: 450
WF centre and spread 1 ( 0.000000, 3.964664, 0.006792 ) 0.29707558
WF centre and spread 2 ( -0.000002, 3.964552, 0.006804 ) 0.29652971
WF centre and spread 3 ( 0.000002, 3.964778, 0.006804 ) 0.29651334
WF centre and spread 4 ( -0.000000, 3.964664, 6.595541 ) 0.29707557
WF centre and spread 5 ( 0.000002, 3.964777, 6.595529 ) 0.29652970
WF centre and spread 6 ( -0.000002, 3.964551, 6.595529 ) 0.29651334
Sum of centres and spreads ( -0.000000, 23.787986, 19.807000 ) 1.78023723
450 -0.437E-07 0.0006716164 1.7802372329 0.14 <-- CONV
O_D= 0.0000000 O_OD= 0.0016654 O_TOT= 1.7802372 <-- SPRD
Delta: O_D= 0.8279739E-10 O_OD= -0.4381720E-07 O_TOT= -0.4373440E-07 <-- DLTA
------------------------------------------------------------------------------
Cycle: 460
WF centre and spread 1 ( 0.000000, 3.964664, 0.006792 ) 0.29707559
WF centre and spread 2 ( -0.000002, 3.964552, 0.006804 ) 0.29652971
WF centre and spread 3 ( 0.000002, 3.964778, 0.006804 ) 0.29651310
WF centre and spread 4 ( -0.000000, 3.964664, 6.595541 ) 0.29707558
WF centre and spread 5 ( 0.000002, 3.964777, 6.595529 ) 0.29652970
WF centre and spread 6 ( -0.000002, 3.964551, 6.595529 ) 0.29651310
Sum of centres and spreads ( -0.000000, 23.787986, 19.807000 ) 1.78023678
460 -0.109E-07 0.0002521084 1.7802367768 0.14 <-- CONV
O_D= 0.0000000 O_OD= 0.0016650 O_TOT= 1.7802368 <-- SPRD
Delta: O_D= 0.1908706E-08 O_OD= -0.1283540E-07 O_TOT= -0.1092669E-07 <-- DLTA
------------------------------------------------------------------------------
Cycle: 470
WF centre and spread 1 ( 0.000000, 3.964664, 0.006792 ) 0.29707560
WF centre and spread 2 ( -0.000002, 3.964552, 0.006804 ) 0.29652971
WF centre and spread 3 ( 0.000002, 3.964778, 0.006804 ) 0.29651274
WF centre and spread 4 ( -0.000000, 3.964664, 6.595541 ) 0.29707559
WF centre and spread 5 ( 0.000002, 3.964777, 6.595529 ) 0.29652970
WF centre and spread 6 ( -0.000002, 3.964551, 6.595529 ) 0.29651273
Sum of centres and spreads ( -0.000000, 23.787986, 19.807000 ) 1.78023607
470 -0.139E-06 0.0012249865 1.7802360736 0.15 <-- CONV
O_D= 0.0000000 O_OD= 0.0016643 O_TOT= 1.7802361 <-- SPRD
Delta: O_D= 0.2210515E-10 O_OD= -0.1393937E-06 O_TOT= -0.1393716E-06 <-- DLTA
------------------------------------------------------------------------------
Cycle: 480
WF centre and spread 1 ( 0.000000, 3.964664, 0.006792 ) 0.29707561
WF centre and spread 2 ( -0.000002, 3.964552, 0.006804 ) 0.29652971
WF centre and spread 3 ( 0.000002, 3.964778, 0.006804 ) 0.29651250
WF centre and spread 4 ( -0.000000, 3.964664, 6.595541 ) 0.29707560
WF centre and spread 5 ( 0.000002, 3.964777, 6.595529 ) 0.29652970
WF centre and spread 6 ( -0.000002, 3.964551, 6.595529 ) 0.29651250
Sum of centres and spreads ( -0.000000, 23.787986, 19.807000 ) 1.78023563
480 -0.173E-07 0.0002498854 1.7802356266 0.15 <-- CONV
O_D= 0.0000000 O_OD= 0.0016638 O_TOT= 1.7802356 <-- SPRD
Delta: O_D= -0.5550757E-09 O_OD= -0.1677935E-07 O_TOT= -0.1733443E-07 <-- DLTA
------------------------------------------------------------------------------
Cycle: 490
WF centre and spread 1 ( 0.000000, 3.964664, 0.006792 ) 0.29707563
WF centre and spread 2 ( -0.000002, 3.964552, 0.006804 ) 0.29652971
WF centre and spread 3 ( 0.000002, 3.964778, 0.006804 ) 0.29651224
WF centre and spread 4 ( -0.000000, 3.964664, 6.595541 ) 0.29707562
WF centre and spread 5 ( 0.000002, 3.964777, 6.595529 ) 0.29652970
WF centre and spread 6 ( -0.000002, 3.964551, 6.595529 ) 0.29651223
Sum of centres and spreads ( -0.000000, 23.787986, 19.807000 ) 1.78023513
490 -0.420E-07 0.0006577729 1.7802351269 0.15 <-- CONV
O_D= 0.0000000 O_OD= 0.0016633 O_TOT= 1.7802351 <-- SPRD
Delta: O_D= 0.8105964E-10 O_OD= -0.4205561E-07 O_TOT= -0.4197455E-07 <-- DLTA
------------------------------------------------------------------------------
Cycle: 500
WF centre and spread 1 ( 0.000000, 3.964664, 0.006792 ) 0.29707564
WF centre and spread 2 ( -0.000002, 3.964552, 0.006804 ) 0.29652971
WF centre and spread 3 ( 0.000002, 3.964778, 0.006804 ) 0.29651201
WF centre and spread 4 ( -0.000000, 3.964664, 6.595541 ) 0.29707563
WF centre and spread 5 ( 0.000002, 3.964777, 6.595529 ) 0.29652970
WF centre and spread 6 ( -0.000002, 3.964551, 6.595529 ) 0.29651200
Sum of centres and spreads ( -0.000000, 23.787986, 19.807000 ) 1.78023469
500 -0.106E-07 0.0002480079 1.7802346876 0.15 <-- CONV
O_D= 0.0000000 O_OD= 0.0016629 O_TOT= 1.7802347 <-- SPRD
Delta: O_D= 0.1840297E-08 O_OD= -0.1242300E-07 O_TOT= -0.1058270E-07 <-- DLTA
------------------------------------------------------------------------------
Writing checkpoint file wann.chk... done
Cycle: 510
WF centre and spread 1 ( 0.000000, 3.964664, 0.006792 ) 0.29707565
WF centre and spread 2 ( -0.000002, 3.964552, 0.006804 ) 0.29652971
WF centre and spread 3 ( 0.000002, 3.964778, 0.006804 ) 0.29651166
WF centre and spread 4 ( -0.000000, 3.964664, 6.595541 ) 0.29707565
WF centre and spread 5 ( 0.000002, 3.964777, 6.595529 ) 0.29652970
WF centre and spread 6 ( -0.000002, 3.964551, 6.595529 ) 0.29651165
Sum of centres and spreads ( -0.000000, 23.787986, 19.807000 ) 1.78023401
510 -0.134E-06 0.0012023254 1.7802340104 0.16 <-- CONV
O_D= 0.0000000 O_OD= 0.0016622 O_TOT= 1.7802340 <-- SPRD
Delta: O_D= 0.2134034E-10 O_OD= -0.1342841E-06 O_TOT= -0.1342627E-06 <-- DLTA
------------------------------------------------------------------------------
Cycle: 520
WF centre and spread 1 ( 0.000000, 3.964664, 0.006792 ) 0.29707566
WF centre and spread 2 ( -0.000002, 3.964552, 0.006804 ) 0.29652971
WF centre and spread 3 ( 0.000002, 3.964778, 0.006804 ) 0.29651143
WF centre and spread 4 ( -0.000000, 3.964664, 6.595541 ) 0.29707566
WF centre and spread 5 ( 0.000002, 3.964777, 6.595529 ) 0.29652970
WF centre and spread 6 ( -0.000002, 3.964551, 6.595529 ) 0.29651142
Sum of centres and spreads ( -0.000000, 23.787986, 19.807000 ) 1.78023358
520 -0.167E-07 0.0002459377 1.7802335803 0.16 <-- CONV
O_D= 0.0000000 O_OD= 0.0016618 O_TOT= 1.7802336 <-- SPRD
Delta: O_D= -0.5373748E-09 O_OD= -0.1614613E-07 O_TOT= -0.1668350E-07 <-- DLTA
------------------------------------------------------------------------------
Cycle: 530
WF centre and spread 1 ( 0.000000, 3.964664, 0.006792 ) 0.29707568
WF centre and spread 2 ( -0.000002, 3.964552, 0.006804 ) 0.29652971
WF centre and spread 3 ( 0.000002, 3.964778, 0.006804 ) 0.29651118
WF centre and spread 4 ( -0.000000, 3.964664, 6.595541 ) 0.29707567
WF centre and spread 5 ( 0.000002, 3.964777, 6.595529 ) 0.29652970
WF centre and spread 6 ( -0.000002, 3.964551, 6.595529 ) 0.29651117
Sum of centres and spreads ( -0.000000, 23.787986, 19.807000 ) 1.78023310
530 -0.400E-07 0.0006418242 1.7802331006 0.16 <-- CONV
O_D= 0.0000000 O_OD= 0.0016613 O_TOT= 1.7802331 <-- SPRD
Delta: O_D= 0.8110794E-10 O_OD= -0.4010585E-07 O_TOT= -0.4002474E-07 <-- DLTA
------------------------------------------------------------------------------
Cycle: 540
WF centre and spread 1 ( 0.000000, 3.964664, 0.006792 ) 0.29707569
WF centre and spread 2 ( -0.000002, 3.964552, 0.006804 ) 0.29652971
WF centre and spread 3 ( 0.000002, 3.964778, 0.006804 ) 0.29651095
WF centre and spread 4 ( -0.000000, 3.964664, 6.595541 ) 0.29707568
WF centre and spread 5 ( 0.000002, 3.964777, 6.595529 ) 0.29652970
WF centre and spread 6 ( -0.000002, 3.964551, 6.595529 ) 0.29651095
Sum of centres and spreads ( -0.000000, 23.787986, 19.807000 ) 1.78023268
540 -0.103E-07 0.0002441691 1.7802326783 0.17 <-- CONV
O_D= 0.0000000 O_OD= 0.0016609 O_TOT= 1.7802327 <-- SPRD
Delta: O_D= 0.1772161E-08 O_OD= -0.1204830E-07 O_TOT= -0.1027614E-07 <-- DLTA
------------------------------------------------------------------------------
Cycle: 550
WF centre and spread 1 ( 0.000000, 3.964664, 0.006792 ) 0.29707571
WF centre and spread 2 ( -0.000002, 3.964552, 0.006804 ) 0.29652971
WF centre and spread 3 ( 0.000002, 3.964778, 0.006804 ) 0.29651061
WF centre and spread 4 ( -0.000000, 3.964664, 6.595541 ) 0.29707570
WF centre and spread 5 ( 0.000002, 3.964777, 6.595529 ) 0.29652970
WF centre and spread 6 ( -0.000002, 3.964551, 6.595529 ) 0.29651060
Sum of centres and spreads ( -0.000000, 23.787986, 19.807000 ) 1.78023203
550 -0.129E-06 0.0011793065 1.7802320275 0.17 <-- CONV
O_D= 0.0000000 O_OD= 0.0016602 O_TOT= 1.7802320 <-- SPRD
Delta: O_D= 0.1955165E-10 O_OD= -0.1291780E-06 O_TOT= -0.1291584E-06 <-- DLTA
------------------------------------------------------------------------------
Cycle: 560
WF centre and spread 1 ( 0.000000, 3.964664, 0.006792 ) 0.29707572
WF centre and spread 2 ( -0.000002, 3.964552, 0.006804 ) 0.29652971
WF centre and spread 3 ( 0.000002, 3.964778, 0.006804 ) 0.29651039
WF centre and spread 4 ( -0.000000, 3.964664, 6.595541 ) 0.29707571
WF centre and spread 5 ( 0.000002, 3.964777, 6.595529 ) 0.29652970
WF centre and spread 6 ( -0.000002, 3.964551, 6.595529 ) 0.29651039
Sum of centres and spreads ( -0.000000, 23.787986, 19.807000 ) 1.78023162
560 -0.160E-07 0.0002421907 1.7802316144 0.17 <-- CONV
O_D= 0.0000000 O_OD= 0.0016598 O_TOT= 1.7802316 <-- SPRD
Delta: O_D= -0.5205418E-09 O_OD= -0.1551764E-07 O_TOT= -0.1603818E-07 <-- DLTA
------------------------------------------------------------------------------
Cycle: 570
WF centre and spread 1 ( 0.000000, 3.964664, 0.006792 ) 0.29707573
WF centre and spread 2 ( -0.000002, 3.964552, 0.006804 ) 0.29652971
WF centre and spread 3 ( 0.000002, 3.964778, 0.006804 ) 0.29651015
WF centre and spread 4 ( -0.000000, 3.964664, 6.595541 ) 0.29707572
WF centre and spread 5 ( 0.000002, 3.964777, 6.595529 ) 0.29652970
WF centre and spread 6 ( -0.000002, 3.964551, 6.595529 ) 0.29651014
Sum of centres and spreads ( -0.000000, 23.787986, 19.807000 ) 1.78023116
570 -0.381E-07 0.0006254206 1.7802311545 0.18 <-- CONV
O_D= 0.0000000 O_OD= 0.0016593 O_TOT= 1.7802312 <-- SPRD
Delta: O_D= 0.8152179E-10 O_OD= -0.3815416E-07 O_TOT= -0.3807264E-07 <-- DLTA
------------------------------------------------------------------------------
Cycle: 580
WF centre and spread 1 ( 0.000000, 3.964664, 0.006792 ) 0.29707574
WF centre and spread 2 ( -0.000002, 3.964552, 0.006804 ) 0.29652971
WF centre and spread 3 ( 0.000002, 3.964778, 0.006804 ) 0.29650994
WF centre and spread 4 ( -0.000000, 3.964664, 6.595541 ) 0.29707574
WF centre and spread 5 ( 0.000002, 3.964777, 6.595529 ) 0.29652970
WF centre and spread 6 ( -0.000002, 3.964551, 6.595529 ) 0.29650993
Sum of centres and spreads ( -0.000000, 23.787986, 19.807000 ) 1.78023075
580 -0.998E-08 0.0002404394 1.7802307488 0.18 <-- CONV
O_D= 0.0000000 O_OD= 0.0016589 O_TOT= 1.7802307 <-- SPRD
Delta: O_D= 0.1705946E-08 O_OD= -0.1168813E-07 O_TOT= -0.9982184E-08 <-- DLTA
------------------------------------------------------------------------------
Cycle: 590
WF centre and spread 1 ( 0.000000, 3.964664, 0.006792 ) 0.29707576
WF centre and spread 2 ( -0.000002, 3.964552, 0.006804 ) 0.29652971
WF centre and spread 3 ( 0.000002, 3.964778, 0.006804 ) 0.29650960
WF centre and spread 4 ( -0.000000, 3.964664, 6.595541 ) 0.29707575
WF centre and spread 5 ( 0.000002, 3.964777, 6.595529 ) 0.29652970
WF centre and spread 6 ( -0.000002, 3.964551, 6.595529 ) 0.29650959
Sum of centres and spreads ( -0.000000, 23.787986, 19.807000 ) 1.78023012
590 -0.124E-06 0.0011570819 1.7802301230 0.18 <-- CONV
O_D= 0.0000000 O_OD= 0.0016583 O_TOT= 1.7802301 <-- SPRD
Delta: O_D= 0.1876568E-10 O_OD= -0.1243537E-06 O_TOT= -0.1243349E-06 <-- DLTA
------------------------------------------------------------------------------
Cycle: 600
WF centre and spread 1 ( 0.000000, 3.964664, 0.006792 ) 0.29707577
WF centre and spread 2 ( -0.000002, 3.964552, 0.006804 ) 0.29652971
WF centre and spread 3 ( 0.000002, 3.964778, 0.006804 ) 0.29650939
WF centre and spread 4 ( -0.000000, 3.964664, 6.595541 ) 0.29707576
WF centre and spread 5 ( 0.000002, 3.964777, 6.595529 ) 0.29652970
WF centre and spread 6 ( -0.000002, 3.964551, 6.595529 ) 0.29650939
Sum of centres and spreads ( -0.000000, 23.787986, 19.807000 ) 1.78022973
600 -0.154E-07 0.0002384036 1.7802297256 0.19 <-- CONV
O_D= 0.0000000 O_OD= 0.0016579 O_TOT= 1.7802297 <-- SPRD
Delta: O_D= -0.5052758E-09 O_OD= -0.1493631E-07 O_TOT= -0.1544158E-07 <-- DLTA
------------------------------------------------------------------------------
Writing checkpoint file wann.chk... done
Cycle: 610
WF centre and spread 1 ( 0.000000, 3.964664, 0.006792 ) 0.29707579
WF centre and spread 2 ( -0.000002, 3.964552, 0.006804 ) 0.29652971
WF centre and spread 3 ( 0.000002, 3.964778, 0.006804 ) 0.29650916
WF centre and spread 4 ( -0.000000, 3.964664, 6.595541 ) 0.29707578
WF centre and spread 5 ( 0.000002, 3.964777, 6.595529 ) 0.29652970
WF centre and spread 6 ( -0.000002, 3.964551, 6.595529 ) 0.29650915
Sum of centres and spreads ( -0.000000, 23.787986, 19.807000 ) 1.78022928
610 -0.364E-07 0.0006114794 1.7802292836 0.19 <-- CONV
O_D= 0.0000000 O_OD= 0.0016575 O_TOT= 1.7802293 <-- SPRD
Delta: O_D= 0.8003010E-10 O_OD= -0.3650207E-07 O_TOT= -0.3642204E-07 <-- DLTA
------------------------------------------------------------------------------
Cycle: 620
WF centre and spread 1 ( 0.000000, 3.964664, 0.006792 ) 0.29707580
WF centre and spread 2 ( -0.000002, 3.964552, 0.006804 ) 0.29652971
WF centre and spread 3 ( 0.000002, 3.964778, 0.006804 ) 0.29650895
WF centre and spread 4 ( -0.000000, 3.964664, 6.595541 ) 0.29707579
WF centre and spread 5 ( 0.000002, 3.964777, 6.595529 ) 0.29652970
WF centre and spread 6 ( -0.000002, 3.964551, 6.595529 ) 0.29650894
Sum of centres and spreads ( -0.000000, 23.787986, 19.807000 ) 1.78022889
620 -0.967E-08 0.0002365939 1.7802288929 0.19 <-- CONV
O_D= 0.0000000 O_OD= 0.0016571 O_TOT= 1.7802289 <-- SPRD
Delta: O_D= 0.1643996E-08 O_OD= -0.1131621E-07 O_TOT= -0.9672210E-08 <-- DLTA
------------------------------------------------------------------------------
Cycle: 630
WF centre and spread 1 ( 0.000000, 3.964664, 0.006792 ) 0.29707582
WF centre and spread 2 ( -0.000002, 3.964552, 0.006804 ) 0.29652971
WF centre and spread 3 ( 0.000002, 3.964778, 0.006804 ) 0.29650863
WF centre and spread 4 ( -0.000000, 3.964664, 6.595541 ) 0.29707581
WF centre and spread 5 ( 0.000002, 3.964777, 6.595529 ) 0.29652970
WF centre and spread 6 ( -0.000002, 3.964551, 6.595529 ) 0.29650862
Sum of centres and spreads ( -0.000000, 23.787986, 19.807000 ) 1.78022829
630 -0.120E-06 0.0011361737 1.7802282899 0.19 <-- CONV
O_D= 0.0000000 O_OD= 0.0016565 O_TOT= 1.7802283 <-- SPRD
Delta: O_D= 0.1890107E-10 O_OD= -0.1199102E-06 O_TOT= -0.1198913E-06 <-- DLTA
------------------------------------------------------------------------------
Cycle: 640
WF centre and spread 1 ( 0.000000, 3.964664, 0.006792 ) 0.29707583
WF centre and spread 2 ( -0.000002, 3.964552, 0.006804 ) 0.29652971
WF centre and spread 3 ( 0.000002, 3.964778, 0.006804 ) 0.29650843
WF centre and spread 4 ( -0.000000, 3.964664, 6.595541 ) 0.29707582
WF centre and spread 5 ( 0.000002, 3.964777, 6.595529 ) 0.29652970
WF centre and spread 6 ( -0.000002, 3.964551, 6.595529 ) 0.29650842
Sum of centres and spreads ( -0.000000, 23.787986, 19.807000 ) 1.78022791
640 -0.149E-07 0.0002344717 1.7802279069 0.20 <-- CONV
O_D= 0.0000000 O_OD= 0.0016561 O_TOT= 1.7802279 <-- SPRD
Delta: O_D= -0.4897482E-09 O_OD= -0.1440466E-07 O_TOT= -0.1489441E-07 <-- DLTA
------------------------------------------------------------------------------
Cycle: 650
WF centre and spread 1 ( 0.000000, 3.964664, 0.006792 ) 0.29707585
WF centre and spread 2 ( -0.000002, 3.964552, 0.006804 ) 0.29652971
WF centre and spread 3 ( 0.000002, 3.964778, 0.006804 ) 0.29650820
WF centre and spread 4 ( -0.000000, 3.964664, 6.595541 ) 0.29707584
WF centre and spread 5 ( 0.000002, 3.964777, 6.595529 ) 0.29652970
WF centre and spread 6 ( -0.000002, 3.964551, 6.595529 ) 0.29650819
Sum of centres and spreads ( -0.000000, 23.787986, 19.807000 ) 1.78022748
650 -0.350E-07 0.0005997240 1.7802274808 0.20 <-- CONV
O_D= 0.0000000 O_OD= 0.0016557 O_TOT= 1.7802275 <-- SPRD
Delta: O_D= 0.7753288E-10 O_OD= -0.3511837E-07 O_TOT= -0.3504084E-07 <-- DLTA
------------------------------------------------------------------------------
Cycle: 660
WF centre and spread 1 ( 0.000000, 3.964664, 0.006792 ) 0.29707586
WF centre and spread 2 ( -0.000002, 3.964552, 0.006804 ) 0.29652971
WF centre and spread 3 ( 0.000002, 3.964778, 0.006804 ) 0.29650800
WF centre and spread 4 ( -0.000000, 3.964664, 6.595541 ) 0.29707585
WF centre and spread 5 ( 0.000002, 3.964777, 6.595529 ) 0.29652970
WF centre and spread 6 ( -0.000002, 3.964551, 6.595529 ) 0.29650799
Sum of centres and spreads ( -0.000000, 23.787986, 19.807000 ) 1.78022710
660 -0.935E-08 0.0002326278 1.7802271040 0.20 <-- CONV
O_D= 0.0000000 O_OD= 0.0016553 O_TOT= 1.7802271 <-- SPRD
Delta: O_D= 0.1586297E-08 O_OD= -0.1093863E-07 O_TOT= -0.9352336E-08 <-- DLTA
------------------------------------------------------------------------------
Cycle: 670
WF centre and spread 1 ( 0.000000, 3.964664, 0.006792 ) 0.29707588
WF centre and spread 2 ( -0.000002, 3.964552, 0.006804 ) 0.29652971
WF centre and spread 3 ( 0.000002, 3.964778, 0.006804 ) 0.29650769
WF centre and spread 4 ( -0.000000, 3.964664, 6.595541 ) 0.29707587
WF centre and spread 5 ( 0.000002, 3.964777, 6.595529 ) 0.29652970
WF centre and spread 6 ( -0.000002, 3.964551, 6.595529 ) 0.29650768
Sum of centres and spreads ( -0.000000, 23.787986, 19.807000 ) 1.78022652
670 -0.116E-06 0.0011161530 1.7802265221 0.21 <-- CONV
O_D= 0.0000000 O_OD= 0.0016547 O_TOT= 1.7802265 <-- SPRD
Delta: O_D= 0.1904580E-10 O_OD= -0.1157317E-06 O_TOT= -0.1157126E-06 <-- DLTA
------------------------------------------------------------------------------
Cycle: 680
WF centre and spread 1 ( 0.000000, 3.964664, 0.006792 ) 0.29707589
WF centre and spread 2 ( -0.000002, 3.964552, 0.006804 ) 0.29652971
WF centre and spread 3 ( 0.000002, 3.964778, 0.006804 ) 0.29650749
WF centre and spread 4 ( -0.000000, 3.964664, 6.595541 ) 0.29707588
WF centre and spread 5 ( 0.000002, 3.964777, 6.595529 ) 0.29652970
WF centre and spread 6 ( -0.000002, 3.964551, 6.595529 ) 0.29650748
Sum of centres and spreads ( -0.000000, 23.787986, 19.807000 ) 1.78022615
680 -0.144E-07 0.0002304782 1.7802261524 0.21 <-- CONV
O_D= 0.0000000 O_OD= 0.0016543 O_TOT= 1.7802262 <-- SPRD
Delta: O_D= -0.4736562E-09 O_OD= -0.1390374E-07 O_TOT= -0.1437740E-07 <-- DLTA
------------------------------------------------------------------------------
Cycle: 690
WF centre and spread 1 ( 0.000000, 3.964664, 0.006792 ) 0.29707591
WF centre and spread 2 ( -0.000002, 3.964552, 0.006804 ) 0.29652971
WF centre and spread 3 ( 0.000002, 3.964778, 0.006804 ) 0.29650727
WF centre and spread 4 ( -0.000000, 3.964664, 6.595541 ) 0.29707590
WF centre and spread 5 ( 0.000002, 3.964777, 6.595529 ) 0.29652970
WF centre and spread 6 ( -0.000002, 3.964551, 6.595529 ) 0.29650726
Sum of centres and spreads ( -0.000000, 23.787986, 19.807000 ) 1.78022574
690 -0.338E-07 0.0005889482 1.7802257413 0.21 <-- CONV
O_D= 0.0000000 O_OD= 0.0016539 O_TOT= 1.7802257 <-- SPRD
Delta: O_D= 0.7493941E-10 O_OD= -0.3386967E-07 O_TOT= -0.3379473E-07 <-- DLTA
------------------------------------------------------------------------------
Cycle: 700
WF centre and spread 1 ( 0.000000, 3.964664, 0.006792 ) 0.29707592
WF centre and spread 2 ( -0.000002, 3.964552, 0.006804 ) 0.29652971
WF centre and spread 3 ( 0.000002, 3.964778, 0.006804 ) 0.29650707
WF centre and spread 4 ( -0.000000, 3.964664, 6.595541 ) 0.29707591
WF centre and spread 5 ( 0.000002, 3.964777, 6.595529 ) 0.29652970
WF centre and spread 6 ( -0.000002, 3.964551, 6.595529 ) 0.29650706
Sum of centres and spreads ( -0.000000, 23.787986, 19.807000 ) 1.78022538
700 -0.903E-08 0.0002286343 1.7802253775 0.22 <-- CONV
O_D= 0.0000000 O_OD= 0.0016536 O_TOT= 1.7802254 <-- SPRD
Delta: O_D= 0.1531566E-08 O_OD= -0.1056628E-07 O_TOT= -0.9034718E-08 <-- DLTA
------------------------------------------------------------------------------
Writing checkpoint file wann.chk... done
Cycle: 710
WF centre and spread 1 ( 0.000000, 3.964664, 0.006792 ) 0.29707594
WF centre and spread 2 ( -0.000002, 3.964552, 0.006804 ) 0.29652971
WF centre and spread 3 ( 0.000002, 3.964778, 0.006804 ) 0.29650677
WF centre and spread 4 ( -0.000000, 3.964664, 6.595541 ) 0.29707593
WF centre and spread 5 ( 0.000002, 3.964777, 6.595529 ) 0.29652970
WF centre and spread 6 ( -0.000002, 3.964551, 6.595529 ) 0.29650676
Sum of centres and spreads ( -0.000000, 23.787986, 19.807000 ) 1.78022482
710 -0.112E-06 0.0010966423 1.7802248158 0.22 <-- CONV
O_D= 0.0000000 O_OD= 0.0016530 O_TOT= 1.7802248 <-- SPRD
Delta: O_D= 0.1908397E-10 O_OD= -0.1117299E-06 O_TOT= -0.1117108E-06 <-- DLTA
------------------------------------------------------------------------------
Cycle: 720
WF centre and spread 1 ( 0.000000, 3.964664, 0.006792 ) 0.29707595
WF centre and spread 2 ( -0.000002, 3.964552, 0.006804 ) 0.29652971
WF centre and spread 3 ( 0.000002, 3.964778, 0.006804 ) 0.29650658
WF centre and spread 4 ( -0.000000, 3.964664, 6.595541 ) 0.29707594
WF centre and spread 5 ( 0.000002, 3.964777, 6.595529 ) 0.29652970
WF centre and spread 6 ( -0.000002, 3.964551, 6.595529 ) 0.29650657
Sum of centres and spreads ( -0.000000, 23.787986, 19.807000 ) 1.78022446
720 -0.139E-07 0.0002264949 1.7802244590 0.22 <-- CONV
O_D= 0.0000000 O_OD= 0.0016526 O_TOT= 1.7802245 <-- SPRD
Delta: O_D= -0.4575238E-09 O_OD= -0.1342305E-07 O_TOT= -0.1388058E-07 <-- DLTA
------------------------------------------------------------------------------
Cycle: 730
WF centre and spread 1 ( 0.000000, 3.964664, 0.006792 ) 0.29707597
WF centre and spread 2 ( -0.000002, 3.964552, 0.006804 ) 0.29652971
WF centre and spread 3 ( 0.000002, 3.964778, 0.006804 ) 0.29650637
WF centre and spread 4 ( -0.000000, 3.964664, 6.595541 ) 0.29707596
WF centre and spread 5 ( 0.000002, 3.964777, 6.595529 ) 0.29652970
WF centre and spread 6 ( -0.000002, 3.964551, 6.595529 ) 0.29650636
Sum of centres and spreads ( -0.000000, 23.787986, 19.807000 ) 1.78022406
730 -0.326E-07 0.0005785828 1.7802240621 0.23 <-- CONV
O_D= 0.0000000 O_OD= 0.0016522 O_TOT= 1.7802241 <-- SPRD
Delta: O_D= 0.7242750E-10 O_OD= -0.3268980E-07 O_TOT= -0.3261738E-07 <-- DLTA
------------------------------------------------------------------------------
Cycle: 740
WF centre and spread 1 ( 0.000000, 3.964664, 0.006792 ) 0.29707598
WF centre and spread 2 ( -0.000002, 3.964552, 0.006804 ) 0.29652971
WF centre and spread 3 ( 0.000002, 3.964778, 0.006804 ) 0.29650618
WF centre and spread 4 ( -0.000000, 3.964664, 6.595541 ) 0.29707597
WF centre and spread 5 ( 0.000002, 3.964777, 6.595529 ) 0.29652970
WF centre and spread 6 ( -0.000002, 3.964551, 6.595529 ) 0.29650617
Sum of centres and spreads ( -0.000000, 23.787986, 19.807000 ) 1.78022371
740 -0.872E-08 0.0002246687 1.7802237109 0.23 <-- CONV
O_D= 0.0000000 O_OD= 0.0016519 O_TOT= 1.7802237 <-- SPRD
Delta: O_D= 0.1478962E-08 O_OD= -0.1020359E-07 O_TOT= -0.8724629E-08 <-- DLTA
------------------------------------------------------------------------------
Cycle: 750
WF centre and spread 1 ( 0.000000, 3.964664, 0.006792 ) 0.29707600
WF centre and spread 2 ( -0.000002, 3.964552, 0.006804 ) 0.29652971
WF centre and spread 3 ( 0.000002, 3.964778, 0.006804 ) 0.29650588
WF centre and spread 4 ( -0.000000, 3.964664, 6.595541 ) 0.29707600
WF centre and spread 5 ( 0.000002, 3.964777, 6.595529 ) 0.29652970
WF centre and spread 6 ( -0.000002, 3.964551, 6.595529 ) 0.29650588
Sum of centres and spreads ( -0.000000, 23.787986, 19.807000 ) 1.78022317
750 -0.108E-06 0.0010774825 1.7802231686 0.23 <-- CONV
O_D= 0.0000000 O_OD= 0.0016514 O_TOT= 1.7802232 <-- SPRD
Delta: O_D= 0.1902035E-10 O_OD= -0.1078674E-06 O_TOT= -0.1078484E-06 <-- DLTA
------------------------------------------------------------------------------
Cycle: 760
WF centre and spread 1 ( 0.000000, 3.964664, 0.006792 ) 0.29707602
WF centre and spread 2 ( -0.000002, 3.964552, 0.006804 ) 0.29652971
WF centre and spread 3 ( 0.000002, 3.964778, 0.006804 ) 0.29650570
WF centre and spread 4 ( -0.000000, 3.964664, 6.595541 ) 0.29707601
WF centre and spread 5 ( 0.000002, 3.964777, 6.595529 ) 0.29652970
WF centre and spread 6 ( -0.000002, 3.964551, 6.595529 ) 0.29650569
Sum of centres and spreads ( -0.000000, 23.787986, 19.807000 ) 1.78022283
760 -0.134E-07 0.0002225547 1.7802228241 0.23 <-- CONV
O_D= 0.0000000 O_OD= 0.0016510 O_TOT= 1.7802228 <-- SPRD
Delta: O_D= -0.4417452E-09 O_OD= -0.1295858E-07 O_TOT= -0.1340032E-07 <-- DLTA
------------------------------------------------------------------------------
Cycle: 770
WF centre and spread 1 ( 0.000000, 3.964664, 0.006792 ) 0.29707603
WF centre and spread 2 ( -0.000002, 3.964552, 0.006804 ) 0.29652971
WF centre and spread 3 ( 0.000002, 3.964778, 0.006804 ) 0.29650549
WF centre and spread 4 ( -0.000000, 3.964664, 6.595541 ) 0.29707602
WF centre and spread 5 ( 0.000002, 3.964777, 6.595529 ) 0.29652970
WF centre and spread 6 ( -0.000002, 3.964551, 6.595529 ) 0.29650549
Sum of centres and spreads ( -0.000000, 23.787986, 19.807000 ) 1.78022244
770 -0.315E-07 0.0005684415 1.7802224410 0.24 <-- CONV
O_D= 0.0000000 O_OD= 0.0016506 O_TOT= 1.7802224 <-- SPRD
Delta: O_D= 0.6995582E-10 O_OD= -0.3155473E-07 O_TOT= -0.3148478E-07 <-- DLTA
------------------------------------------------------------------------------
Cycle: 780
WF centre and spread 1 ( 0.000000, 3.964664, 0.006792 ) 0.29707605
WF centre and spread 2 ( -0.000002, 3.964552, 0.006804 ) 0.29652971
WF centre and spread 3 ( 0.000002, 3.964778, 0.006804 ) 0.29650531
WF centre and spread 4 ( -0.000000, 3.964664, 6.595541 ) 0.29707604
WF centre and spread 5 ( 0.000002, 3.964777, 6.595529 ) 0.29652970
WF centre and spread 6 ( -0.000002, 3.964551, 6.595529 ) 0.29650530
Sum of centres and spreads ( -0.000000, 23.787986, 19.807000 ) 1.78022210
780 -0.842E-08 0.0002207508 1.7802221019 0.24 <-- CONV
O_D= 0.0000000 O_OD= 0.0016503 O_TOT= 1.7802221 <-- SPRD
Delta: O_D= 0.1428104E-08 O_OD= -0.9851685E-08 O_TOT= -0.8423581E-08 <-- DLTA
------------------------------------------------------------------------------
Cycle: 790
WF centre and spread 1 ( 0.000000, 3.964664, 0.006792 ) 0.29707607
WF centre and spread 2 ( -0.000002, 3.964552, 0.006804 ) 0.29652971
WF centre and spread 3 ( 0.000002, 3.964778, 0.006804 ) 0.29650502
WF centre and spread 4 ( -0.000000, 3.964664, 6.595541 ) 0.29707606
WF centre and spread 5 ( 0.000002, 3.964777, 6.595529 ) 0.29652970
WF centre and spread 6 ( -0.000002, 3.964551, 6.595529 ) 0.29650502
Sum of centres and spreads ( -0.000000, 23.787986, 19.807000 ) 1.78022158
790 -0.104E-06 0.0010586191 1.7802215784 0.24 <-- CONV
O_D= 0.0000000 O_OD= 0.0016498 O_TOT= 1.7802216 <-- SPRD
Delta: O_D= 0.1893586E-10 O_OD= -0.1041309E-06 O_TOT= -0.1041120E-06 <-- DLTA
------------------------------------------------------------------------------
Cycle: 800
WF centre and spread 1 ( 0.000000, 3.964664, 0.006792 ) 0.29707608
WF centre and spread 2 ( -0.000002, 3.964552, 0.006804 ) 0.29652971
WF centre and spread 3 ( 0.000002, 3.964778, 0.006804 ) 0.29650484
WF centre and spread 4 ( -0.000000, 3.964664, 6.595541 ) 0.29707607
WF centre and spread 5 ( 0.000002, 3.964777, 6.595529 ) 0.29652970
WF centre and spread 6 ( -0.000002, 3.964551, 6.595529 ) 0.29650484
Sum of centres and spreads ( -0.000000, 23.787986, 19.807000 ) 1.78022125
800 -0.129E-07 0.0002186623 1.7802212458 0.25 <-- CONV
O_D= 0.0000000 O_OD= 0.0016494 O_TOT= 1.7802212 <-- SPRD
Delta: O_D= -0.4263302E-09 O_OD= -0.1250926E-07 O_TOT= -0.1293559E-07 <-- DLTA
------------------------------------------------------------------------------
Writing checkpoint file wann.chk... done
Cycle: 810
WF centre and spread 1 ( 0.000000, 3.964664, 0.006792 ) 0.29707610
WF centre and spread 2 ( -0.000002, 3.964552, 0.006804 ) 0.29652971
WF centre and spread 3 ( 0.000002, 3.964778, 0.006804 ) 0.29650464
WF centre and spread 4 ( -0.000000, 3.964664, 6.595541 ) 0.29707609
WF centre and spread 5 ( 0.000002, 3.964777, 6.595529 ) 0.29652970
WF centre and spread 6 ( -0.000002, 3.964551, 6.595529 ) 0.29650464
Sum of centres and spreads ( -0.000000, 23.787986, 19.807000 ) 1.78022088
810 -0.304E-07 0.0005584627 1.7802208760 0.25 <-- CONV
O_D= 0.0000000 O_OD= 0.0016491 O_TOT= 1.7802209 <-- SPRD
Delta: O_D= 0.6761549E-10 O_OD= -0.3045875E-07 O_TOT= -0.3039114E-07 <-- DLTA
------------------------------------------------------------------------------
Cycle: 820
WF centre and spread 1 ( 0.000000, 3.964664, 0.006792 ) 0.29707611
WF centre and spread 2 ( -0.000002, 3.964552, 0.006804 ) 0.29652971
WF centre and spread 3 ( 0.000002, 3.964778, 0.006804 ) 0.29650447
WF centre and spread 4 ( -0.000000, 3.964664, 6.595541 ) 0.29707611
WF centre and spread 5 ( 0.000002, 3.964777, 6.595529 ) 0.29652970
WF centre and spread 6 ( -0.000002, 3.964551, 6.595529 ) 0.29650446
Sum of centres and spreads ( -0.000000, 23.787986, 19.807000 ) 1.78022055
820 -0.813E-08 0.0002168825 1.7802205487 0.25 <-- CONV
O_D= 0.0000000 O_OD= 0.0016487 O_TOT= 1.7802205 <-- SPRD
Delta: O_D= 0.1379136E-08 O_OD= -0.9511014E-08 O_TOT= -0.8131878E-08 <-- DLTA
------------------------------------------------------------------------------
Cycle: 830
WF centre and spread 1 ( 0.000000, 3.964664, 0.006792 ) 0.29707614
WF centre and spread 2 ( -0.000002, 3.964552, 0.006804 ) 0.29652971
WF centre and spread 3 ( 0.000002, 3.964778, 0.006804 ) 0.29650419
WF centre and spread 4 ( -0.000000, 3.964664, 6.595541 ) 0.29707613
WF centre and spread 5 ( 0.000002, 3.964777, 6.595529 ) 0.29652970
WF centre and spread 6 ( -0.000002, 3.964551, 6.595529 ) 0.29650418
Sum of centres and spreads ( -0.000000, 23.787986, 19.807000 ) 1.78022004
830 -0.100E-06 0.0010400367 1.7802200434 0.26 <-- CONV
O_D= 0.0000000 O_OD= 0.0016482 O_TOT= 1.7802200 <-- SPRD
Delta: O_D= 0.1878236E-10 O_OD= -0.1005137E-06 O_TOT= -0.1004949E-06 <-- DLTA
------------------------------------------------------------------------------
Cycle: 840
WF centre and spread 1 ( 0.000000, 3.964664, 0.006792 ) 0.29707615
WF centre and spread 2 ( -0.000002, 3.964552, 0.006804 ) 0.29652971
WF centre and spread 3 ( 0.000002, 3.964778, 0.006804 ) 0.29650401
WF centre and spread 4 ( -0.000000, 3.964664, 6.595541 ) 0.29707614
WF centre and spread 5 ( 0.000002, 3.964777, 6.595529 ) 0.29652970
WF centre and spread 6 ( -0.000002, 3.964551, 6.595529 ) 0.29650401
Sum of centres and spreads ( -0.000000, 23.787986, 19.807000 ) 1.78021972
840 -0.125E-07 0.0002148242 1.7802197224 0.26 <-- CONV
O_D= 0.0000000 O_OD= 0.0016479 O_TOT= 1.7802197 <-- SPRD
Delta: O_D= -0.4113599E-09 O_OD= -0.1207427E-07 O_TOT= -0.1248563E-07 <-- DLTA
------------------------------------------------------------------------------
Cycle: 850
WF centre and spread 1 ( 0.000000, 3.964664, 0.006792 ) 0.29707617
WF centre and spread 2 ( -0.000002, 3.964552, 0.006804 ) 0.29652971
WF centre and spread 3 ( 0.000002, 3.964777, 0.006804 ) 0.29650382
WF centre and spread 4 ( -0.000000, 3.964664, 6.595541 ) 0.29707616
WF centre and spread 5 ( 0.000002, 3.964777, 6.595529 ) 0.29652970
WF centre and spread 6 ( -0.000002, 3.964551, 6.595529 ) 0.29650381
Sum of centres and spreads ( -0.000000, 23.787986, 19.807000 ) 1.78021937
850 -0.293E-07 0.0005486334 1.7802193654 0.26 <-- CONV
O_D= 0.0000000 O_OD= 0.0016476 O_TOT= 1.7802194 <-- SPRD
Delta: O_D= 0.6537738E-10 O_OD= -0.2939874E-07 O_TOT= -0.2933337E-07 <-- DLTA
------------------------------------------------------------------------------
Cycle: 860
WF centre and spread 1 ( 0.000000, 3.964664, 0.006792 ) 0.29707618
WF centre and spread 2 ( -0.000002, 3.964552, 0.006804 ) 0.29652971
WF centre and spread 3 ( 0.000002, 3.964777, 0.006804 ) 0.29650365
WF centre and spread 4 ( -0.000000, 3.964664, 6.595541 ) 0.29707617
WF centre and spread 5 ( 0.000002, 3.964777, 6.595529 ) 0.29652970
WF centre and spread 6 ( -0.000002, 3.964551, 6.595529 ) 0.29650364
Sum of centres and spreads ( -0.000000, 23.787986, 19.807000 ) 1.78021905
860 -0.785E-08 0.0002130697 1.7802190495 0.26 <-- CONV
O_D= 0.0000000 O_OD= 0.0016472 O_TOT= 1.7802190 <-- SPRD
Delta: O_D= 0.1331559E-08 O_OD= -0.9180781E-08 O_TOT= -0.7849222E-08 <-- DLTA
------------------------------------------------------------------------------
Cycle: 870
WF centre and spread 1 ( 0.000000, 3.964664, 0.006792 ) 0.29707621
WF centre and spread 2 ( -0.000002, 3.964552, 0.006804 ) 0.29652971
WF centre and spread 3 ( 0.000002, 3.964777, 0.006804 ) 0.29650338
WF centre and spread 4 ( -0.000000, 3.964664, 6.595541 ) 0.29707620
WF centre and spread 5 ( 0.000002, 3.964777, 6.595529 ) 0.29652970
WF centre and spread 6 ( -0.000002, 3.964551, 6.595529 ) 0.29650337
Sum of centres and spreads ( -0.000000, 23.787986, 19.807000 ) 1.78021856
870 -0.970E-07 0.0010217207 1.7802185618 0.27 <-- CONV
O_D= 0.0000000 O_OD= 0.0016467 O_TOT= 1.7802186 <-- SPRD
Delta: O_D= 0.1867134E-10 O_OD= -0.9701154E-07 O_TOT= -0.9699287E-07 <-- DLTA
------------------------------------------------------------------------------
Cycle: 880
WF centre and spread 1 ( 0.000000, 3.964664, 0.006792 ) 0.29707622
WF centre and spread 2 ( -0.000002, 3.964552, 0.006804 ) 0.29652971
WF centre and spread 3 ( 0.000002, 3.964777, 0.006804 ) 0.29650321
WF centre and spread 4 ( -0.000000, 3.964664, 6.595541 ) 0.29707621
WF centre and spread 5 ( 0.000002, 3.964777, 6.595529 ) 0.29652970
WF centre and spread 6 ( -0.000002, 3.964551, 6.595529 ) 0.29650320
Sum of centres and spreads ( -0.000000, 23.787986, 19.807000 ) 1.78021825
880 -0.121E-07 0.0002110433 1.7802182520 0.27 <-- CONV
O_D= 0.0000000 O_OD= 0.0016464 O_TOT= 1.7802183 <-- SPRD
Delta: O_D= -0.3968871E-09 O_OD= -0.1165317E-07 O_TOT= -0.1205006E-07 <-- DLTA
------------------------------------------------------------------------------
Cycle: 890
WF centre and spread 1 ( 0.000000, 3.964664, 0.006792 ) 0.29707624
WF centre and spread 2 ( -0.000002, 3.964552, 0.006804 ) 0.29652971
WF centre and spread 3 ( 0.000002, 3.964777, 0.006804 ) 0.29650302
WF centre and spread 4 ( -0.000000, 3.964664, 6.595541 ) 0.29707623
WF centre and spread 5 ( 0.000002, 3.964777, 6.595529 ) 0.29652970
WF centre and spread 6 ( -0.000002, 3.964551, 6.595529 ) 0.29650302
Sum of centres and spreads ( -0.000000, 23.787986, 19.807000 ) 1.78021791
890 -0.283E-07 0.0005389538 1.7802179075 0.27 <-- CONV
O_D= 0.0000000 O_OD= 0.0016461 O_TOT= 1.7802179 <-- SPRD
Delta: O_D= 0.6318286E-10 O_OD= -0.2837249E-07 O_TOT= -0.2830931E-07 <-- DLTA
------------------------------------------------------------------------------
Cycle: 900
WF centre and spread 1 ( 0.000000, 3.964664, 0.006792 ) 0.29707625
WF centre and spread 2 ( -0.000002, 3.964552, 0.006804 ) 0.29652971
WF centre and spread 3 ( 0.000002, 3.964777, 0.006804 ) 0.29650285
WF centre and spread 4 ( -0.000000, 3.964664, 6.595541 ) 0.29707624
WF centre and spread 5 ( 0.000002, 3.964777, 6.595529 ) 0.29652970
WF centre and spread 6 ( -0.000002, 3.964551, 6.595529 ) 0.29650285
Sum of centres and spreads ( -0.000000, 23.787986, 19.807000 ) 1.78021760
900 -0.758E-08 0.0002093136 1.7802176026 0.28 <-- CONV
O_D= 0.0000000 O_OD= 0.0016458 O_TOT= 1.7802176 <-- SPRD
Delta: O_D= 0.1285337E-08 O_OD= -0.8860764E-08 O_TOT= -0.7575427E-08 <-- DLTA
------------------------------------------------------------------------------
Writing checkpoint file wann.chk... done
Cycle: 910
WF centre and spread 1 ( 0.000000, 3.964664, 0.006792 ) 0.29707628
WF centre and spread 2 ( -0.000002, 3.964552, 0.006804 ) 0.29652971
WF centre and spread 3 ( 0.000002, 3.964777, 0.006804 ) 0.29650260
WF centre and spread 4 ( -0.000000, 3.964664, 6.595541 ) 0.29707627
WF centre and spread 5 ( 0.000002, 3.964777, 6.595529 ) 0.29652970
WF centre and spread 6 ( -0.000002, 3.964551, 6.595529 ) 0.29650259
Sum of centres and spreads ( -0.000000, 23.787986, 19.807000 ) 1.78021713
910 -0.936E-07 0.0010036749 1.7802171319 0.28 <-- CONV
O_D= 0.0000000 O_OD= 0.0016453 O_TOT= 1.7802171 <-- SPRD
Delta: O_D= 0.1854940E-10 O_OD= -0.9362168E-07 O_TOT= -0.9360313E-07 <-- DLTA
------------------------------------------------------------------------------
Cycle: 920
WF centre and spread 1 ( 0.000000, 3.964664, 0.006792 ) 0.29707629
WF centre and spread 2 ( -0.000002, 3.964552, 0.006804 ) 0.29652971
WF centre and spread 3 ( 0.000002, 3.964777, 0.006804 ) 0.29650243
WF centre and spread 4 ( -0.000000, 3.964664, 6.595541 ) 0.29707628
WF centre and spread 5 ( 0.000002, 3.964777, 6.595529 ) 0.29652970
WF centre and spread 6 ( -0.000002, 3.964551, 6.595529 ) 0.29650242
Sum of centres and spreads ( -0.000000, 23.787986, 19.807000 ) 1.78021683
920 -0.116E-07 0.0002073166 1.7802168329 0.28 <-- CONV
O_D= 0.0000000 O_OD= 0.0016450 O_TOT= 1.7802168 <-- SPRD
Delta: O_D= -0.3828552E-09 O_OD= -0.1124557E-07 O_TOT= -0.1162842E-07 <-- DLTA
------------------------------------------------------------------------------
Cycle: 930
WF centre and spread 1 ( 0.000000, 3.964664, 0.006792 ) 0.29707631
WF centre and spread 2 ( -0.000002, 3.964552, 0.006804 ) 0.29652971
WF centre and spread 3 ( 0.000002, 3.964777, 0.006804 ) 0.29650225
WF centre and spread 4 ( -0.000000, 3.964664, 6.595541 ) 0.29707630
WF centre and spread 5 ( 0.000002, 3.964777, 6.595529 ) 0.29652970
WF centre and spread 6 ( -0.000002, 3.964551, 6.595529 ) 0.29650224
Sum of centres and spreads ( -0.000000, 23.787986, 19.807000 ) 1.78021650
930 -0.273E-07 0.0005294121 1.7802165004 0.29 <-- CONV
O_D= 0.0000000 O_OD= 0.0016447 O_TOT= 1.7802165 <-- SPRD
Delta: O_D= 0.6107759E-10 O_OD= -0.2737929E-07 O_TOT= -0.2731821E-07 <-- DLTA
------------------------------------------------------------------------------
Cycle: 940
WF centre and spread 1 ( 0.000000, 3.964664, 0.006792 ) 0.29707632
WF centre and spread 2 ( -0.000002, 3.964552, 0.006804 ) 0.29652971
WF centre and spread 3 ( 0.000002, 3.964777, 0.006804 ) 0.29650208
WF centre and spread 4 ( -0.000000, 3.964664, 6.595541 ) 0.29707631
WF centre and spread 5 ( 0.000002, 3.964777, 6.595529 ) 0.29652970
WF centre and spread 6 ( -0.000002, 3.964551, 6.595529 ) 0.29650208
Sum of centres and spreads ( -0.000000, 23.787986, 19.807000 ) 1.78021621
940 -0.731E-08 0.0002056115 1.7802162062 0.29 <-- CONV
O_D= 0.0000000 O_OD= 0.0016444 O_TOT= 1.7802162 <-- SPRD
Delta: O_D= 0.1240775E-08 O_OD= -0.8551382E-08 O_TOT= -0.7310607E-08 <-- DLTA
------------------------------------------------------------------------------
Cycle: 950
WF centre and spread 1 ( 0.000000, 3.964664, 0.006792 ) 0.29707635
WF centre and spread 2 ( -0.000002, 3.964552, 0.006804 ) 0.29652971
WF centre and spread 3 ( 0.000002, 3.964777, 0.006804 ) 0.29650183
WF centre and spread 4 ( -0.000000, 3.964664, 6.595541 ) 0.29707634
WF centre and spread 5 ( 0.000002, 3.964777, 6.595529 ) 0.29652970
WF centre and spread 6 ( -0.000002, 3.964551, 6.595529 ) 0.29650182
Sum of centres and spreads ( -0.000000, 23.787986, 19.807000 ) 1.78021575
950 -0.903E-07 0.0009859071 1.7802157520 0.29 <-- CONV
O_D= 0.0000000 O_OD= 0.0016439 O_TOT= 1.7802158 <-- SPRD
Delta: O_D= 0.1844547E-10 O_OD= -0.9034326E-07 O_TOT= -0.9032482E-07 <-- DLTA
------------------------------------------------------------------------------
Cycle: 960
WF centre and spread 1 ( 0.000000, 3.964664, 0.006792 ) 0.29707636
WF centre and spread 2 ( -0.000002, 3.964552, 0.006804 ) 0.29652971
WF centre and spread 3 ( 0.000002, 3.964777, 0.006804 ) 0.29650167
WF centre and spread 4 ( -0.000000, 3.964664, 6.595541 ) 0.29707635
WF centre and spread 5 ( 0.000002, 3.964777, 6.595529 ) 0.29652970
WF centre and spread 6 ( -0.000002, 3.964551, 6.595529 ) 0.29650167
Sum of centres and spreads ( -0.000000, 23.787986, 19.807000 ) 1.78021546
960 -0.112E-07 0.0002036451 1.7802154635 0.29 <-- CONV
O_D= 0.0000000 O_OD= 0.0016436 O_TOT= 1.7802155 <-- SPRD
Delta: O_D= -0.3692682E-09 O_OD= -0.1085120E-07 O_TOT= -0.1122047E-07 <-- DLTA
------------------------------------------------------------------------------
Cycle: 970
WF centre and spread 1 ( 0.000000, 3.964664, 0.006792 ) 0.29707638
WF centre and spread 2 ( -0.000002, 3.964552, 0.006804 ) 0.29652971
WF centre and spread 3 ( 0.000002, 3.964777, 0.006804 ) 0.29650150
WF centre and spread 4 ( -0.000000, 3.964664, 6.595541 ) 0.29707637
WF centre and spread 5 ( 0.000002, 3.964777, 6.595529 ) 0.29652970
WF centre and spread 6 ( -0.000002, 3.964551, 6.595529 ) 0.29650149
Sum of centres and spreads ( -0.000000, 23.787986, 19.807000 ) 1.78021514
970 -0.264E-07 0.0005200148 1.7802151427 0.30 <-- CONV
O_D= 0.0000000 O_OD= 0.0016433 O_TOT= 1.7802151 <-- SPRD
Delta: O_D= 0.5905694E-10 O_OD= -0.2641880E-07 O_TOT= -0.2635975E-07 <-- DLTA
------------------------------------------------------------------------------
Cycle: 980
WF centre and spread 1 ( 0.000000, 3.964664, 0.006792 ) 0.29707640
WF centre and spread 2 ( -0.000002, 3.964552, 0.006804 ) 0.29652971
WF centre and spread 3 ( 0.000002, 3.964777, 0.006804 ) 0.29650134
WF centre and spread 4 ( -0.000000, 3.964664, 6.595541 ) 0.29707639
WF centre and spread 5 ( 0.000002, 3.964777, 6.595529 ) 0.29652970
WF centre and spread 6 ( -0.000002, 3.964551, 6.595529 ) 0.29650133
Sum of centres and spreads ( -0.000000, 23.787986, 19.807000 ) 1.78021486
980 -0.705E-08 0.0002019649 1.7802148589 0.30 <-- CONV
O_D= 0.0000000 O_OD= 0.0016430 O_TOT= 1.7802149 <-- SPRD
Delta: O_D= 0.1197585E-08 O_OD= -0.8251857E-08 O_TOT= -0.7054272E-08 <-- DLTA
------------------------------------------------------------------------------
Cycle: 990
WF centre and spread 1 ( 0.000000, 3.964664, 0.006792 ) 0.29707642
WF centre and spread 2 ( -0.000002, 3.964552, 0.006804 ) 0.29652971
WF centre and spread 3 ( 0.000002, 3.964777, 0.006804 ) 0.29650110
WF centre and spread 4 ( -0.000000, 3.964664, 6.595541 ) 0.29707641
WF centre and spread 5 ( 0.000002, 3.964777, 6.595529 ) 0.29652970
WF centre and spread 6 ( -0.000002, 3.964551, 6.595529 ) 0.29650109
Sum of centres and spreads ( -0.000000, 23.787986, 19.807000 ) 1.78021442
990 -0.871E-07 0.0009683895 1.7802144206 0.30 <-- CONV
O_D= 0.0000000 O_OD= 0.0016426 O_TOT= 1.7802144 <-- SPRD
Delta: O_D= 0.1834097E-10 O_OD= -0.8716830E-07 O_TOT= -0.8714996E-07 <-- DLTA
------------------------------------------------------------------------------
Cycle: 1000
WF centre and spread 1 ( 0.000000, 3.964664, 0.006792 ) 0.29707644
WF centre and spread 2 ( -0.000002, 3.964552, 0.006804 ) 0.29652971
WF centre and spread 3 ( 0.000002, 3.964777, 0.006804 ) 0.29650094
WF centre and spread 4 ( -0.000000, 3.964664, 6.595541 ) 0.29707643
WF centre and spread 5 ( 0.000002, 3.964777, 6.595529 ) 0.29652970
WF centre and spread 6 ( -0.000002, 3.964551, 6.595529 ) 0.29650093
Sum of centres and spreads ( -0.000000, 23.787986, 19.807000 ) 1.78021414
1000 -0.108E-07 0.0002000305 1.7802141422 0.31 <-- CONV
O_D= 0.0000000 O_OD= 0.0016423 O_TOT= 1.7802141 <-- SPRD
Delta: O_D= -0.3561556E-09 O_OD= -0.1046960E-07 O_TOT= -0.1082576E-07 <-- DLTA
------------------------------------------------------------------------------
Writing checkpoint file wann.chk... done
Final State
WF centre and spread 1 ( 0.000000, 3.964664, 0.006792 ) 0.29707644
WF centre and spread 2 ( -0.000002, 3.964552, 0.006804 ) 0.29652971
WF centre and spread 3 ( 0.000002, 3.964777, 0.006804 ) 0.29650094
WF centre and spread 4 ( -0.000000, 3.964664, 6.595541 ) 0.29707643
WF centre and spread 5 ( 0.000002, 3.964777, 6.595529 ) 0.29652970
WF centre and spread 6 ( -0.000002, 3.964551, 6.595529 ) 0.29650093
Sum of centres and spreads ( -0.000000, 23.787986, 19.807000 ) 1.78021414
Spreads (Ang^2) Omega I = 1.778571814
================ Omega D = 0.000000000
Omega OD = 0.001642328
Final Spread (Ang^2) Omega Total = 1.780214142
------------------------------------------------------------------------------
Wannier centres written to file wann_centres.xyz
Time for wannierise 0.306 (sec)
Writing checkpoint file wann.chk... done
*---------------------------------------------------------------------------*
| PLOTTING |
*---------------------------------------------------------------------------*
Calculating interpolated band-structure
Time to calculate interpolated band structure 0.022 (sec)
Time for plotting 0.024 (sec)
Total Execution Time 0.343 (sec)
*===========================================================================*
| TIMING INFORMATION |
*===========================================================================*
| Tag Ncalls Time (s)|
|---------------------------------------------------------------------------|
|kmesh: get : 1 0.007|
|overlap: allocate : 1 0.000|
|overlap: read : 1 0.002|
|wann: main : 1 0.306|
|plot: main : 1 0.024|
*---------------------------------------------------------------------------*
All done: wannier90 exiting
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