From 1e791bd294d33e3df64daaaeb559138524b62da3 Mon Sep 17 00:00:00 2001 From: "Valerio Vitale (PDRA" Date: Mon, 8 Oct 2018 18:31:32 +0100 Subject: [PATCH 1/6] New benchmark for testw90_example26 which takes in consideration the changes from PR #206. Moreover, the userconfig file, jobcongif file and parse_wout.py file have been modified to check the value if Omega IOD_C, Omega Rest, Penalty func and Omega Total_C --- src/wannierise.F90 | 10 +- test-suite/tests/jobconfig | 2 +- .../benchmark.out.default.inp=gaas.win | 426 +++++++++--------- test-suite/tests/userconfig | 19 + test-suite/tools/parsers/parse_wout.py | 25 + 5 files changed, 262 insertions(+), 220 deletions(-) diff --git a/src/wannierise.F90 b/src/wannierise.F90 index 4a02ec2dc..49b783538 100644 --- a/src/wannierise.F90 +++ b/src/wannierise.F90 @@ -1683,9 +1683,8 @@ subroutine wann_omega(csheet, sheet, rave, r2ave, rave2, wann_spread) !! Calculate the Wannier Function spread ! ! ! ! Modified by Valerio Vitale for the SLWF+C method (PRB 90, 165125)! - ! Jun 2018 - ! Based on a previous implementation by Charles T. Johnson - ! and original implementation by Radu Miron + ! Jun 2018, based on previous work by Charles T. Johnson and ! + ! Radu Miron at Implerial College London !=================================================================== use w90_parameters, only: num_wann, m_matrix, nntot, wb, bk, num_kpts, & omega_invariant, timing_level, & @@ -1958,9 +1957,8 @@ subroutine wann_domega(csheet, sheet, rave, cdodq) ! Calculate the Gradient of the Wannier Function spread ! ! ! ! Modified by Valerio Vitale for the SLWF+C method (PRB 90, 165125)! - ! Jun 2018 - ! Based on a previous implementation by Charles T. Johnson - ! and original implementation by Radu Miron + ! Jun 2018, based on previous work by Charles T. Johnson and ! + ! Radu Miron at Implerial College London !=================================================================== use w90_parameters, only: num_wann, wb, bk, nntot, m_matrix, num_kpts, & timing_level, selective_loc, & diff --git a/test-suite/tests/jobconfig b/test-suite/tests/jobconfig index c606c10f8..eaee05e1d 100644 --- a/test-suite/tests/jobconfig +++ b/test-suite/tests/jobconfig @@ -310,7 +310,7 @@ output = gaas-sc_xyz.dat # Test of selective localization and constrained centres [testw90_example26] -program = WANNIER90_WOUT_OK +program = WANNIER90_SLWFC_WOUT_OK inputs_args = ('gaas.win', '') output = gaas.wout diff --git a/test-suite/tests/testw90_example26/benchmark.out.default.inp=gaas.win b/test-suite/tests/testw90_example26/benchmark.out.default.inp=gaas.win index cf6b72e30..c70383c54 100644 --- a/test-suite/tests/testw90_example26/benchmark.out.default.inp=gaas.win +++ b/test-suite/tests/testw90_example26/benchmark.out.default.inp=gaas.win @@ -90,7 +90,7 @@ | 675 Mass Ave, Cambridge, MA 02139, USA. | | | +---------------------------------------------------+ - | Execution started on 30Sep2018 at 11:00:36 | + | Execution started on 8Oct2018 at 10:35:55 | +---------------------------------------------------+ ****************************************************************************** @@ -218,7 +218,7 @@ | 4 -0.277938 0.277938 0.277938 | +----------------------------------------------------------------------------+ - Time to get kmesh 0.040 (sec) + Time to get kmesh 0.044 (sec) *============================================================================* | MEMORY ESTIMATE | | Maximum RAM allocated during each phase of the calculation | @@ -234,7 +234,7 @@ Reading projections from gaas.amn : Created on 21Jun2018 at 13:28:41 - Time to read overlaps 0.008 (sec) + Time to read overlaps 0.012 (sec) Writing checkpoint file gaas.chk... done @@ -252,8 +252,8 @@ WF centre and spread 4 ( -0.857524, -0.857524, -0.857524 ) 1.80463311 Sum of centres and spreads ( -0.000000, -0.000000, 0.000000 ) 7.21853243 - 0 -0.317E+01 0.0000000000 -3.1653368719 0.00 <-- CONV - O_D= 0.0000000 O_IOD= -3.1653369 O_TOT= -3.1653369 <-- SPRD + 0 0.273E+01 0.0000000000 2.7299726937 0.00 <-- CONV + O_D= 0.0000000 O_IOD= 2.7299727 O_TOT= 2.7299727 <-- SPRD ------------------------------------------------------------------------------ Cycle: 1 WF centre and spread 1 ( -0.853260, 0.853260, 0.853260 ) 1.70201498 @@ -262,8 +262,8 @@ WF centre and spread 4 ( -0.862454, -0.857352, -0.857352 ) 1.84658331 Sum of centres and spreads ( -0.001010, 0.001010, 0.001010 ) 7.24176492 - 1 -0.884E-01 0.2093698260 -3.2536918930 0.00 <-- CONV - O_IOD= -3.2536919 O_D= 0.0000000 O_TOT= -3.2536919 <-- SPRD + 1 -0.884E-01 0.2093698260 2.6416176726 0.00 <-- CONV + O_IOD= 2.6416177 O_D= 0.0000000 O_TOT= 2.6416177 <-- SPRD Delta: O_IOD= -0.1245020E+00 O_D= 0.0000000E+00 O_TOT= -0.8835502E-01 <-- DLTA ------------------------------------------------------------------------------ Cycle: 2 @@ -273,8 +273,8 @@ Delta: O_IOD= -0.1245020E+00 O_D= 0.0000000E+00 O_TOT= -0.8835502E-01 <-- DLTA WF centre and spread 4 ( -0.873612, -0.857940, -0.857940 ) 1.93405438 Sum of centres and spreads ( -0.003873, 0.003873, 0.003873 ) 7.41230271 - 2 -0.678E-01 0.1671857056 -3.3215113266 0.01 <-- CONV - O_IOD= -3.3215113 O_D= 0.0000000 O_TOT= -3.3215113 <-- SPRD + 2 -0.678E-01 0.1671857056 2.5737982390 0.01 <-- CONV + O_IOD= 2.5737982 O_D= 0.0000000 O_TOT= 2.5737982 <-- SPRD Delta: O_IOD= -0.1281685E+00 O_D= 0.0000000E+00 O_TOT= -0.6781943E-01 <-- DLTA ------------------------------------------------------------------------------ Cycle: 3 @@ -284,8 +284,8 @@ Delta: O_IOD= -0.1281685E+00 O_D= 0.0000000E+00 O_TOT= -0.6781943E-01 <-- DLTA WF centre and spread 4 ( -0.904991, -0.875971, -0.875971 ) 2.19145859 Sum of centres and spreads ( -0.010656, 0.010656, 0.010656 ) 8.10024800 - 3 -0.123E+00 0.2328062477 -3.4443762364 0.01 <-- CONV - O_IOD= -3.4443762 O_D= 0.0000000 O_TOT= -3.4443762 <-- SPRD + 3 -0.123E+00 0.2328062477 2.4509333292 0.01 <-- CONV + O_IOD= 2.4509333 O_D= 0.0000000 O_TOT= 2.4509333 <-- SPRD Delta: O_IOD= -0.2566031E-01 O_D= 0.0000000E+00 O_TOT= -0.1228649E+00 <-- DLTA ------------------------------------------------------------------------------ Cycle: 4 @@ -295,8 +295,8 @@ Delta: O_IOD= -0.2566031E-01 O_D= 0.0000000E+00 O_TOT= -0.1228649E+00 <-- DLTA WF centre and spread 4 ( -0.960377, -0.981515, -0.981515 ) 2.57718759 Sum of centres and spreads ( -0.014646, 0.014646, 0.014646 ) 9.56008072 - 4 -0.153E+00 0.2801589721 -3.5972851690 0.01 <-- CONV - O_IOD= -3.5972852 O_D= 0.0000000 O_TOT= -3.5972852 <-- SPRD + 4 -0.153E+00 0.2801589721 2.2980243966 0.02 <-- CONV + O_IOD= 2.2980244 O_D= 0.0000000 O_TOT= 2.2980244 <-- SPRD Delta: O_IOD= 0.1200872E+01 O_D= 0.0000000E+00 O_TOT= -0.1529089E+00 <-- DLTA ------------------------------------------------------------------------------ Cycle: 5 @@ -306,8 +306,8 @@ Delta: O_IOD= 0.1200872E+01 O_D= 0.0000000E+00 O_TOT= -0.1529089E+00 <-- DLTA WF centre and spread 4 ( -0.963799, -0.992342, -0.992342 ) 2.54839612 Sum of centres and spreads ( -0.017032, 0.017032, 0.017032 ) 9.32644621 - 5 -0.195E+00 0.5498266615 -3.7922087466 0.01 <-- CONV - O_IOD= -3.7922087 O_D= 0.0000000 O_TOT= -3.7922087 <-- SPRD + 5 -0.195E+00 0.5498266615 2.1031008190 0.02 <-- CONV + O_IOD= 2.1031008 O_D= 0.0000000 O_TOT= 2.1031008 <-- SPRD Delta: O_IOD= -0.2013825E-01 O_D= 0.0000000E+00 O_TOT= -0.1949236E+00 <-- DLTA ------------------------------------------------------------------------------ Cycle: 6 @@ -317,8 +317,8 @@ Delta: O_IOD= -0.2013825E-01 O_D= 0.0000000E+00 O_TOT= -0.1949236E+00 <-- DLTA WF centre and spread 4 ( -0.975165, -1.020977, -1.020977 ) 2.49639070 Sum of centres and spreads ( -0.025265, 0.025265, 0.025265 ) 9.09332163 - 6 -0.190E+00 0.3356017036 -3.9823282866 0.02 <-- CONV - O_IOD= -3.9823283 O_D= 0.0000000 O_TOT= -3.9823283 <-- SPRD + 6 -0.190E+00 0.3356017036 1.9129812790 0.02 <-- CONV + O_IOD= 1.9129813 O_D= 0.0000000 O_TOT= 1.9129813 <-- SPRD Delta: O_IOD= 0.2688227E+00 O_D= 0.0000000E+00 O_TOT= -0.1901195E+00 <-- DLTA ------------------------------------------------------------------------------ Cycle: 7 @@ -328,8 +328,8 @@ Delta: O_IOD= 0.2688227E+00 O_D= 0.0000000E+00 O_TOT= -0.1901195E+00 <-- DLTA WF centre and spread 4 ( -0.984768, -1.038775, -1.038775 ) 2.50000837 Sum of centres and spreads ( -0.030959, 0.030959, 0.030959 ) 9.06803923 - 7 -0.941E-01 0.2980315124 -4.0764517907 0.02 <-- CONV - O_IOD= -4.0764518 O_D= 0.0000000 O_TOT= -4.0764518 <-- SPRD + 7 -0.941E-01 0.2980315124 1.8188577748 0.03 <-- CONV + O_IOD= 1.8188578 O_D= 0.0000000 O_TOT= 1.8188578 <-- SPRD Delta: O_IOD= 0.1744998E+00 O_D= 0.0000000E+00 O_TOT= -0.9412350E-01 <-- DLTA ------------------------------------------------------------------------------ Cycle: 8 @@ -339,8 +339,8 @@ Delta: O_IOD= 0.1744998E+00 O_D= 0.0000000E+00 O_TOT= -0.9412350E-01 <-- DLTA WF centre and spread 4 ( -0.994405, -1.059085, -1.059085 ) 2.53164875 Sum of centres and spreads ( -0.031791, 0.031791, 0.031791 ) 9.17406752 - 8 -0.411E-01 0.1520753890 -4.1175052727 0.02 <-- CONV - O_IOD= -4.1175053 O_D= 0.0000000 O_TOT= -4.1175053 <-- SPRD + 8 -0.411E-01 0.1520753890 1.7778042929 0.03 <-- CONV + O_IOD= 1.7778043 O_D= 0.0000000 O_TOT= 1.7778043 <-- SPRD Delta: O_IOD= 0.2286508E+00 O_D= 0.0000000E+00 O_TOT= -0.4105348E-01 <-- DLTA ------------------------------------------------------------------------------ Cycle: 9 @@ -350,8 +350,8 @@ Delta: O_IOD= 0.2286508E+00 O_D= 0.0000000E+00 O_TOT= -0.4105348E-01 <-- DLTA WF centre and spread 4 ( -1.043767, -1.175111, -1.175111 ) 2.69232536 Sum of centres and spreads ( -0.017984, 0.017984, 0.017984 ) 9.74419007 - 9 -0.871E-01 0.1060210897 -4.2046181682 0.02 <-- CONV - O_IOD= -4.2046182 O_D= 0.0000000 O_TOT= -4.2046182 <-- SPRD + 9 -0.871E-01 0.1060210897 1.6906913973 0.03 <-- CONV + O_IOD= 1.6906914 O_D= 0.0000000 O_TOT= 1.6906914 <-- SPRD Delta: O_IOD= 0.1344586E+01 O_D= 0.0000000E+00 O_TOT= -0.8711290E-01 <-- DLTA ------------------------------------------------------------------------------ Cycle: 10 @@ -361,8 +361,8 @@ Delta: O_IOD= 0.1344586E+01 O_D= 0.0000000E+00 O_TOT= -0.8711290E-01 <-- DLTA WF centre and spread 4 ( -1.044371, -1.176695, -1.176695 ) 2.69011513 Sum of centres and spreads ( -0.017719, 0.017719, 0.017719 ) 9.70829766 - 10 -0.305E-01 0.2234038701 -4.2350835476 0.03 <-- CONV - O_IOD= -4.2350835 O_D= 0.0000000 O_TOT= -4.2350835 <-- SPRD + 10 -0.305E-01 0.2234038701 1.6602260180 0.04 <-- CONV + O_IOD= 1.6602260 O_D= 0.0000000 O_TOT= 1.6602260 <-- SPRD Delta: O_IOD= -0.1098783E-01 O_D= 0.0000000E+00 O_TOT= -0.3046538E-01 <-- DLTA ------------------------------------------------------------------------------ Cycle: 11 @@ -372,8 +372,8 @@ Delta: O_IOD= -0.1098783E-01 O_D= 0.0000000E+00 O_TOT= -0.3046538E-01 <-- DLTA WF centre and spread 4 ( -1.045559, -1.179760, -1.179760 ) 2.69229989 Sum of centres and spreads ( -0.017213, 0.017213, 0.017213 ) 9.70809356 - 11 -0.899E-02 0.0978846889 -4.2440766832 0.03 <-- CONV - O_IOD= -4.2440767 O_D= 0.0000000 O_TOT= -4.2440767 <-- SPRD + 11 -0.899E-02 0.0978846889 1.6512328823 0.04 <-- CONV + O_IOD= 1.6512329 O_D= 0.0000000 O_TOT= 1.6512329 <-- SPRD Delta: O_IOD= 0.2861978E-01 O_D= 0.0000000E+00 O_TOT= -0.8993136E-02 <-- DLTA ------------------------------------------------------------------------------ Cycle: 12 @@ -383,8 +383,8 @@ Delta: O_IOD= 0.2861978E-01 O_D= 0.0000000E+00 O_TOT= -0.8993136E-02 <-- DLTA WF centre and spread 4 ( -1.047461, -1.184466, -1.184466 ) 2.69769629 Sum of centres and spreads ( -0.016358, 0.016358, 0.016358 ) 9.72291432 - 12 -0.450E-02 0.0612392753 -4.2485755759 0.03 <-- CONV - O_IOD= -4.2485756 O_D= 0.0000000 O_TOT= -4.2485756 <-- SPRD + 12 -0.450E-02 0.0612392753 1.6467339897 0.04 <-- CONV + O_IOD= 1.6467340 O_D= 0.0000000 O_TOT= 1.6467340 <-- SPRD Delta: O_IOD= 0.5191597E-01 O_D= 0.0000000E+00 O_TOT= -0.4498893E-02 <-- DLTA ------------------------------------------------------------------------------ Cycle: 13 @@ -394,8 +394,8 @@ Delta: O_IOD= 0.5191597E-01 O_D= 0.0000000E+00 O_TOT= -0.4498893E-02 <-- DLTA WF centre and spread 4 ( -1.050676, -1.191958, -1.191958 ) 2.70585700 Sum of centres and spreads ( -0.015009, 0.015009, 0.015009 ) 9.74900500 - 13 -0.276E-02 0.0382407472 -4.2513351190 0.03 <-- CONV - O_IOD= -4.2513351 O_D= 0.0000000 O_TOT= -4.2513351 <-- SPRD + 13 -0.276E-02 0.0382407472 1.6439744466 0.05 <-- CONV + O_IOD= 1.6439744 O_D= 0.0000000 O_TOT= 1.6439744 <-- SPRD Delta: O_IOD= 0.8557839E-01 O_D= 0.0000000E+00 O_TOT= -0.2759543E-02 <-- DLTA ------------------------------------------------------------------------------ Cycle: 14 @@ -405,8 +405,8 @@ Delta: O_IOD= 0.8557839E-01 O_D= 0.0000000E+00 O_TOT= -0.2759543E-02 <-- DLTA WF centre and spread 4 ( -1.053527, -1.198371, -1.198371 ) 2.71257938 Sum of centres and spreads ( -0.013937, 0.013937, 0.013937 ) 9.77057601 - 14 -0.181E-02 0.0498463302 -4.2531471085 0.04 <-- CONV - O_IOD= -4.2531471 O_D= 0.0000000 O_TOT= -4.2531471 <-- SPRD + 14 -0.181E-02 0.0498463302 1.6421624571 0.05 <-- CONV + O_IOD= 1.6421625 O_D= 0.0000000 O_TOT= 1.6421625 <-- SPRD Delta: O_IOD= 0.7366148E-01 O_D= 0.0000000E+00 O_TOT= -0.1811989E-02 <-- DLTA ------------------------------------------------------------------------------ Cycle: 15 @@ -416,8 +416,8 @@ Delta: O_IOD= 0.7366148E-01 O_D= 0.0000000E+00 O_TOT= -0.1811989E-02 <-- DLTA WF centre and spread 4 ( -1.060562, -1.213422, -1.213422 ) 2.72681810 Sum of centres and spreads ( -0.011624, 0.011624, 0.011624 ) 9.81565431 - 15 -0.329E-02 0.0410669648 -4.2564352690 0.04 <-- CONV - O_IOD= -4.2564353 O_D= 0.0000000 O_TOT= -4.2564353 <-- SPRD + 15 -0.329E-02 0.0410669648 1.6388742965 0.05 <-- CONV + O_IOD= 1.6388743 O_D= 0.0000000 O_TOT= 1.6388743 <-- SPRD Delta: O_IOD= 0.1726574E+00 O_D= 0.0000000E+00 O_TOT= -0.3288161E-02 <-- DLTA ------------------------------------------------------------------------------ Cycle: 16 @@ -427,8 +427,8 @@ Delta: O_IOD= 0.1726574E+00 O_D= 0.0000000E+00 O_TOT= -0.3288161E-02 <-- DLTA WF centre and spread 4 ( -1.061287, -1.214664, -1.214664 ) 2.72726326 Sum of centres and spreads ( -0.011536, 0.011536, 0.011536 ) 9.81566081 - 16 -0.167E-02 0.0378217072 -4.2581064770 0.04 <-- CONV - O_IOD= -4.2581065 O_D= 0.0000000 O_TOT= -4.2581065 <-- SPRD + 16 -0.167E-02 0.0378217072 1.6372030885 0.06 <-- CONV + O_IOD= 1.6372031 O_D= 0.0000000 O_TOT= 1.6372031 <-- SPRD Delta: O_IOD= 0.1248324E-01 O_D= 0.0000000E+00 O_TOT= -0.1671208E-02 <-- DLTA ------------------------------------------------------------------------------ Cycle: 17 @@ -438,8 +438,8 @@ Delta: O_IOD= 0.1248324E-01 O_D= 0.0000000E+00 O_TOT= -0.1671208E-02 <-- DLTA WF centre and spread 4 ( -1.062178, -1.216234, -1.216234 ) 2.72830898 Sum of centres and spreads ( -0.011363, 0.011363, 0.011363 ) 9.81851785 - 17 -0.682E-03 0.0257563530 -4.2587889029 0.04 <-- CONV - O_IOD= -4.2587889 O_D= 0.0000000 O_TOT= -4.2587889 <-- SPRD + 17 -0.682E-03 0.0257563530 1.6365206626 0.06 <-- CONV + O_IOD= 1.6365207 O_D= 0.0000000 O_TOT= 1.6365207 <-- SPRD Delta: O_IOD= 0.1692091E-01 O_D= 0.0000000E+00 O_TOT= -0.6824259E-03 <-- DLTA ------------------------------------------------------------------------------ Cycle: 18 @@ -449,8 +449,8 @@ Delta: O_IOD= 0.1692091E-01 O_D= 0.0000000E+00 O_TOT= -0.6824259E-03 <-- DLTA WF centre and spread 4 ( -1.063227, -1.218126, -1.218126 ) 2.72976295 Sum of centres and spreads ( -0.011109, 0.011109, 0.011109 ) 9.82282791 - 18 -0.499E-03 0.0256925310 -4.2592876331 0.05 <-- CONV - O_IOD= -4.2592876 O_D= 0.0000000 O_TOT= -4.2592876 <-- SPRD + 18 -0.499E-03 0.0256925310 1.6360219325 0.06 <-- CONV + O_IOD= 1.6360219 O_D= 0.0000000 O_TOT= 1.6360219 <-- SPRD Delta: O_IOD= 0.2054256E-01 O_D= 0.0000000E+00 O_TOT= -0.4987302E-03 <-- DLTA ------------------------------------------------------------------------------ Cycle: 19 @@ -460,8 +460,8 @@ Delta: O_IOD= 0.2054256E-01 O_D= 0.0000000E+00 O_TOT= -0.4987302E-03 <-- DLTA WF centre and spread 4 ( -1.064879, -1.221245, -1.221245 ) 2.73236549 Sum of centres and spreads ( -0.010604, 0.010604, 0.010604 ) 9.83086968 - 19 -0.420E-03 0.0159619925 -4.2597077945 0.05 <-- CONV - O_IOD= -4.2597078 O_D= 0.0000000 O_TOT= -4.2597078 <-- SPRD + 19 -0.420E-03 0.0159619925 1.6356017711 0.07 <-- CONV + O_IOD= 1.6356018 O_D= 0.0000000 O_TOT= 1.6356018 <-- SPRD Delta: O_IOD= 0.3416644E-01 O_D= 0.0000000E+00 O_TOT= -0.4201614E-03 <-- DLTA ------------------------------------------------------------------------------ Cycle: 20 @@ -471,8 +471,8 @@ Delta: O_IOD= 0.3416644E-01 O_D= 0.0000000E+00 O_TOT= -0.4201614E-03 <-- DLTA WF centre and spread 4 ( -1.067014, -1.225363, -1.225363 ) 2.73590591 Sum of centres and spreads ( -0.009909, 0.009909, 0.009909 ) 9.84177544 - 20 -0.429E-03 0.0191516438 -4.2601363940 0.05 <-- CONV - O_IOD= -4.2601364 O_D= 0.0000000 O_TOT= -4.2601364 <-- SPRD + 20 -0.429E-03 0.0191516438 1.6351731715 0.07 <-- CONV + O_IOD= 1.6351732 O_D= 0.0000000 O_TOT= 1.6351732 <-- SPRD Delta: O_IOD= 0.4539868E-01 O_D= 0.0000000E+00 O_TOT= -0.4285996E-03 <-- DLTA ------------------------------------------------------------------------------ Cycle: 21 @@ -482,8 +482,8 @@ Delta: O_IOD= 0.4539868E-01 O_D= 0.0000000E+00 O_TOT= -0.4285996E-03 <-- DLTA WF centre and spread 4 ( -1.069967, -1.231245, -1.231245 ) 2.74094291 Sum of centres and spreads ( -0.008936, 0.008936, 0.008936 ) 9.85712447 - 21 -0.485E-03 0.0158734032 -4.2606209284 0.05 <-- CONV - O_IOD= -4.2606209 O_D= 0.0000000 O_TOT= -4.2606209 <-- SPRD + 21 -0.485E-03 0.0158734032 1.6346886372 0.07 <-- CONV + O_IOD= 1.6346886 O_D= 0.0000000 O_TOT= 1.6346886 <-- SPRD Delta: O_IOD= 0.6596622E-01 O_D= 0.0000000E+00 O_TOT= -0.4845343E-03 <-- DLTA ------------------------------------------------------------------------------ Cycle: 22 @@ -493,8 +493,8 @@ Delta: O_IOD= 0.6596622E-01 O_D= 0.0000000E+00 O_TOT= -0.4845343E-03 <-- DLTA WF centre and spread 4 ( -1.070084, -1.231570, -1.231570 ) 2.74117796 Sum of centres and spreads ( -0.008905, 0.008905, 0.008905 ) 9.85762303 - 22 -0.240E-03 0.0168737302 -4.2608611798 0.06 <-- CONV - O_IOD= -4.2608612 O_D= 0.0000000 O_TOT= -4.2608612 <-- SPRD + 22 -0.240E-03 0.0168737302 1.6344483857 0.08 <-- CONV + O_IOD= 1.6344484 O_D= 0.0000000 O_TOT= 1.6344484 <-- SPRD Delta: O_IOD= 0.4010710E-02 O_D= 0.0000000E+00 O_TOT= -0.2402514E-03 <-- DLTA ------------------------------------------------------------------------------ Cycle: 23 @@ -504,8 +504,8 @@ Delta: O_IOD= 0.4010710E-02 O_D= 0.0000000E+00 O_TOT= -0.2402514E-03 <-- DLTA WF centre and spread 4 ( -1.070329, -1.232200, -1.232200 ) 2.74169775 Sum of centres and spreads ( -0.008831, 0.008831, 0.008831 ) 9.85913589 - 23 -0.106E-03 0.0089114494 -4.2609669082 0.06 <-- CONV - O_IOD= -4.2609669 O_D= 0.0000000 O_TOT= -4.2609669 <-- SPRD + 23 -0.106E-03 0.0089114494 1.6343426574 0.08 <-- CONV + O_IOD= 1.6343427 O_D= 0.0000000 O_TOT= 1.6343427 <-- SPRD Delta: O_IOD= 0.7884370E-02 O_D= 0.0000000E+00 O_TOT= -0.1057284E-03 <-- DLTA ------------------------------------------------------------------------------ Cycle: 24 @@ -515,8 +515,8 @@ Delta: O_IOD= 0.7884370E-02 O_D= 0.0000000E+00 O_TOT= -0.1057284E-03 <-- DLTA WF centre and spread 4 ( -1.070588, -1.232821, -1.232821 ) 2.74221633 Sum of centres and spreads ( -0.008747, 0.008747, 0.008747 ) 9.86068690 - 24 -0.563E-04 0.0080644935 -4.2610231587 0.06 <-- CONV - O_IOD= -4.2610232 O_D= 0.0000000 O_TOT= -4.2610232 <-- SPRD + 24 -0.563E-04 0.0080644935 1.6342864069 0.08 <-- CONV + O_IOD= 1.6342864 O_D= 0.0000000 O_TOT= 1.6342864 <-- SPRD Delta: O_IOD= 0.7564354E-02 O_D= 0.0000000E+00 O_TOT= -0.5625050E-04 <-- DLTA ------------------------------------------------------------------------------ Cycle: 25 @@ -526,8 +526,8 @@ Delta: O_IOD= 0.7564354E-02 O_D= 0.0000000E+00 O_TOT= -0.5625050E-04 <-- DLTA WF centre and spread 4 ( -1.070958, -1.233643, -1.233643 ) 2.74289264 Sum of centres and spreads ( -0.008620, 0.008620, 0.008620 ) 9.86273307 - 25 -0.414E-04 0.0058076222 -4.2610645515 0.06 <-- CONV - O_IOD= -4.2610646 O_D= 0.0000000 O_TOT= -4.2610646 <-- SPRD + 25 -0.414E-04 0.0058076222 1.6342450141 0.09 <-- CONV + O_IOD= 1.6342450 O_D= 0.0000000 O_TOT= 1.6342450 <-- SPRD Delta: O_IOD= 0.9670158E-02 O_D= 0.0000000E+00 O_TOT= -0.4139280E-04 <-- DLTA ------------------------------------------------------------------------------ Cycle: 26 @@ -537,8 +537,8 @@ Delta: O_IOD= 0.9670158E-02 O_D= 0.0000000E+00 O_TOT= -0.4139280E-04 <-- DLTA WF centre and spread 4 ( -1.071370, -1.234513, -1.234513 ) 2.74360627 Sum of centres and spreads ( -0.008479, 0.008479, 0.008479 ) 9.86489302 - 26 -0.334E-04 0.0064161021 -4.2610979715 0.07 <-- CONV - O_IOD= -4.2610980 O_D= 0.0000000 O_TOT= -4.2610980 <-- SPRD + 26 -0.334E-04 0.0064161021 1.6342115941 0.09 <-- CONV + O_IOD= 1.6342116 O_D= 0.0000000 O_TOT= 1.6342116 <-- SPRD Delta: O_IOD= 0.1004336E-01 O_D= 0.0000000E+00 O_TOT= -0.3341997E-04 <-- DLTA ------------------------------------------------------------------------------ Cycle: 27 @@ -548,8 +548,8 @@ Delta: O_IOD= 0.1004336E-01 O_D= 0.0000000E+00 O_TOT= -0.3341997E-04 <-- DLTA WF centre and spread 4 ( -1.072098, -1.235956, -1.235956 ) 2.74477468 Sum of centres and spreads ( -0.008237, 0.008237, 0.008237 ) 9.86842568 - 27 -0.394E-04 0.0044672910 -4.2611373314 0.07 <-- CONV - O_IOD= -4.2611373 O_D= 0.0000000 O_TOT= -4.2611373 <-- SPRD + 27 -0.394E-04 0.0044672910 1.6341722341 0.09 <-- CONV + O_IOD= 1.6341722 O_D= 0.0000000 O_TOT= 1.6341722 <-- SPRD Delta: O_IOD= 0.1620242E-01 O_D= 0.0000000E+00 O_TOT= -0.3935995E-04 <-- DLTA ------------------------------------------------------------------------------ Cycle: 28 @@ -559,8 +559,8 @@ Delta: O_IOD= 0.1620242E-01 O_D= 0.0000000E+00 O_TOT= -0.3935995E-04 <-- DLTA WF centre and spread 4 ( -1.072204, -1.236129, -1.236129 ) 2.74491092 Sum of centres and spreads ( -0.008210, 0.008210, 0.008210 ) 9.86881514 - 28 -0.253E-04 0.0046380201 -4.2611626037 0.07 <-- CONV - O_IOD= -4.2611626 O_D= 0.0000000 O_TOT= -4.2611626 <-- SPRD + 28 -0.253E-04 0.0046380201 1.6341469619 0.09 <-- CONV + O_IOD= 1.6341470 O_D= 0.0000000 O_TOT= 1.6341470 <-- SPRD Delta: O_IOD= 0.1767421E-02 O_D= 0.0000000E+00 O_TOT= -0.2527228E-04 <-- DLTA ------------------------------------------------------------------------------ Cycle: 29 @@ -570,8 +570,8 @@ Delta: O_IOD= 0.1767421E-02 O_D= 0.0000000E+00 O_TOT= -0.2527228E-04 <-- DLTA WF centre and spread 4 ( -1.072376, -1.236416, -1.236416 ) 2.74514166 Sum of centres and spreads ( -0.008160, 0.008160, 0.008160 ) 9.86950341 - 29 -0.134E-04 0.0031408320 -4.2611760489 0.07 <-- CONV - O_IOD= -4.2611760 O_D= 0.0000000 O_TOT= -4.2611760 <-- SPRD + 29 -0.134E-04 0.0031408320 1.6341335167 0.10 <-- CONV + O_IOD= 1.6341335 O_D= 0.0000000 O_TOT= 1.6341335 <-- SPRD Delta: O_IOD= 0.2987082E-02 O_D= 0.0000000E+00 O_TOT= -0.1344516E-04 <-- DLTA ------------------------------------------------------------------------------ Cycle: 30 @@ -581,8 +581,8 @@ Delta: O_IOD= 0.2987082E-02 O_D= 0.0000000E+00 O_TOT= -0.1344516E-04 <-- DLTA WF centre and spread 4 ( -1.072546, -1.236711, -1.236711 ) 2.74537828 Sum of centres and spreads ( -0.008108, 0.008108, 0.008108 ) 9.87021340 - 30 -0.889E-05 0.0034073736 -4.2611849341 0.08 <-- CONV - O_IOD= -4.2611849 O_D= 0.0000000 O_TOT= -4.2611849 <-- SPRD + 30 -0.889E-05 0.0034073736 1.6341246315 0.10 <-- CONV + O_IOD= 1.6341246 O_D= 0.0000000 O_TOT= 1.6341246 <-- SPRD Delta: O_IOD= 0.3095543E-02 O_D= 0.0000000E+00 O_TOT= -0.8885235E-05 <-- DLTA ------------------------------------------------------------------------------ Cycle: 31 @@ -592,8 +592,8 @@ Delta: O_IOD= 0.3095543E-02 O_D= 0.0000000E+00 O_TOT= -0.8885235E-05 <-- DLTA WF centre and spread 4 ( -1.072800, -1.237171, -1.237171 ) 2.74574618 Sum of centres and spreads ( -0.008027, 0.008027, 0.008027 ) 9.87132114 - 31 -0.869E-05 0.0025283435 -4.2611936221 0.08 <-- CONV - O_IOD= -4.2611936 O_D= 0.0000000 O_TOT= -4.2611936 <-- SPRD + 31 -0.869E-05 0.0025283435 1.6341159435 0.10 <-- CONV + O_IOD= 1.6341159 O_D= 0.0000000 O_TOT= 1.6341159 <-- SPRD Delta: O_IOD= 0.4955544E-02 O_D= 0.0000000E+00 O_TOT= -0.8687961E-05 <-- DLTA ------------------------------------------------------------------------------ Cycle: 32 @@ -603,8 +603,8 @@ Delta: O_IOD= 0.4955544E-02 O_D= 0.0000000E+00 O_TOT= -0.8687961E-05 <-- DLTA WF centre and spread 4 ( -1.073077, -1.237694, -1.237694 ) 2.74616274 Sum of centres and spreads ( -0.007937, 0.007937, 0.007937 ) 9.87257536 - 32 -0.767E-05 0.0026880866 -4.2612012938 0.08 <-- CONV - O_IOD= -4.2612013 O_D= 0.0000000 O_TOT= -4.2612013 <-- SPRD + 32 -0.767E-05 0.0026880866 1.6341082718 0.11 <-- CONV + O_IOD= 1.6341083 O_D= 0.0000000 O_TOT= 1.6341083 <-- SPRD Delta: O_IOD= 0.5749021E-02 O_D= 0.0000000E+00 O_TOT= -0.7671734E-05 <-- DLTA ------------------------------------------------------------------------------ Cycle: 33 @@ -614,8 +614,8 @@ Delta: O_IOD= 0.5749021E-02 O_D= 0.0000000E+00 O_TOT= -0.7671734E-05 <-- DLTA WF centre and spread 4 ( -1.073442, -1.238420, -1.238420 ) 2.74673767 Sum of centres and spreads ( -0.007819, 0.007819, 0.007819 ) 9.87430455 - 33 -0.823E-05 0.0021091311 -4.2612095257 0.08 <-- CONV - O_IOD= -4.2612095 O_D= 0.0000000 O_TOT= -4.2612095 <-- SPRD + 33 -0.823E-05 0.0021091311 1.6341000398 0.11 <-- CONV + O_IOD= 1.6341000 O_D= 0.0000000 O_TOT= 1.6341000 <-- SPRD Delta: O_IOD= 0.8215327E-02 O_D= 0.0000000E+00 O_TOT= -0.8231913E-05 <-- DLTA ------------------------------------------------------------------------------ Cycle: 34 @@ -625,8 +625,8 @@ Delta: O_IOD= 0.8215327E-02 O_D= 0.0000000E+00 O_TOT= -0.8231913E-05 <-- DLTA WF centre and spread 4 ( -1.073460, -1.238470, -1.238470 ) 2.74677753 Sum of centres and spreads ( -0.007814, 0.007814, 0.007814 ) 9.87442016 - 34 -0.473E-05 0.0023247768 -4.2612142517 0.08 <-- CONV - O_IOD= -4.2612143 O_D= 0.0000000 O_TOT= -4.2612143 <-- SPRD + 34 -0.473E-05 0.0023247768 1.6340953138 0.11 <-- CONV + O_IOD= 1.6340953 O_D= 0.0000000 O_TOT= 1.6340953 <-- SPRD Delta: O_IOD= 0.6424021E-03 O_D= 0.0000000E+00 O_TOT= -0.4726022E-05 <-- DLTA ------------------------------------------------------------------------------ Cycle: 35 @@ -636,8 +636,8 @@ Delta: O_IOD= 0.6424021E-03 O_D= 0.0000000E+00 O_TOT= -0.4726022E-05 <-- DLTA WF centre and spread 4 ( -1.073498, -1.238565, -1.238565 ) 2.74685295 Sum of centres and spreads ( -0.007803, 0.007803, 0.007803 ) 9.87464546 - 35 -0.223E-05 0.0013085926 -4.2612164836 0.09 <-- CONV - O_IOD= -4.2612165 O_D= 0.0000000 O_TOT= -4.2612165 <-- SPRD + 35 -0.223E-05 0.0013085926 1.6340930820 0.11 <-- CONV + O_IOD= 1.6340931 O_D= 0.0000000 O_TOT= 1.6340931 <-- SPRD Delta: O_IOD= 0.1184051E-02 O_D= 0.0000000E+00 O_TOT= -0.2231852E-05 <-- DLTA ------------------------------------------------------------------------------ Cycle: 36 @@ -647,8 +647,8 @@ Delta: O_IOD= 0.1184051E-02 O_D= 0.0000000E+00 O_TOT= -0.2231852E-05 <-- DLTA WF centre and spread 4 ( -1.073538, -1.238659, -1.238659 ) 2.74692820 Sum of centres and spreads ( -0.007790, 0.007790, 0.007790 ) 9.87487115 - 36 -0.122E-05 0.0011779533 -4.2612177016 0.09 <-- CONV - O_IOD= -4.2612177 O_D= 0.0000000 O_TOT= -4.2612177 <-- SPRD + 36 -0.122E-05 0.0011779533 1.6340918639 0.12 <-- CONV + O_IOD= 1.6340919 O_D= 0.0000000 O_TOT= 1.6340919 <-- SPRD Delta: O_IOD= 0.1149025E-02 O_D= 0.0000000E+00 O_TOT= -0.1218068E-05 <-- DLTA ------------------------------------------------------------------------------ Cycle: 37 @@ -658,8 +658,8 @@ Delta: O_IOD= 0.1149025E-02 O_D= 0.0000000E+00 O_TOT= -0.1218068E-05 <-- DLTA WF centre and spread 4 ( -1.073593, -1.238779, -1.238779 ) 2.74702401 Sum of centres and spreads ( -0.007772, 0.007772, 0.007772 ) 9.87515894 - 37 -0.890E-06 0.0008687017 -4.2612185912 0.09 <-- CONV - O_IOD= -4.2612186 O_D= 0.0000000 O_TOT= -4.2612186 <-- SPRD + 37 -0.890E-06 0.0008687017 1.6340909744 0.12 <-- CONV + O_IOD= 1.6340910 O_D= 0.0000000 O_TOT= 1.6340910 <-- SPRD Delta: O_IOD= 0.1413211E-02 O_D= 0.0000000E+00 O_TOT= -0.8895056E-06 <-- DLTA ------------------------------------------------------------------------------ Cycle: 38 @@ -669,8 +669,8 @@ Delta: O_IOD= 0.1413211E-02 O_D= 0.0000000E+00 O_TOT= -0.8895056E-06 <-- DLTA WF centre and spread 4 ( -1.073655, -1.238910, -1.238910 ) 2.74712814 Sum of centres and spreads ( -0.007750, 0.007750, 0.007750 ) 9.87547173 - 38 -0.736E-06 0.0009387090 -4.2612193270 0.09 <-- CONV - O_IOD= -4.2612193 O_D= 0.0000000 O_TOT= -4.2612193 <-- SPRD + 38 -0.736E-06 0.0009387090 1.6340902386 0.12 <-- CONV + O_IOD= 1.6340902 O_D= 0.0000000 O_TOT= 1.6340902 <-- SPRD Delta: O_IOD= 0.1502805E-02 O_D= 0.0000000E+00 O_TOT= -0.7358379E-06 <-- DLTA ------------------------------------------------------------------------------ Cycle: 39 @@ -680,8 +680,8 @@ Delta: O_IOD= 0.1502805E-02 O_D= 0.0000000E+00 O_TOT= -0.7358379E-06 <-- DLTA WF centre and spread 4 ( -1.073760, -1.239116, -1.239116 ) 2.74729283 Sum of centres and spreads ( -0.007715, 0.007715, 0.007715 ) 9.87596637 - 39 -0.827E-06 0.0006523276 -4.2612201536 0.10 <-- CONV - O_IOD= -4.2612202 O_D= 0.0000000 O_TOT= -4.2612202 <-- SPRD + 39 -0.827E-06 0.0006523276 1.6340894120 0.13 <-- CONV + O_IOD= 1.6340894 O_D= 0.0000000 O_TOT= 1.6340894 <-- SPRD Delta: O_IOD= 0.2306685E-02 O_D= 0.0000000E+00 O_TOT= -0.8265814E-06 <-- DLTA ------------------------------------------------------------------------------ Cycle: 40 @@ -691,8 +691,8 @@ Delta: O_IOD= 0.2306685E-02 O_D= 0.0000000E+00 O_TOT= -0.8265814E-06 <-- DLTA WF centre and spread 4 ( -1.073776, -1.239141, -1.239141 ) 2.74731319 Sum of centres and spreads ( -0.007711, 0.007711, 0.007711 ) 9.87602704 - 40 -0.545E-06 0.0006831915 -4.2612206981 0.10 <-- CONV - O_IOD= -4.2612207 O_D= 0.0000000 O_TOT= -4.2612207 <-- SPRD + 40 -0.545E-06 0.0006831915 1.6340888675 0.13 <-- CONV + O_IOD= 1.6340889 O_D= 0.0000000 O_TOT= 1.6340889 <-- SPRD Delta: O_IOD= 0.2589150E-03 O_D= 0.0000000E+00 O_TOT= -0.5445182E-06 <-- DLTA ------------------------------------------------------------------------------ Cycle: 41 @@ -702,8 +702,8 @@ Delta: O_IOD= 0.2589150E-03 O_D= 0.0000000E+00 O_TOT= -0.5445182E-06 <-- DLTA WF centre and spread 4 ( -1.073802, -1.239184, -1.239184 ) 2.74734774 Sum of centres and spreads ( -0.007704, 0.007704, 0.007704 ) 9.87613060 - 41 -0.299E-06 0.0004618901 -4.2612209966 0.10 <-- CONV - O_IOD= -4.2612210 O_D= 0.0000000 O_TOT= -4.2612210 <-- SPRD + 41 -0.299E-06 0.0004618901 1.6340885689 0.13 <-- CONV + O_IOD= 1.6340886 O_D= 0.0000000 O_TOT= 1.6340886 <-- SPRD Delta: O_IOD= 0.4503352E-03 O_D= 0.0000000E+00 O_TOT= -0.2985360E-06 <-- DLTA ------------------------------------------------------------------------------ Cycle: 42 @@ -713,8 +713,8 @@ Delta: O_IOD= 0.4503352E-03 O_D= 0.0000000E+00 O_TOT= -0.2985360E-06 <-- DLTA WF centre and spread 4 ( -1.073827, -1.239228, -1.239228 ) 2.74738222 Sum of centres and spreads ( -0.007696, 0.007696, 0.007696 ) 9.87623404 - 42 -0.194E-06 0.0005039629 -4.2612211907 0.10 <-- CONV - O_IOD= -4.2612212 O_D= 0.0000000 O_TOT= -4.2612212 <-- SPRD + 42 -0.194E-06 0.0005039629 1.6340883749 0.13 <-- CONV + O_IOD= 1.6340884 O_D= 0.0000000 O_TOT= 1.6340884 <-- SPRD Delta: O_IOD= 0.4583020E-03 O_D= 0.0000000E+00 O_TOT= -0.1940366E-06 <-- DLTA ------------------------------------------------------------------------------ Cycle: 43 @@ -724,8 +724,8 @@ Delta: O_IOD= 0.4583020E-03 O_D= 0.0000000E+00 O_TOT= -0.1940366E-06 <-- DLTA WF centre and spread 4 ( -1.073865, -1.239296, -1.239296 ) 2.74743565 Sum of centres and spreads ( -0.007684, 0.007684, 0.007684 ) 9.87639441 - 43 -0.190E-06 0.0003751976 -4.2612213804 0.10 <-- CONV - O_IOD= -4.2612214 O_D= 0.0000000 O_TOT= -4.2612214 <-- SPRD + 43 -0.190E-06 0.0003751976 1.6340881851 0.14 <-- CONV + O_IOD= 1.6340882 O_D= 0.0000000 O_TOT= 1.6340882 <-- SPRD Delta: O_IOD= 0.7317855E-03 O_D= 0.0000000E+00 O_TOT= -0.1897428E-06 <-- DLTA ------------------------------------------------------------------------------ Cycle: 44 @@ -735,8 +735,8 @@ Delta: O_IOD= 0.7317855E-03 O_D= 0.0000000E+00 O_TOT= -0.1897428E-06 <-- DLTA WF centre and spread 4 ( -1.073906, -1.239373, -1.239373 ) 2.74749630 Sum of centres and spreads ( -0.007671, 0.007671, 0.007671 ) 9.87657646 - 44 -0.168E-06 0.0003997502 -4.2612215486 0.11 <-- CONV - O_IOD= -4.2612215 O_D= 0.0000000 O_TOT= -4.2612215 <-- SPRD + 44 -0.168E-06 0.0003997502 1.6340880169 0.14 <-- CONV + O_IOD= 1.6340880 O_D= 0.0000000 O_TOT= 1.6340880 <-- SPRD Delta: O_IOD= 0.8502952E-03 O_D= 0.0000000E+00 O_TOT= -0.1682107E-06 <-- DLTA ------------------------------------------------------------------------------ Cycle: 45 @@ -746,8 +746,8 @@ Delta: O_IOD= 0.8502952E-03 O_D= 0.0000000E+00 O_TOT= -0.1682107E-06 <-- DLTA WF centre and spread 4 ( -1.073959, -1.239479, -1.239479 ) 2.74757955 Sum of centres and spreads ( -0.007654, 0.007654, 0.007654 ) 9.87682630 - 45 -0.178E-06 0.0003098052 -4.2612217263 0.11 <-- CONV - O_IOD= -4.2612217 O_D= 0.0000000 O_TOT= -4.2612217 <-- SPRD + 45 -0.178E-06 0.0003098052 1.6340878393 0.14 <-- CONV + O_IOD= 1.6340878 O_D= 0.0000000 O_TOT= 1.6340878 <-- SPRD Delta: O_IOD= 0.1200789E-02 O_D= 0.0000000E+00 O_TOT= -0.1776661E-06 <-- DLTA ------------------------------------------------------------------------------ Cycle: 46 @@ -757,8 +757,8 @@ Delta: O_IOD= 0.1200789E-02 O_D= 0.0000000E+00 O_TOT= -0.1776661E-06 <-- DLTA WF centre and spread 4 ( -1.073962, -1.239487, -1.239487 ) 2.74758572 Sum of centres and spreads ( -0.007653, 0.007653, 0.007653 ) 9.87684474 - 46 -0.103E-06 0.0003445510 -4.2612218296 0.11 <-- CONV - O_IOD= -4.2612218 O_D= 0.0000000 O_TOT= -4.2612218 <-- SPRD + 46 -0.103E-06 0.0003445510 1.6340877360 0.14 <-- CONV + O_IOD= 1.6340877 O_D= 0.0000000 O_TOT= 1.6340877 <-- SPRD Delta: O_IOD= 0.9528601E-04 O_D= 0.0000000E+00 O_TOT= -0.1032837E-06 <-- DLTA ------------------------------------------------------------------------------ Cycle: 47 @@ -768,8 +768,8 @@ Delta: O_IOD= 0.9528601E-04 O_D= 0.0000000E+00 O_TOT= -0.1032837E-06 <-- DLTA WF centre and spread 4 ( -1.073968, -1.239501, -1.239501 ) 2.74759734 Sum of centres and spreads ( -0.007651, 0.007651, 0.007651 ) 9.87687958 - 47 -0.493E-07 0.0001932426 -4.2612218789 0.11 <-- CONV - O_IOD= -4.2612219 O_D= 0.0000000 O_TOT= -4.2612219 <-- SPRD + 47 -0.493E-07 0.0001932426 1.6340876867 0.15 <-- CONV + O_IOD= 1.6340877 O_D= 0.0000000 O_TOT= 1.6340877 <-- SPRD Delta: O_IOD= 0.1777563E-03 O_D= 0.0000000E+00 O_TOT= -0.4930518E-07 <-- DLTA ------------------------------------------------------------------------------ Cycle: 48 @@ -779,8 +779,8 @@ Delta: O_IOD= 0.1777563E-03 O_D= 0.0000000E+00 O_TOT= -0.4930518E-07 <-- DLTA WF centre and spread 4 ( -1.073974, -1.239515, -1.239515 ) 2.74760873 Sum of centres and spreads ( -0.007649, 0.007649, 0.007649 ) 9.87691375 - 48 -0.270E-07 0.0001760238 -4.2612219058 0.12 <-- CONV - O_IOD= -4.2612219 O_D= 0.0000000 O_TOT= -4.2612219 <-- SPRD + 48 -0.270E-07 0.0001760238 1.6340876597 0.15 <-- CONV + O_IOD= 1.6340877 O_D= 0.0000000 O_TOT= 1.6340877 <-- SPRD Delta: O_IOD= 0.1708809E-03 O_D= 0.0000000E+00 O_TOT= -0.2696390E-07 <-- DLTA ------------------------------------------------------------------------------ Cycle: 49 @@ -790,8 +790,8 @@ Delta: O_IOD= 0.1708809E-03 O_D= 0.0000000E+00 O_TOT= -0.2696390E-07 <-- DLTA WF centre and spread 4 ( -1.073982, -1.239533, -1.239533 ) 2.74762307 Sum of centres and spreads ( -0.007646, 0.007646, 0.007646 ) 9.87695678 - 49 -0.195E-07 0.0001290570 -4.2612219254 0.12 <-- CONV - O_IOD= -4.2612219 O_D= 0.0000000 O_TOT= -4.2612219 <-- SPRD + 49 -0.195E-07 0.0001290570 1.6340876402 0.15 <-- CONV + O_IOD= 1.6340876 O_D= 0.0000000 O_TOT= 1.6340876 <-- SPRD Delta: O_IOD= 0.2091638E-03 O_D= 0.0000000E+00 O_TOT= -0.1954492E-07 <-- DLTA ------------------------------------------------------------------------------ Cycle: 50 @@ -801,8 +801,8 @@ Delta: O_IOD= 0.2091638E-03 O_D= 0.0000000E+00 O_TOT= -0.1954492E-07 <-- DLTA WF centre and spread 4 ( -1.073991, -1.239553, -1.239553 ) 2.74763892 Sum of centres and spreads ( -0.007643, 0.007643, 0.007643 ) 9.87700431 - 50 -0.165E-07 0.0001400524 -4.2612219419 0.12 <-- CONV - O_IOD= -4.2612219 O_D= 0.0000000 O_TOT= -4.2612219 <-- SPRD + 50 -0.165E-07 0.0001400524 1.6340876236 0.15 <-- CONV + O_IOD= 1.6340876 O_D= 0.0000000 O_TOT= 1.6340876 <-- SPRD Delta: O_IOD= 0.2272741E-03 O_D= 0.0000000E+00 O_TOT= -0.1652332E-07 <-- DLTA ------------------------------------------------------------------------------ Cycle: 51 @@ -812,8 +812,8 @@ Delta: O_IOD= 0.2272741E-03 O_D= 0.0000000E+00 O_TOT= -0.1652332E-07 <-- DLTA WF centre and spread 4 ( -1.074007, -1.239583, -1.239583 ) 2.74766305 Sum of centres and spreads ( -0.007638, 0.007638, 0.007638 ) 9.87707674 - 51 -0.180E-07 0.0000965462 -4.2612219599 0.12 <-- CONV - O_IOD= -4.2612220 O_D= 0.0000000 O_TOT= -4.2612220 <-- SPRD + 51 -0.180E-07 0.0000965462 1.6340876056 0.16 <-- CONV + O_IOD= 1.6340876 O_D= 0.0000000 O_TOT= 1.6340876 <-- SPRD Delta: O_IOD= 0.3383346E-03 O_D= 0.0000000E+00 O_TOT= -0.1802621E-07 <-- DLTA ------------------------------------------------------------------------------ Cycle: 52 @@ -823,8 +823,8 @@ Delta: O_IOD= 0.3383346E-03 O_D= 0.0000000E+00 O_TOT= -0.1802621E-07 <-- DLTA WF centre and spread 4 ( -1.074009, -1.239586, -1.239586 ) 2.74766599 Sum of centres and spreads ( -0.007637, 0.007637, 0.007637 ) 9.87708554 - 52 -0.120E-07 0.0001016481 -4.2612219720 0.12 <-- CONV - O_IOD= -4.2612220 O_D= 0.0000000 O_TOT= -4.2612220 <-- SPRD + 52 -0.120E-07 0.0001016481 1.6340875936 0.16 <-- CONV + O_IOD= 1.6340876 O_D= 0.0000000 O_TOT= 1.6340876 <-- SPRD Delta: O_IOD= 0.3841849E-04 O_D= 0.0000000E+00 O_TOT= -0.1204532E-07 <-- DLTA ------------------------------------------------------------------------------ Cycle: 53 @@ -834,8 +834,8 @@ Delta: O_IOD= 0.3841849E-04 O_D= 0.0000000E+00 O_TOT= -0.1204532E-07 <-- DLTA WF centre and spread 4 ( -1.074013, -1.239594, -1.239594 ) 2.74767153 Sum of centres and spreads ( -0.007636, 0.007636, 0.007636 ) 9.87710215 - 53 -0.713E-08 0.0000673563 -4.2612219791 0.13 <-- CONV - O_IOD= -4.2612220 O_D= 0.0000000 O_TOT= -4.2612220 <-- SPRD + 53 -0.713E-08 0.0000673563 1.6340875864 0.16 <-- CONV + O_IOD= 1.6340876 O_D= 0.0000000 O_TOT= 1.6340876 <-- SPRD Delta: O_IOD= 0.7413891E-04 O_D= 0.0000000E+00 O_TOT= -0.7133281E-08 <-- DLTA ------------------------------------------------------------------------------ Cycle: 54 @@ -845,8 +845,8 @@ Delta: O_IOD= 0.7413891E-04 O_D= 0.0000000E+00 O_TOT= -0.7133281E-08 <-- DLTA WF centre and spread 4 ( -1.074017, -1.239600, -1.239600 ) 2.74767635 Sum of centres and spreads ( -0.007635, 0.007635, 0.007635 ) 9.87711662 - 54 -0.399E-08 0.0000722270 -4.2612219831 0.13 <-- CONV - O_IOD= -4.2612220 O_D= 0.0000000 O_TOT= -4.2612220 <-- SPRD + 54 -0.399E-08 0.0000722270 1.6340875825 0.16 <-- CONV + O_IOD= 1.6340876 O_D= 0.0000000 O_TOT= 1.6340876 <-- SPRD Delta: O_IOD= 0.6571111E-04 O_D= 0.0000000E+00 O_TOT= -0.3986289E-08 <-- DLTA ------------------------------------------------------------------------------ Cycle: 55 @@ -856,8 +856,8 @@ Delta: O_IOD= 0.6571111E-04 O_D= 0.0000000E+00 O_TOT= -0.3986289E-08 <-- DLTA WF centre and spread 4 ( -1.074023, -1.239610, -1.239610 ) 2.74768428 Sum of centres and spreads ( -0.007633, 0.007633, 0.007633 ) 9.87714040 - 55 -0.420E-08 0.0000561357 -4.2612219873 0.13 <-- CONV - O_IOD= -4.2612220 O_D= 0.0000000 O_TOT= -4.2612220 <-- SPRD + 55 -0.420E-08 0.0000561357 1.6340875783 0.17 <-- CONV + O_IOD= 1.6340876 O_D= 0.0000000 O_TOT= 1.6340876 <-- SPRD Delta: O_IOD= 0.1102055E-03 O_D= 0.0000000E+00 O_TOT= -0.4203685E-08 <-- DLTA ------------------------------------------------------------------------------ Cycle: 56 @@ -867,8 +867,8 @@ Delta: O_IOD= 0.1102055E-03 O_D= 0.0000000E+00 O_TOT= -0.4203685E-08 <-- DLTA WF centre and spread 4 ( -1.074029, -1.239621, -1.239621 ) 2.74769297 Sum of centres and spreads ( -0.007631, 0.007631, 0.007631 ) 9.87716647 - 56 -0.356E-08 0.0000593107 -4.2612219909 0.13 <-- CONV - O_IOD= -4.2612220 O_D= 0.0000000 O_TOT= -4.2612220 <-- SPRD + 56 -0.356E-08 0.0000593107 1.6340875747 0.17 <-- CONV + O_IOD= 1.6340876 O_D= 0.0000000 O_TOT= 1.6340876 <-- SPRD Delta: O_IOD= 0.1229362E-03 O_D= 0.0000000E+00 O_TOT= -0.3561147E-08 <-- DLTA ------------------------------------------------------------------------------ Cycle: 57 @@ -878,8 +878,8 @@ Delta: O_IOD= 0.1229362E-03 O_D= 0.0000000E+00 O_TOT= -0.3561147E-08 <-- DLTA WF centre and spread 4 ( -1.074037, -1.239637, -1.239637 ) 2.74770536 Sum of centres and spreads ( -0.007629, 0.007629, 0.007629 ) 9.87720365 - 57 -0.386E-08 0.0000465055 -4.2612219947 0.13 <-- CONV - O_IOD= -4.2612220 O_D= 0.0000000 O_TOT= -4.2612220 <-- SPRD + 57 -0.386E-08 0.0000465055 1.6340875708 0.17 <-- CONV + O_IOD= 1.6340876 O_D= 0.0000000 O_TOT= 1.6340876 <-- SPRD Delta: O_IOD= 0.1786505E-03 O_D= 0.0000000E+00 O_TOT= -0.3856843E-08 <-- DLTA ------------------------------------------------------------------------------ Cycle: 58 @@ -889,8 +889,8 @@ Delta: O_IOD= 0.1786505E-03 O_D= 0.0000000E+00 O_TOT= -0.3856843E-08 <-- DLTA WF centre and spread 4 ( -1.074037, -1.239638, -1.239638 ) 2.74770633 Sum of centres and spreads ( -0.007629, 0.007629, 0.007629 ) 9.87720655 - 58 -0.231E-08 0.0000520492 -4.2612219970 0.14 <-- CONV - O_IOD= -4.2612220 O_D= 0.0000000 O_TOT= -4.2612220 <-- SPRD + 58 -0.231E-08 0.0000520492 1.6340875685 0.17 <-- CONV + O_IOD= 1.6340876 O_D= 0.0000000 O_TOT= 1.6340876 <-- SPRD Delta: O_IOD= 0.1430566E-04 O_D= 0.0000000E+00 O_TOT= -0.2312696E-08 <-- DLTA ------------------------------------------------------------------------------ Cycle: 59 @@ -900,8 +900,8 @@ Delta: O_IOD= 0.1430566E-04 O_D= 0.0000000E+00 O_TOT= -0.2312696E-08 <-- DLTA WF centre and spread 4 ( -1.074038, -1.239640, -1.239640 ) 2.74770816 Sum of centres and spreads ( -0.007628, 0.007628, 0.007628 ) 9.87721205 - 59 -0.109E-08 0.0000300639 -4.2612219981 0.14 <-- CONV - O_IOD= -4.2612220 O_D= 0.0000000 O_TOT= -4.2612220 <-- SPRD + 59 -0.109E-08 0.0000300639 1.6340875674 0.18 <-- CONV + O_IOD= 1.6340876 O_D= 0.0000000 O_TOT= 1.6340876 <-- SPRD Delta: O_IOD= 0.2713517E-04 O_D= 0.0000000E+00 O_TOT= -0.1085227E-08 <-- DLTA ------------------------------------------------------------------------------ Cycle: 60 @@ -911,8 +911,8 @@ Delta: O_IOD= 0.2713517E-04 O_D= 0.0000000E+00 O_TOT= -0.1085227E-08 <-- DLTA WF centre and spread 4 ( -1.074039, -1.239642, -1.239642 ) 2.74770987 Sum of centres and spreads ( -0.007628, 0.007628, 0.007628 ) 9.87721719 - 60 -0.612E-09 0.0000282529 -4.2612219987 0.14 <-- CONV - O_IOD= -4.2612220 O_D= 0.0000000 O_TOT= -4.2612220 <-- SPRD + 60 -0.612E-09 0.0000282529 1.6340875668 0.18 <-- CONV + O_IOD= 1.6340876 O_D= 0.0000000 O_TOT= 1.6340876 <-- SPRD Delta: O_IOD= 0.2503864E-04 O_D= 0.0000000E+00 O_TOT= -0.6115775E-09 <-- DLTA ------------------------------------------------------------------------------ Cycle: 61 @@ -922,8 +922,8 @@ Delta: O_IOD= 0.2503864E-04 O_D= 0.0000000E+00 O_TOT= -0.6115775E-09 <-- DLTA WF centre and spread 4 ( -1.074040, -1.239645, -1.239645 ) 2.74771198 Sum of centres and spreads ( -0.007628, 0.007628, 0.007628 ) 9.87722350 - 61 -0.427E-09 0.0000191253 -4.2612219992 0.14 <-- CONV - O_IOD= -4.2612220 O_D= 0.0000000 O_TOT= -4.2612220 <-- SPRD + 61 -0.427E-09 0.0000191253 1.6340875664 0.18 <-- CONV + O_IOD= 1.6340876 O_D= 0.0000000 O_TOT= 1.6340876 <-- SPRD Delta: O_IOD= 0.3005636E-04 O_D= 0.0000000E+00 O_TOT= -0.4274572E-09 <-- DLTA ------------------------------------------------------------------------------ Cycle: 62 @@ -933,8 +933,8 @@ Delta: O_IOD= 0.3005636E-04 O_D= 0.0000000E+00 O_TOT= -0.4274572E-09 <-- DLTA WF centre and spread 4 ( -1.074041, -1.239648, -1.239648 ) 2.74771436 Sum of centres and spreads ( -0.007627, 0.007627, 0.007627 ) 9.87723066 - 62 -0.366E-09 0.0000219439 -4.2612219995 0.15 <-- CONV - O_IOD= -4.2612220 O_D= 0.0000000 O_TOT= -4.2612220 <-- SPRD + 62 -0.366E-09 0.0000219439 1.6340875660 0.18 <-- CONV + O_IOD= 1.6340876 O_D= 0.0000000 O_TOT= 1.6340876 <-- SPRD Delta: O_IOD= 0.3384293E-04 O_D= 0.0000000E+00 O_TOT= -0.3663185E-09 <-- DLTA ------------------------------------------------------------------------------ Cycle: 63 @@ -944,8 +944,8 @@ Delta: O_IOD= 0.3384293E-04 O_D= 0.0000000E+00 O_TOT= -0.3663185E-09 <-- DLTA WF centre and spread 4 ( -1.074043, -1.239651, -1.239651 ) 2.74771724 Sum of centres and spreads ( -0.007627, 0.007627, 0.007627 ) 9.87723929 - 63 -0.368E-09 0.0000147242 -4.2612219999 0.15 <-- CONV - O_IOD= -4.2612220 O_D= 0.0000000 O_TOT= -4.2612220 <-- SPRD + 63 -0.368E-09 0.0000147242 1.6340875657 0.19 <-- CONV + O_IOD= 1.6340876 O_D= 0.0000000 O_TOT= 1.6340876 <-- SPRD Delta: O_IOD= 0.4024997E-04 O_D= 0.0000000E+00 O_TOT= -0.3681757E-09 <-- DLTA ------------------------------------------------------------------------------ Cycle: 64 @@ -955,8 +955,8 @@ Delta: O_IOD= 0.4024997E-04 O_D= 0.0000000E+00 O_TOT= -0.3681757E-09 <-- DLTA WF centre and spread 4 ( -1.074044, -1.239652, -1.239652 ) 2.74771767 Sum of centres and spreads ( -0.007627, 0.007627, 0.007627 ) 9.87724057 - 64 -0.213E-09 0.0000141537 -4.2612220001 0.15 <-- CONV - O_IOD= -4.2612220 O_D= 0.0000000 O_TOT= -4.2612220 <-- SPRD + 64 -0.213E-09 0.0000141537 1.6340875654 0.19 <-- CONV + O_IOD= 1.6340876 O_D= 0.0000000 O_TOT= 1.6340876 <-- SPRD Delta: O_IOD= 0.5851895E-05 O_D= 0.0000000E+00 O_TOT= -0.2132614E-09 <-- DLTA ------------------------------------------------------------------------------ Cycle: 65 @@ -966,8 +966,8 @@ Delta: O_IOD= 0.5851895E-05 O_D= 0.0000000E+00 O_TOT= -0.2132614E-09 <-- DLTA WF centre and spread 4 ( -1.074044, -1.239653, -1.239653 ) 2.74771811 Sum of centres and spreads ( -0.007626, 0.007626, 0.007626 ) 9.87724189 - 65 -0.125E-09 0.0000120735 -4.2612220002 0.15 <-- CONV - O_IOD= -4.2612220 O_D= 0.0000000 O_TOT= -4.2612220 <-- SPRD + 65 -0.125E-09 0.0000120735 1.6340875653 0.19 <-- CONV + O_IOD= 1.6340876 O_D= 0.0000000 O_TOT= 1.6340876 <-- SPRD Delta: O_IOD= 0.6047795E-05 O_D= 0.0000000E+00 O_TOT= -0.1253193E-09 <-- DLTA ------------------------------------------------------------------------------ Cycle: 66 @@ -977,8 +977,8 @@ Delta: O_IOD= 0.6047795E-05 O_D= 0.0000000E+00 O_TOT= -0.1253193E-09 <-- DLTA WF centre and spread 4 ( -1.074044, -1.239654, -1.239654 ) 2.74771887 Sum of centres and spreads ( -0.007626, 0.007626, 0.007626 ) 9.87724419 - 66 -0.114E-09 0.0000084289 -4.2612220003 0.15 <-- CONV - O_IOD= -4.2612220 O_D= 0.0000000 O_TOT= -4.2612220 <-- SPRD + 66 -0.114E-09 0.0000084289 1.6340875652 0.19 <-- CONV + O_IOD= 1.6340876 O_D= 0.0000000 O_TOT= 1.6340876 <-- SPRD Delta: O_IOD= 0.1069747E-04 O_D= 0.0000000E+00 O_TOT= -0.1138272E-09 <-- DLTA ------------------------------------------------------------------------------ Cycle: 67 @@ -988,8 +988,8 @@ Delta: O_IOD= 0.1069747E-04 O_D= 0.0000000E+00 O_TOT= -0.1138272E-09 <-- DLTA WF centre and spread 4 ( -1.074045, -1.239655, -1.239655 ) 2.74771996 Sum of centres and spreads ( -0.007626, 0.007626, 0.007626 ) 9.87724745 - 67 -0.977E-10 0.0000087316 -4.2612220004 0.16 <-- CONV - O_IOD= -4.2612220 O_D= 0.0000000 O_TOT= -4.2612220 <-- SPRD + 67 -0.977E-10 0.0000087316 1.6340875651 0.19 <-- CONV + O_IOD= 1.6340876 O_D= 0.0000000 O_TOT= 1.6340876 <-- SPRD Delta: O_IOD= 0.1520760E-04 O_D= 0.0000000E+00 O_TOT= -0.9772716E-10 <-- DLTA ------------------------------------------------------------------------------ Cycle: 68 @@ -999,8 +999,8 @@ Delta: O_IOD= 0.1520760E-04 O_D= 0.0000000E+00 O_TOT= -0.9772716E-10 <-- DLTA WF centre and spread 4 ( -1.074047, -1.239658, -1.239658 ) 2.74772248 Sum of centres and spreads ( -0.007626, 0.007626, 0.007626 ) 9.87725502 - 68 -0.817E-10 0.0000084706 -4.2612220005 0.16 <-- CONV - O_IOD= -4.2612220 O_D= 0.0000000 O_TOT= -4.2612220 <-- SPRD + 68 -0.817E-10 0.0000084706 1.6340875650 0.20 <-- CONV + O_IOD= 1.6340876 O_D= 0.0000000 O_TOT= 1.6340876 <-- SPRD Delta: O_IOD= 0.3566854E-04 O_D= 0.0000000E+00 O_TOT= -0.8174084E-10 <-- DLTA ------------------------------------------------------------------------------ Cycle: 69 @@ -1010,8 +1010,8 @@ Delta: O_IOD= 0.3566854E-04 O_D= 0.0000000E+00 O_TOT= -0.8174084E-10 <-- DLTA WF centre and spread 4 ( -1.074048, -1.239660, -1.239660 ) 2.74772363 Sum of centres and spreads ( -0.007625, 0.007625, 0.007625 ) 9.87725847 - 69 -0.218E-10 0.0000132779 -4.2612220005 0.16 <-- CONV - O_IOD= -4.2612220 O_D= 0.0000000 O_TOT= -4.2612220 <-- SPRD + 69 -0.218E-10 0.0000132779 1.6340875650 0.20 <-- CONV + O_IOD= 1.6340876 O_D= 0.0000000 O_TOT= 1.6340876 <-- SPRD Delta: O_IOD= 0.1632202E-04 O_D= 0.0000000E+00 O_TOT= -0.2175504E-10 <-- DLTA ------------------------------------------------------------------------------ Cycle: 70 @@ -1021,8 +1021,8 @@ Delta: O_IOD= 0.1632202E-04 O_D= 0.0000000E+00 O_TOT= -0.2175504E-10 <-- DLTA WF centre and spread 4 ( -1.074048, -1.239660, -1.239660 ) 2.74772378 Sum of centres and spreads ( -0.007625, 0.007625, 0.007625 ) 9.87725891 - 70 -0.100E-09 0.0000118350 -4.2612220006 0.16 <-- CONV - O_IOD= -4.2612220 O_D= 0.0000000 O_TOT= -4.2612220 <-- SPRD + 70 -0.100E-09 0.0000118350 1.6340875649 0.20 <-- CONV + O_IOD= 1.6340876 O_D= 0.0000000 O_TOT= 1.6340876 <-- SPRD Delta: O_IOD= 0.2246586E-05 O_D= 0.0000000E+00 O_TOT= -0.1004867E-09 <-- DLTA ------------------------------------------------------------------------------ Cycle: 71 @@ -1032,8 +1032,8 @@ Delta: O_IOD= 0.2246586E-05 O_D= 0.0000000E+00 O_TOT= -0.1004867E-09 <-- DLTA WF centre and spread 4 ( -1.074048, -1.239661, -1.239661 ) 2.74772434 Sum of centres and spreads ( -0.007625, 0.007625, 0.007625 ) 9.87726059 - 71 0.322E-10 0.0000078288 -4.2612220006 0.16 <-- CONV - O_IOD= -4.2612220 O_D= 0.0000000 O_TOT= -4.2612220 <-- SPRD + 71 0.322E-10 0.0000078288 1.6340875649 0.20 <-- CONV + O_IOD= 1.6340876 O_D= 0.0000000 O_TOT= 1.6340876 <-- SPRD Delta: O_IOD= 0.8484169E-05 O_D= 0.0000000E+00 O_TOT= 0.3218048E-10 <-- DLTA ------------------------------------------------------------------------------ Cycle: 72 @@ -1043,8 +1043,8 @@ Delta: O_IOD= 0.8484169E-05 O_D= 0.0000000E+00 O_TOT= 0.3218048E-10 <-- DLTA WF centre and spread 4 ( -1.074048, -1.239661, -1.239661 ) 2.74772439 Sum of centres and spreads ( -0.007625, 0.007625, 0.007625 ) 9.87726074 - 72 -0.135E-09 0.0000196478 -4.2612220007 0.17 <-- CONV - O_IOD= -4.2612220 O_D= 0.0000000 O_TOT= -4.2612220 <-- SPRD + 72 -0.135E-09 0.0000196478 1.6340875648 0.21 <-- CONV + O_IOD= 1.6340876 O_D= 0.0000000 O_TOT= 1.6340876 <-- SPRD Delta: O_IOD= 0.6513689E-06 O_D= 0.0000000E+00 O_TOT= -0.1347775E-09 <-- DLTA ------------------------------------------------------------------------------ Cycle: 73 @@ -1054,8 +1054,8 @@ Delta: O_IOD= 0.6513689E-06 O_D= 0.0000000E+00 O_TOT= -0.1347775E-09 <-- DLTA WF centre and spread 4 ( -1.074048, -1.239661, -1.239661 ) 2.74772439 Sum of centres and spreads ( -0.007625, 0.007625, 0.007625 ) 9.87726075 - 73 -0.940E-12 0.0000049041 -4.2612220007 0.17 <-- CONV - O_IOD= -4.2612220 O_D= 0.0000000 O_TOT= -4.2612220 <-- SPRD + 73 -0.940E-12 0.0000049041 1.6340875648 0.21 <-- CONV + O_IOD= 1.6340876 O_D= 0.0000000 O_TOT= 1.6340876 <-- SPRD Delta: O_IOD= 0.3775866E-07 O_D= 0.0000000E+00 O_TOT= -0.9396928E-12 <-- DLTA ------------------------------------------------------------------------------ Cycle: 74 @@ -1065,8 +1065,8 @@ Delta: O_IOD= 0.3775866E-07 O_D= 0.0000000E+00 O_TOT= -0.9396928E-12 <-- DLTA WF centre and spread 4 ( -1.074048, -1.239661, -1.239661 ) 2.74772448 Sum of centres and spreads ( -0.007625, 0.007625, 0.007625 ) 9.87726102 - 74 -0.152E-10 0.0000047658 -4.2612220008 0.17 <-- CONV - O_IOD= -4.2612220 O_D= 0.0000000 O_TOT= -4.2612220 <-- SPRD + 74 -0.152E-10 0.0000047658 1.6340875648 0.21 <-- CONV + O_IOD= 1.6340876 O_D= 0.0000000 O_TOT= 1.6340876 <-- SPRD Delta: O_IOD= 0.1225962E-05 O_D= 0.0000000E+00 O_TOT= -0.1517630E-10 <-- DLTA ------------------------------------------------------------------------------ Cycle: 75 @@ -1076,8 +1076,8 @@ Delta: O_IOD= 0.1225962E-05 O_D= 0.0000000E+00 O_TOT= -0.1517630E-10 <-- DLTA WF centre and spread 4 ( -1.074048, -1.239661, -1.239661 ) 2.74772449 Sum of centres and spreads ( -0.007625, 0.007625, 0.007625 ) 9.87726103 - 75 -0.236E-12 0.0000022754 -4.2612220008 0.17 <-- CONV - O_IOD= -4.2612220 O_D= 0.0000000 O_TOT= -4.2612220 <-- SPRD + 75 -0.236E-12 0.0000022754 1.6340875648 0.21 <-- CONV + O_IOD= 1.6340876 O_D= 0.0000000 O_TOT= 1.6340876 <-- SPRD Delta: O_IOD= 0.5043563E-07 O_D= 0.0000000E+00 O_TOT= -0.2362555E-12 <-- DLTA ------------------------------------------------------------------------------ Cycle: 76 @@ -1087,8 +1087,8 @@ Delta: O_IOD= 0.5043563E-07 O_D= 0.0000000E+00 O_TOT= -0.2362555E-12 <-- DLTA WF centre and spread 4 ( -1.074048, -1.239661, -1.239661 ) 2.74772453 Sum of centres and spreads ( -0.007625, 0.007625, 0.007625 ) 9.87726116 - 76 -0.255E-11 0.0000022498 -4.2612220008 0.17 <-- CONV - O_IOD= -4.2612220 O_D= 0.0000000 O_TOT= -4.2612220 <-- SPRD + 76 -0.255E-11 0.0000022498 1.6340875648 0.21 <-- CONV + O_IOD= 1.6340876 O_D= 0.0000000 O_TOT= 1.6340876 <-- SPRD Delta: O_IOD= 0.6320912E-06 O_D= 0.0000000E+00 O_TOT= -0.2548184E-11 <-- DLTA ------------------------------------------------------------------------------ Cycle: 77 @@ -1098,8 +1098,8 @@ Delta: O_IOD= 0.6320912E-06 O_D= 0.0000000E+00 O_TOT= -0.2548184E-11 <-- DLTA WF centre and spread 4 ( -1.074048, -1.239661, -1.239661 ) 2.74772472 Sum of centres and spreads ( -0.007625, 0.007625, 0.007625 ) 9.87726174 - 77 -0.476E-11 0.0000017887 -4.2612220008 0.18 <-- CONV - O_IOD= -4.2612220 O_D= 0.0000000 O_TOT= -4.2612220 <-- SPRD + 77 -0.476E-11 0.0000017887 1.6340875648 0.21 <-- CONV + O_IOD= 1.6340876 O_D= 0.0000000 O_TOT= 1.6340876 <-- SPRD Delta: O_IOD= 0.2673856E-05 O_D= 0.0000000E+00 O_TOT= -0.4761525E-11 <-- DLTA ------------------------------------------------------------------------------ Cycle: 78 @@ -1109,8 +1109,8 @@ Delta: O_IOD= 0.2673856E-05 O_D= 0.0000000E+00 O_TOT= -0.4761525E-11 <-- DLTA WF centre and spread 4 ( -1.074048, -1.239661, -1.239661 ) 2.74772477 Sum of centres and spreads ( -0.007625, 0.007625, 0.007625 ) 9.87726188 - 78 -0.373E-11 0.0000030110 -4.2612220008 0.18 <-- CONV - O_IOD= -4.2612220 O_D= 0.0000000 O_TOT= -4.2612220 <-- SPRD + 78 -0.373E-11 0.0000030110 1.6340875648 0.22 <-- CONV + O_IOD= 1.6340876 O_D= 0.0000000 O_TOT= 1.6340876 <-- SPRD Delta: O_IOD= 0.6623385E-06 O_D= 0.0000000E+00 O_TOT= -0.3732126E-11 <-- DLTA ------------------------------------------------------------------------------ Cycle: 79 @@ -1120,8 +1120,8 @@ Delta: O_IOD= 0.6623385E-06 O_D= 0.0000000E+00 O_TOT= -0.3732126E-11 <-- DLTA WF centre and spread 4 ( -1.074048, -1.239661, -1.239661 ) 2.74772478 Sum of centres and spreads ( -0.007625, 0.007625, 0.007625 ) 9.87726191 - 79 -0.282E-12 0.0000015914 -4.2612220008 0.18 <-- CONV - O_IOD= -4.2612220 O_D= 0.0000000 O_TOT= -4.2612220 <-- SPRD + 79 -0.282E-12 0.0000015914 1.6340875648 0.22 <-- CONV + O_IOD= 1.6340876 O_D= 0.0000000 O_TOT= 1.6340876 <-- SPRD Delta: O_IOD= 0.1140620E-06 O_D= 0.0000000E+00 O_TOT= -0.2824407E-12 <-- DLTA ------------------------------------------------------------------------------ Cycle: 80 @@ -1131,8 +1131,8 @@ Delta: O_IOD= 0.1140620E-06 O_D= 0.0000000E+00 O_TOT= -0.2824407E-12 <-- DLTA WF centre and spread 4 ( -1.074048, -1.239661, -1.239661 ) 2.74772480 Sum of centres and spreads ( -0.007625, 0.007625, 0.007625 ) 9.87726197 - 80 -0.794E-12 0.0000015679 -4.2612220008 0.18 <-- CONV - O_IOD= -4.2612220 O_D= 0.0000000 O_TOT= -4.2612220 <-- SPRD + 80 -0.794E-12 0.0000015679 1.6340875648 0.22 <-- CONV + O_IOD= 1.6340876 O_D= 0.0000000 O_TOT= 1.6340876 <-- SPRD Delta: O_IOD= 0.3026783E-06 O_D= 0.0000000E+00 O_TOT= -0.7940315E-12 <-- DLTA ------------------------------------------------------------------------------ Cycle: 81 @@ -1142,8 +1142,8 @@ Delta: O_IOD= 0.3026783E-06 O_D= 0.0000000E+00 O_TOT= -0.7940315E-12 <-- DLTA WF centre and spread 4 ( -1.074048, -1.239661, -1.239661 ) 2.74772485 Sum of centres and spreads ( -0.007625, 0.007625, 0.007625 ) 9.87726212 - 81 -0.161E-11 0.0000014284 -4.2612220008 0.18 <-- CONV - O_IOD= -4.2612220 O_D= 0.0000000 O_TOT= -4.2612220 <-- SPRD + 81 -0.161E-11 0.0000014284 1.6340875648 0.22 <-- CONV + O_IOD= 1.6340876 O_D= 0.0000000 O_TOT= 1.6340876 <-- SPRD Delta: O_IOD= 0.6883841E-06 O_D= 0.0000000E+00 O_TOT= -0.1614708E-11 <-- DLTA ------------------------------------------------------------------------------ Cycle: 82 @@ -1153,8 +1153,8 @@ Delta: O_IOD= 0.6883841E-06 O_D= 0.0000000E+00 O_TOT= -0.1614708E-11 <-- DLTA WF centre and spread 4 ( -1.074048, -1.239661, -1.239661 ) 2.74772488 Sum of centres and spreads ( -0.007625, 0.007625, 0.007625 ) 9.87726222 - 82 -0.958E-12 0.0000012826 -4.2612220008 0.19 <-- CONV - O_IOD= -4.2612220 O_D= 0.0000000 O_TOT= -4.2612220 <-- SPRD + 82 -0.958E-12 0.0000012826 1.6340875648 0.23 <-- CONV + O_IOD= 1.6340876 O_D= 0.0000000 O_TOT= 1.6340876 <-- SPRD Delta: O_IOD= 0.4774233E-06 O_D= 0.0000000E+00 O_TOT= -0.9583445E-12 <-- DLTA ------------------------------------------------------------------------------ Cycle: 83 @@ -1164,8 +1164,8 @@ Delta: O_IOD= 0.4774233E-06 O_D= 0.0000000E+00 O_TOT= -0.9583445E-12 <-- DLTA WF centre and spread 4 ( -1.074048, -1.239661, -1.239661 ) 2.74772489 Sum of centres and spreads ( -0.007625, 0.007625, 0.007625 ) 9.87726225 - 83 -0.279E-12 0.0000013175 -4.2612220008 0.19 <-- CONV - O_IOD= -4.2612220 O_D= 0.0000000 O_TOT= -4.2612220 <-- SPRD + 83 -0.279E-12 0.0000013175 1.6340875648 0.23 <-- CONV + O_IOD= 1.6340876 O_D= 0.0000000 O_TOT= 1.6340876 <-- SPRD Delta: O_IOD= 0.1339451E-06 O_D= 0.0000000E+00 O_TOT= -0.2788880E-12 <-- DLTA ------------------------------------------------------------------------------ Cycle: 84 @@ -1175,8 +1175,8 @@ Delta: O_IOD= 0.1339451E-06 O_D= 0.0000000E+00 O_TOT= -0.2788880E-12 <-- DLTA WF centre and spread 4 ( -1.074048, -1.239661, -1.239661 ) 2.74772490 Sum of centres and spreads ( -0.007625, 0.007625, 0.007625 ) 9.87726226 - 84 -0.817E-13 0.0000013245 -4.2612220008 0.19 <-- CONV - O_IOD= -4.2612220 O_D= 0.0000000 O_TOT= -4.2612220 <-- SPRD + 84 -0.817E-13 0.0000013245 1.6340875648 0.23 <-- CONV + O_IOD= 1.6340876 O_D= 0.0000000 O_TOT= 1.6340876 <-- SPRD Delta: O_IOD= 0.2888911E-07 O_D= 0.0000000E+00 O_TOT= -0.8171241E-13 <-- DLTA ------------------------------------------------------------------------------ Cycle: 85 @@ -1186,8 +1186,8 @@ Delta: O_IOD= 0.2888911E-07 O_D= 0.0000000E+00 O_TOT= -0.8171241E-13 <-- DLTA WF centre and spread 4 ( -1.074048, -1.239661, -1.239661 ) 2.74772491 Sum of centres and spreads ( -0.007625, 0.007625, 0.007625 ) 9.87726231 - 85 -0.552E-12 0.0000013145 -4.2612220008 0.19 <-- CONV - O_IOD= -4.2612220 O_D= 0.0000000 O_TOT= -4.2612220 <-- SPRD + 85 -0.552E-12 0.0000013145 1.6340875648 0.23 <-- CONV + O_IOD= 1.6340876 O_D= 0.0000000 O_TOT= 1.6340876 <-- SPRD Delta: O_IOD= 0.2423213E-06 O_D= 0.0000000E+00 O_TOT= -0.5524470E-12 <-- DLTA ------------------------------------------------------------------------------ Cycle: 86 @@ -1197,8 +1197,8 @@ Delta: O_IOD= 0.2423213E-06 O_D= 0.0000000E+00 O_TOT= -0.5524470E-12 <-- DLTA WF centre and spread 4 ( -1.074048, -1.239661, -1.239661 ) 2.74772493 Sum of centres and spreads ( -0.007625, 0.007625, 0.007625 ) 9.87726236 - 86 -0.439E-12 0.0000012525 -4.2612220008 0.19 <-- CONV - O_IOD= -4.2612220 O_D= 0.0000000 O_TOT= -4.2612220 <-- SPRD + 86 -0.439E-12 0.0000012525 1.6340875648 0.23 <-- CONV + O_IOD= 1.6340876 O_D= 0.0000000 O_TOT= 1.6340876 <-- SPRD Delta: O_IOD= 0.2210345E-06 O_D= 0.0000000E+00 O_TOT= -0.4387601E-12 <-- DLTA ------------------------------------------------------------------------------ Cycle: 87 @@ -1208,8 +1208,8 @@ Delta: O_IOD= 0.2210345E-06 O_D= 0.0000000E+00 O_TOT= -0.4387601E-12 <-- DLTA WF centre and spread 4 ( -1.074048, -1.239661, -1.239661 ) 2.74772494 Sum of centres and spreads ( -0.007625, 0.007625, 0.007625 ) 9.87726238 - 87 -0.241E-12 0.0000012288 -4.2612220008 0.19 <-- CONV - O_IOD= -4.2612220 O_D= 0.0000000 O_TOT= -4.2612220 <-- SPRD + 87 -0.241E-12 0.0000012288 1.6340875648 0.23 <-- CONV + O_IOD= 1.6340876 O_D= 0.0000000 O_TOT= 1.6340876 <-- SPRD Delta: O_IOD= 0.1061185E-06 O_D= 0.0000000E+00 O_TOT= -0.2406964E-12 <-- DLTA ------------------------------------------------------------------------------ Cycle: 88 @@ -1219,8 +1219,8 @@ Delta: O_IOD= 0.1061185E-06 O_D= 0.0000000E+00 O_TOT= -0.2406964E-12 <-- DLTA WF centre and spread 4 ( -1.074048, -1.239661, -1.239661 ) 2.74772497 Sum of centres and spreads ( -0.007625, 0.007625, 0.007625 ) 9.87726247 - 88 -0.760E-12 0.0000012245 -4.2612220008 0.20 <-- CONV - O_IOD= -4.2612220 O_D= 0.0000000 O_TOT= -4.2612220 <-- SPRD + 88 -0.760E-12 0.0000012245 1.6340875648 0.24 <-- CONV + O_IOD= 1.6340876 O_D= 0.0000000 O_TOT= 1.6340876 <-- SPRD Delta: O_IOD= 0.3989984E-06 O_D= 0.0000000E+00 O_TOT= -0.7602807E-12 <-- DLTA ------------------------------------------------------------------------------ Cycle: 89 @@ -1230,8 +1230,8 @@ Delta: O_IOD= 0.3989984E-06 O_D= 0.0000000E+00 O_TOT= -0.7602807E-12 <-- DLTA WF centre and spread 4 ( -1.074048, -1.239661, -1.239661 ) 2.74772498 Sum of centres and spreads ( -0.007625, 0.007625, 0.007625 ) 9.87726250 - 89 -0.354E-12 0.0000012241 -4.2612220008 0.20 <-- CONV - O_IOD= -4.2612220 O_D= 0.0000000 O_TOT= -4.2612220 <-- SPRD + 89 -0.354E-12 0.0000012241 1.6340875648 0.24 <-- CONV + O_IOD= 1.6340876 O_D= 0.0000000 O_TOT= 1.6340876 <-- SPRD Delta: O_IOD= 0.1616358E-06 O_D= 0.0000000E+00 O_TOT= -0.3543832E-12 <-- DLTA ------------------------------------------------------------------------------ Cycle: 90 @@ -1241,8 +1241,8 @@ Delta: O_IOD= 0.1616358E-06 O_D= 0.0000000E+00 O_TOT= -0.3543832E-12 <-- DLTA WF centre and spread 4 ( -1.074048, -1.239661, -1.239661 ) 2.74772498 Sum of centres and spreads ( -0.007625, 0.007625, 0.007625 ) 9.87726251 - 90 -0.488E-13 0.0000012257 -4.2612220008 0.20 <-- CONV - O_IOD= -4.2612220 O_D= 0.0000000 O_TOT= -4.2612220 <-- SPRD + 90 -0.488E-13 0.0000012257 1.6340875648 0.24 <-- CONV + O_IOD= 1.6340876 O_D= 0.0000000 O_TOT= 1.6340876 <-- SPRD Delta: O_IOD= 0.2729826E-07 O_D= 0.0000000E+00 O_TOT= -0.4884981E-13 <-- DLTA ------------------------------------------------------------------------------ Cycle: 91 @@ -1252,8 +1252,8 @@ Delta: O_IOD= 0.2729826E-07 O_D= 0.0000000E+00 O_TOT= -0.4884981E-13 <-- DLTA WF centre and spread 4 ( -1.074048, -1.239661, -1.239661 ) 2.74772499 Sum of centres and spreads ( -0.007625, 0.007625, 0.007625 ) 9.87726254 - 91 -0.324E-12 0.0000012218 -4.2612220008 0.20 <-- CONV - O_IOD= -4.2612220 O_D= 0.0000000 O_TOT= -4.2612220 <-- SPRD + 91 -0.324E-12 0.0000012218 1.6340875648 0.24 <-- CONV + O_IOD= 1.6340876 O_D= 0.0000000 O_TOT= 1.6340876 <-- SPRD Delta: O_IOD= 0.1589679E-06 O_D= 0.0000000E+00 O_TOT= -0.3241851E-12 <-- DLTA ------------------------------------------------------------------------------ Cycle: 92 @@ -1263,8 +1263,8 @@ Delta: O_IOD= 0.1589679E-06 O_D= 0.0000000E+00 O_TOT= -0.3241851E-12 <-- DLTA WF centre and spread 4 ( -1.074048, -1.239661, -1.239661 ) 2.74772500 Sum of centres and spreads ( -0.007625, 0.007625, 0.007625 ) 9.87726256 - 92 -0.179E-12 0.0000012030 -4.2612220008 0.20 <-- CONV - O_IOD= -4.2612220 O_D= 0.0000000 O_TOT= -4.2612220 <-- SPRD + 92 -0.179E-12 0.0000012030 1.6340875648 0.24 <-- CONV + O_IOD= 1.6340876 O_D= 0.0000000 O_TOT= 1.6340876 <-- SPRD Delta: O_IOD= 0.8150540E-07 O_D= 0.0000000E+00 O_TOT= -0.1794120E-12 <-- DLTA ------------------------------------------------------------------------------ Cycle: 93 @@ -1274,8 +1274,8 @@ Delta: O_IOD= 0.8150540E-07 O_D= 0.0000000E+00 O_TOT= -0.1794120E-12 <-- DLTA WF centre and spread 4 ( -1.074049, -1.239661, -1.239661 ) 2.74772503 Sum of centres and spreads ( -0.007625, 0.007625, 0.007625 ) 9.87726267 - 93 -0.997E-12 0.0000011960 -4.2612220008 0.20 <-- CONV - O_IOD= -4.2612220 O_D= 0.0000000 O_TOT= -4.2612220 <-- SPRD + 93 -0.997E-12 0.0000011960 1.6340875648 0.24 <-- CONV + O_IOD= 1.6340876 O_D= 0.0000000 O_TOT= 1.6340876 <-- SPRD Delta: O_IOD= 0.5104941E-06 O_D= 0.0000000E+00 O_TOT= -0.9965362E-12 <-- DLTA ------------------------------------------------------------------------------ Cycle: 94 @@ -1285,8 +1285,8 @@ Delta: O_IOD= 0.5104941E-06 O_D= 0.0000000E+00 O_TOT= -0.9965362E-12 <-- DLTA WF centre and spread 4 ( -1.074049, -1.239662, -1.239662 ) 2.74772518 Sum of centres and spreads ( -0.007625, 0.007625, 0.007625 ) 9.87726311 - 94 -0.376E-11 0.0000011760 -4.2612220008 0.21 <-- CONV - O_IOD= -4.2612220 O_D= 0.0000000 O_TOT= -4.2612220 <-- SPRD + 94 -0.376E-11 0.0000011760 1.6340875648 0.25 <-- CONV + O_IOD= 1.6340876 O_D= 0.0000000 O_TOT= 1.6340876 <-- SPRD Delta: O_IOD= 0.2070441E-05 O_D= 0.0000000E+00 O_TOT= -0.3757883E-11 <-- DLTA ------------------------------------------------------------------------------ Cycle: 95 @@ -1296,8 +1296,8 @@ Delta: O_IOD= 0.2070441E-05 O_D= 0.0000000E+00 O_TOT= -0.3757883E-11 <-- DLTA WF centre and spread 4 ( -1.074049, -1.239663, -1.239663 ) 2.74772655 Sum of centres and spreads ( -0.007625, 0.007625, 0.007625 ) 9.87726721 - 95 -0.234E-10 0.0000012803 -4.2612220008 0.21 <-- CONV - O_IOD= -4.2612220 O_D= 0.0000000 O_TOT= -4.2612220 <-- SPRD + 95 -0.234E-10 0.0000012803 1.6340875647 0.25 <-- CONV + O_IOD= 1.6340876 O_D= 0.0000000 O_TOT= 1.6340876 <-- SPRD Delta: O_IOD= 0.1922426E-04 O_D= 0.0000000E+00 O_TOT= -0.2339373E-10 <-- DLTA ------------------------------------------------------------------------------ Cycle: 96 @@ -1307,8 +1307,8 @@ Delta: O_IOD= 0.1922426E-04 O_D= 0.0000000E+00 O_TOT= -0.2339373E-10 <-- DLTA WF centre and spread 4 ( -1.074049, -1.239663, -1.239663 ) 2.74772655 Sum of centres and spreads ( -0.007625, 0.007625, 0.007625 ) 9.87726722 - 96 -0.126E-12 0.0000010046 -4.2612220008 0.21 <-- CONV - O_IOD= -4.2612220 O_D= 0.0000000 O_TOT= -4.2612220 <-- SPRD + 96 -0.126E-12 0.0000010046 1.6340875647 0.25 <-- CONV + O_IOD= 1.6340876 O_D= 0.0000000 O_TOT= 1.6340876 <-- SPRD Delta: O_IOD= 0.3189778E-07 O_D= 0.0000000E+00 O_TOT= -0.1261213E-12 <-- DLTA ------------------------------------------------------------------------------ Cycle: 97 @@ -1318,8 +1318,8 @@ Delta: O_IOD= 0.3189778E-07 O_D= 0.0000000E+00 O_TOT= -0.1261213E-12 <-- DLTA WF centre and spread 4 ( -1.074049, -1.239663, -1.239663 ) 2.74772655 Sum of centres and spreads ( -0.007625, 0.007625, 0.007625 ) 9.87726722 - 97 -0.604E-13 0.0000008568 -4.2612220008 0.21 <-- CONV - O_IOD= -4.2612220 O_D= 0.0000000 O_TOT= -4.2612220 <-- SPRD + 97 -0.604E-13 0.0000008568 1.6340875647 0.25 <-- CONV + O_IOD= 1.6340876 O_D= 0.0000000 O_TOT= 1.6340876 <-- SPRD Delta: O_IOD= 0.1477521E-07 O_D= 0.0000000E+00 O_TOT= -0.6039613E-13 <-- DLTA ------------------------------------------------------------------------------ Cycle: 98 @@ -1329,8 +1329,8 @@ Delta: O_IOD= 0.1477521E-07 O_D= 0.0000000E+00 O_TOT= -0.6039613E-13 <-- DLTA WF centre and spread 4 ( -1.074049, -1.239663, -1.239663 ) 2.74772655 Sum of centres and spreads ( -0.007625, 0.007625, 0.007625 ) 9.87726723 - 98 -0.968E-13 0.0000008014 -4.2612220008 0.21 <-- CONV - O_IOD= -4.2612220 O_D= 0.0000000 O_TOT= -4.2612220 <-- SPRD + 98 -0.968E-13 0.0000008014 1.6340875647 0.25 <-- CONV + O_IOD= 1.6340876 O_D= 0.0000000 O_TOT= 1.6340876 <-- SPRD Delta: O_IOD= 0.3028113E-07 O_D= 0.0000000E+00 O_TOT= -0.9681145E-13 <-- DLTA ------------------------------------------------------------------------------ Cycle: 99 @@ -1340,8 +1340,8 @@ Delta: O_IOD= 0.3028113E-07 O_D= 0.0000000E+00 O_TOT= -0.9681145E-13 <-- DLTA WF centre and spread 4 ( -1.074049, -1.239663, -1.239663 ) 2.74772656 Sum of centres and spreads ( -0.007625, 0.007625, 0.007625 ) 9.87726726 - 99 -0.266E-12 0.0000007066 -4.2612220008 0.22 <-- CONV - O_IOD= -4.2612220 O_D= 0.0000000 O_TOT= -4.2612220 <-- SPRD + 99 -0.266E-12 0.0000007066 1.6340875647 0.26 <-- CONV + O_IOD= 1.6340876 O_D= 0.0000000 O_TOT= 1.6340876 <-- SPRD Delta: O_IOD= 0.1928814E-06 O_D= 0.0000000E+00 O_TOT= -0.2664535E-12 <-- DLTA ------------------------------------------------------------------------------ Cycle: 100 @@ -1351,8 +1351,8 @@ Delta: O_IOD= 0.1928814E-06 O_D= 0.0000000E+00 O_TOT= -0.2664535E-12 <-- DLTA WF centre and spread 4 ( -1.074049, -1.239663, -1.239663 ) 2.74772657 Sum of centres and spreads ( -0.007625, 0.007625, 0.007625 ) 9.87726727 - 100 -0.338E-13 0.0000006422 -4.2612220008 0.22 <-- CONV - O_IOD= -4.2612220 O_D= 0.0000000 O_TOT= -4.2612220 <-- SPRD + 100 -0.338E-13 0.0000006422 1.6340875647 0.26 <-- CONV + O_IOD= 1.6340876 O_D= 0.0000000 O_TOT= 1.6340876 <-- SPRD Delta: O_IOD= 0.2932747E-07 O_D= 0.0000000E+00 O_TOT= -0.3375078E-13 <-- DLTA ------------------------------------------------------------------------------ @@ -1365,28 +1365,28 @@ Delta: O_IOD= 0.2932747E-07 O_D= 0.0000000E+00 O_TOT= -0.3375078E-13 <-- DLTA WF centre and spread 4 ( -1.074049, -1.239663, -1.239663 ) 2.74772657 Sum of centres and spreads ( -0.007625, 0.007625, 0.007625 ) 9.87726727 - Spreads (Ang^2) Omega IOD_C = -4.261222001 + Spreads (Ang^2) Omega IOD_C = 1.634087565 ================ Omega D = 0.000000000 - Omega Rest = 5.616045269 + Omega Rest = 11.511354835 Penalty func = 0.000000000 - Final Spread (Ang^2) Omega Total_C = -4.261222001 + Final Spread (Ang^2) Omega Total_C = 1.634087565 ------------------------------------------------------------------------------ - Time for wannierise 0.220 (sec) + Time for wannierise 0.260 (sec) Writing checkpoint file gaas.chk... done Time for plotting 0.000 (sec) - Total Execution Time 0.280 (sec) + Total Execution Time 0.328 (sec) *===========================================================================* | TIMING INFORMATION | *===========================================================================* | Tag Ncalls Time (s)| |---------------------------------------------------------------------------| - |kmesh: get : 1 0.040| + |kmesh: get : 1 0.044| |overlap: allocate : 1 0.000| - |overlap: read : 1 0.008| - |wann: main : 1 0.220| + |overlap: read : 1 0.012| + |wann: main : 1 0.260| |plot: main : 1 0.000| *---------------------------------------------------------------------------* diff --git a/test-suite/tests/userconfig b/test-suite/tests/userconfig index f564f77c2..bcb279122 100644 --- a/test-suite/tests/userconfig +++ b/test-suite/tests/userconfig @@ -21,6 +21,25 @@ tolerance = ( (1.0e-5, 1.0e-5, 'final_centres_x'), (1.0e-6, 1.0e-6, 'completeness_z'), (1.0e-6, 1.0e-6, 'completeness_weight')) +[WANNIER90_SLWFC_WOUT_OK] +exe = ../../wannier90.x +extract_fn = tools parsers.parse_wout.parse +tolerance = ( (1.0e-5, 1.0e-5, 'final_centres_x'), + (1.0e-5, 1.0e-5, 'final_centres_y'), + (1.0e-5, 1.0e-5, 'final_centres_z'), + (2.0e-6, 2.0e-6, 'final_spreads'), + (1.0e-6, 1.0e-6, 'omegaIOD_C'), + (1.0e-6, 5.0e-6, 'omegaD'), + (1.0e-6, 1.0e-6, 'omegaRest'), + (1.0e-6, 1.0e-6, 'penaltyfunc'), + (1.0e-6, 1.0e-6, 'omegaTotal_C'), + (1.0e-6, 1.0e-6, 'near_neigh_dist'), + (1.0e-6, 1.0e-6, 'near_neigh_mult'), + (1.0e-6, 1.0e-6, 'completeness_x'), + (1.0e-6, 1.0e-6, 'completeness_y'), + (1.0e-6, 1.0e-6, 'completeness_z'), + (1.0e-6, 1.0e-6, 'completeness_weight')) + [WANNIER90_LABELINFO] exe = ../../wannier90.x extract_fn = tools parsers.parse_labelinfo.parse diff --git a/test-suite/tools/parsers/parse_wout.py b/test-suite/tools/parsers/parse_wout.py index 6934e77ed..642240ac0 100644 --- a/test-suite/tools/parsers/parse_wout.py +++ b/test-suite/tools/parsers/parse_wout.py @@ -42,6 +42,11 @@ omegaD_re = re.compile("Omega\ D\s+=\s*([0-9\.-]+)\s*$") omegaOD_re = re.compile("Omega\ OD\s+=\s*([0-9\.-]+)\s*$") omegaTotal_re = re.compile("Omega\ Total\s+=\s*([0-9\.-]+)\s*$") +omegaIOD_re = re.compile("Omega\ IOD\s+=\s*([0-9\.-]+)\s*$") +omegaIOD_C_re = re.compile("Omega\ IOD_C\s+=\s*([0-9\.-]+)\s*$") +omegaRest_re = re.compile("Omega\ Rest\s+=\s*([0-9\.-]+)\s*$") +penaltyfunc_re = re.compile("Penalty\ func\s+=\s*([0-9\.-]+)\s*$") +omegaTotal_C_re = re.compile("Omega\ Total_C\s+=\s*([0-9\.-]+)\s*$") ## A comment on regexps: re.match only checks the beginning of the line, while ## re.search anywhere in the string (like perl) @@ -125,6 +130,26 @@ def parse(fname): if match: retdict["omegaTotal"].append(float(match.groups()[0])) continue + match = omegaIOD_re.search(l) + if match: + retdict["omegaIOD"].append(float(match.groups()[0])) + continue + match = omegaIOD_C_re.search(l) + if match: + retdict["omegaIOD_C"].append(float(match.groups()[0])) + continue + match = omegaRest_re.search(l) + if match: + retdict["omegaRest"].append(float(match.groups()[0])) + continue + match = penaltyfunc_re.search(l) + if match: + retdict["penaltyfunc"].append(float(match.groups()[0])) + continue + match = omegaTotal_C_re.search(l) + if match: + retdict["omegaTotal_C"].append(float(match.groups()[0])) + continue ############################################################### From c1c78e6aedc5051b00fc0ab41ca93fbfc01c3600 Mon Sep 17 00:00:00 2001 From: Valerio Vitale Date: Mon, 8 Oct 2018 18:39:10 +0100 Subject: [PATCH 2/6] Update parse_wout.py --- test-suite/tools/parsers/parse_wout.py | 1 - 1 file changed, 1 deletion(-) diff --git a/test-suite/tools/parsers/parse_wout.py b/test-suite/tools/parsers/parse_wout.py index 642240ac0..19dd6f799 100644 --- a/test-suite/tools/parsers/parse_wout.py +++ b/test-suite/tools/parsers/parse_wout.py @@ -42,7 +42,6 @@ omegaD_re = re.compile("Omega\ D\s+=\s*([0-9\.-]+)\s*$") omegaOD_re = re.compile("Omega\ OD\s+=\s*([0-9\.-]+)\s*$") omegaTotal_re = re.compile("Omega\ Total\s+=\s*([0-9\.-]+)\s*$") -omegaIOD_re = re.compile("Omega\ IOD\s+=\s*([0-9\.-]+)\s*$") omegaIOD_C_re = re.compile("Omega\ IOD_C\s+=\s*([0-9\.-]+)\s*$") omegaRest_re = re.compile("Omega\ Rest\s+=\s*([0-9\.-]+)\s*$") penaltyfunc_re = re.compile("Penalty\ func\s+=\s*([0-9\.-]+)\s*$") From 09a9fcda2c22544e7f68012b4b509caf7a3dc2c9 Mon Sep 17 00:00:00 2001 From: Valerio Vitale Date: Mon, 8 Oct 2018 21:14:25 +0100 Subject: [PATCH 3/6] Update parse_wout.py --- test-suite/tools/parsers/parse_wout.py | 4 ---- 1 file changed, 4 deletions(-) diff --git a/test-suite/tools/parsers/parse_wout.py b/test-suite/tools/parsers/parse_wout.py index 19dd6f799..025123ed8 100644 --- a/test-suite/tools/parsers/parse_wout.py +++ b/test-suite/tools/parsers/parse_wout.py @@ -129,10 +129,6 @@ def parse(fname): if match: retdict["omegaTotal"].append(float(match.groups()[0])) continue - match = omegaIOD_re.search(l) - if match: - retdict["omegaIOD"].append(float(match.groups()[0])) - continue match = omegaIOD_C_re.search(l) if match: retdict["omegaIOD_C"].append(float(match.groups()[0])) From 2edb6b12fd03be1c7af0b5a61564bd03a199d371 Mon Sep 17 00:00:00 2001 From: "Valerio Vitale (PDRA" Date: Wed, 10 Oct 2018 10:06:50 +0100 Subject: [PATCH 4/6] Update in userconfig --- test-suite/tests/userconfig | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/test-suite/tests/userconfig b/test-suite/tests/userconfig index bcb279122..3269aefdd 100644 --- a/test-suite/tests/userconfig +++ b/test-suite/tests/userconfig @@ -31,7 +31,7 @@ tolerance = ( (1.0e-5, 1.0e-5, 'final_centres_x'), (1.0e-6, 1.0e-6, 'omegaIOD_C'), (1.0e-6, 5.0e-6, 'omegaD'), (1.0e-6, 1.0e-6, 'omegaRest'), - (1.0e-6, 1.0e-6, 'penaltyfunc'), + (1.0e-5, 1.0e-5, 'penaltyfunc'), (1.0e-6, 1.0e-6, 'omegaTotal_C'), (1.0e-6, 1.0e-6, 'near_neigh_dist'), (1.0e-6, 1.0e-6, 'near_neigh_mult'), From fb8d665839ee9ed74147e570db92499da63e1093 Mon Sep 17 00:00:00 2001 From: "Valerio Vitale (PDRA" Date: Wed, 10 Oct 2018 10:32:36 +0100 Subject: [PATCH 5/6] Update benchmark.out.default.inp=gaas.win --- .../benchmark.out.default.inp=gaas.win | 214 +++++++++--------- 1 file changed, 107 insertions(+), 107 deletions(-) diff --git a/test-suite/tests/testw90_example26/benchmark.out.default.inp=gaas.win b/test-suite/tests/testw90_example26/benchmark.out.default.inp=gaas.win index c70383c54..1bf519222 100644 --- a/test-suite/tests/testw90_example26/benchmark.out.default.inp=gaas.win +++ b/test-suite/tests/testw90_example26/benchmark.out.default.inp=gaas.win @@ -90,7 +90,7 @@ | 675 Mass Ave, Cambridge, MA 02139, USA. | | | +---------------------------------------------------+ - | Execution started on 8Oct2018 at 10:35:55 | + | Execution started on 10Oct2018 at 10:32:13 | +---------------------------------------------------+ ****************************************************************************** @@ -165,7 +165,7 @@ | Use constrains in selective localization : T | | Value of the Lagrange multiplier : 0.100E+01 | *----------------------------------------------------------------------------* - Time to read parameters 0.012 (sec) + Time to read parameters 0.008 (sec) *---------------------------------- K-MESH ----------------------------------* +----------------------------------------------------------------------------+ @@ -218,7 +218,7 @@ | 4 -0.277938 0.277938 0.277938 | +----------------------------------------------------------------------------+ - Time to get kmesh 0.044 (sec) + Time to get kmesh 0.028 (sec) *============================================================================* | MEMORY ESTIMATE | | Maximum RAM allocated during each phase of the calculation | @@ -234,7 +234,7 @@ Reading projections from gaas.amn : Created on 21Jun2018 at 13:28:41 - Time to read overlaps 0.012 (sec) + Time to read overlaps 0.008 (sec) Writing checkpoint file gaas.chk... done @@ -273,7 +273,7 @@ Delta: O_IOD= -0.1245020E+00 O_D= 0.0000000E+00 O_TOT= -0.8835502E-01 <-- DLTA WF centre and spread 4 ( -0.873612, -0.857940, -0.857940 ) 1.93405438 Sum of centres and spreads ( -0.003873, 0.003873, 0.003873 ) 7.41230271 - 2 -0.678E-01 0.1671857056 2.5737982390 0.01 <-- CONV + 2 -0.678E-01 0.1671857056 2.5737982390 0.00 <-- CONV O_IOD= 2.5737982 O_D= 0.0000000 O_TOT= 2.5737982 <-- SPRD Delta: O_IOD= -0.1281685E+00 O_D= 0.0000000E+00 O_TOT= -0.6781943E-01 <-- DLTA ------------------------------------------------------------------------------ @@ -295,7 +295,7 @@ Delta: O_IOD= -0.2566031E-01 O_D= 0.0000000E+00 O_TOT= -0.1228649E+00 <-- DLTA WF centre and spread 4 ( -0.960377, -0.981515, -0.981515 ) 2.57718759 Sum of centres and spreads ( -0.014646, 0.014646, 0.014646 ) 9.56008072 - 4 -0.153E+00 0.2801589721 2.2980243966 0.02 <-- CONV + 4 -0.153E+00 0.2801589721 2.2980243966 0.01 <-- CONV O_IOD= 2.2980244 O_D= 0.0000000 O_TOT= 2.2980244 <-- SPRD Delta: O_IOD= 0.1200872E+01 O_D= 0.0000000E+00 O_TOT= -0.1529089E+00 <-- DLTA ------------------------------------------------------------------------------ @@ -306,7 +306,7 @@ Delta: O_IOD= 0.1200872E+01 O_D= 0.0000000E+00 O_TOT= -0.1529089E+00 <-- DLTA WF centre and spread 4 ( -0.963799, -0.992342, -0.992342 ) 2.54839612 Sum of centres and spreads ( -0.017032, 0.017032, 0.017032 ) 9.32644621 - 5 -0.195E+00 0.5498266615 2.1031008190 0.02 <-- CONV + 5 -0.195E+00 0.5498266615 2.1031008190 0.01 <-- CONV O_IOD= 2.1031008 O_D= 0.0000000 O_TOT= 2.1031008 <-- SPRD Delta: O_IOD= -0.2013825E-01 O_D= 0.0000000E+00 O_TOT= -0.1949236E+00 <-- DLTA ------------------------------------------------------------------------------ @@ -317,7 +317,7 @@ Delta: O_IOD= -0.2013825E-01 O_D= 0.0000000E+00 O_TOT= -0.1949236E+00 <-- DLTA WF centre and spread 4 ( -0.975165, -1.020977, -1.020977 ) 2.49639070 Sum of centres and spreads ( -0.025265, 0.025265, 0.025265 ) 9.09332163 - 6 -0.190E+00 0.3356017036 1.9129812790 0.02 <-- CONV + 6 -0.190E+00 0.3356017036 1.9129812790 0.01 <-- CONV O_IOD= 1.9129813 O_D= 0.0000000 O_TOT= 1.9129813 <-- SPRD Delta: O_IOD= 0.2688227E+00 O_D= 0.0000000E+00 O_TOT= -0.1901195E+00 <-- DLTA ------------------------------------------------------------------------------ @@ -328,7 +328,7 @@ Delta: O_IOD= 0.2688227E+00 O_D= 0.0000000E+00 O_TOT= -0.1901195E+00 <-- DLTA WF centre and spread 4 ( -0.984768, -1.038775, -1.038775 ) 2.50000837 Sum of centres and spreads ( -0.030959, 0.030959, 0.030959 ) 9.06803923 - 7 -0.941E-01 0.2980315124 1.8188577748 0.03 <-- CONV + 7 -0.941E-01 0.2980315124 1.8188577748 0.02 <-- CONV O_IOD= 1.8188578 O_D= 0.0000000 O_TOT= 1.8188578 <-- SPRD Delta: O_IOD= 0.1744998E+00 O_D= 0.0000000E+00 O_TOT= -0.9412350E-01 <-- DLTA ------------------------------------------------------------------------------ @@ -339,7 +339,7 @@ Delta: O_IOD= 0.1744998E+00 O_D= 0.0000000E+00 O_TOT= -0.9412350E-01 <-- DLTA WF centre and spread 4 ( -0.994405, -1.059085, -1.059085 ) 2.53164875 Sum of centres and spreads ( -0.031791, 0.031791, 0.031791 ) 9.17406752 - 8 -0.411E-01 0.1520753890 1.7778042929 0.03 <-- CONV + 8 -0.411E-01 0.1520753890 1.7778042929 0.02 <-- CONV O_IOD= 1.7778043 O_D= 0.0000000 O_TOT= 1.7778043 <-- SPRD Delta: O_IOD= 0.2286508E+00 O_D= 0.0000000E+00 O_TOT= -0.4105348E-01 <-- DLTA ------------------------------------------------------------------------------ @@ -350,7 +350,7 @@ Delta: O_IOD= 0.2286508E+00 O_D= 0.0000000E+00 O_TOT= -0.4105348E-01 <-- DLTA WF centre and spread 4 ( -1.043767, -1.175111, -1.175111 ) 2.69232536 Sum of centres and spreads ( -0.017984, 0.017984, 0.017984 ) 9.74419007 - 9 -0.871E-01 0.1060210897 1.6906913973 0.03 <-- CONV + 9 -0.871E-01 0.1060210897 1.6906913973 0.02 <-- CONV O_IOD= 1.6906914 O_D= 0.0000000 O_TOT= 1.6906914 <-- SPRD Delta: O_IOD= 0.1344586E+01 O_D= 0.0000000E+00 O_TOT= -0.8711290E-01 <-- DLTA ------------------------------------------------------------------------------ @@ -361,7 +361,7 @@ Delta: O_IOD= 0.1344586E+01 O_D= 0.0000000E+00 O_TOT= -0.8711290E-01 <-- DLTA WF centre and spread 4 ( -1.044371, -1.176695, -1.176695 ) 2.69011513 Sum of centres and spreads ( -0.017719, 0.017719, 0.017719 ) 9.70829766 - 10 -0.305E-01 0.2234038701 1.6602260180 0.04 <-- CONV + 10 -0.305E-01 0.2234038701 1.6602260180 0.02 <-- CONV O_IOD= 1.6602260 O_D= 0.0000000 O_TOT= 1.6602260 <-- SPRD Delta: O_IOD= -0.1098783E-01 O_D= 0.0000000E+00 O_TOT= -0.3046538E-01 <-- DLTA ------------------------------------------------------------------------------ @@ -372,7 +372,7 @@ Delta: O_IOD= -0.1098783E-01 O_D= 0.0000000E+00 O_TOT= -0.3046538E-01 <-- DLTA WF centre and spread 4 ( -1.045559, -1.179760, -1.179760 ) 2.69229989 Sum of centres and spreads ( -0.017213, 0.017213, 0.017213 ) 9.70809356 - 11 -0.899E-02 0.0978846889 1.6512328823 0.04 <-- CONV + 11 -0.899E-02 0.0978846889 1.6512328823 0.03 <-- CONV O_IOD= 1.6512329 O_D= 0.0000000 O_TOT= 1.6512329 <-- SPRD Delta: O_IOD= 0.2861978E-01 O_D= 0.0000000E+00 O_TOT= -0.8993136E-02 <-- DLTA ------------------------------------------------------------------------------ @@ -383,7 +383,7 @@ Delta: O_IOD= 0.2861978E-01 O_D= 0.0000000E+00 O_TOT= -0.8993136E-02 <-- DLTA WF centre and spread 4 ( -1.047461, -1.184466, -1.184466 ) 2.69769629 Sum of centres and spreads ( -0.016358, 0.016358, 0.016358 ) 9.72291432 - 12 -0.450E-02 0.0612392753 1.6467339897 0.04 <-- CONV + 12 -0.450E-02 0.0612392753 1.6467339897 0.03 <-- CONV O_IOD= 1.6467340 O_D= 0.0000000 O_TOT= 1.6467340 <-- SPRD Delta: O_IOD= 0.5191597E-01 O_D= 0.0000000E+00 O_TOT= -0.4498893E-02 <-- DLTA ------------------------------------------------------------------------------ @@ -394,7 +394,7 @@ Delta: O_IOD= 0.5191597E-01 O_D= 0.0000000E+00 O_TOT= -0.4498893E-02 <-- DLTA WF centre and spread 4 ( -1.050676, -1.191958, -1.191958 ) 2.70585700 Sum of centres and spreads ( -0.015009, 0.015009, 0.015009 ) 9.74900500 - 13 -0.276E-02 0.0382407472 1.6439744466 0.05 <-- CONV + 13 -0.276E-02 0.0382407472 1.6439744466 0.03 <-- CONV O_IOD= 1.6439744 O_D= 0.0000000 O_TOT= 1.6439744 <-- SPRD Delta: O_IOD= 0.8557839E-01 O_D= 0.0000000E+00 O_TOT= -0.2759543E-02 <-- DLTA ------------------------------------------------------------------------------ @@ -405,7 +405,7 @@ Delta: O_IOD= 0.8557839E-01 O_D= 0.0000000E+00 O_TOT= -0.2759543E-02 <-- DLTA WF centre and spread 4 ( -1.053527, -1.198371, -1.198371 ) 2.71257938 Sum of centres and spreads ( -0.013937, 0.013937, 0.013937 ) 9.77057601 - 14 -0.181E-02 0.0498463302 1.6421624571 0.05 <-- CONV + 14 -0.181E-02 0.0498463302 1.6421624571 0.03 <-- CONV O_IOD= 1.6421625 O_D= 0.0000000 O_TOT= 1.6421625 <-- SPRD Delta: O_IOD= 0.7366148E-01 O_D= 0.0000000E+00 O_TOT= -0.1811989E-02 <-- DLTA ------------------------------------------------------------------------------ @@ -416,7 +416,7 @@ Delta: O_IOD= 0.7366148E-01 O_D= 0.0000000E+00 O_TOT= -0.1811989E-02 <-- DLTA WF centre and spread 4 ( -1.060562, -1.213422, -1.213422 ) 2.72681810 Sum of centres and spreads ( -0.011624, 0.011624, 0.011624 ) 9.81565431 - 15 -0.329E-02 0.0410669648 1.6388742965 0.05 <-- CONV + 15 -0.329E-02 0.0410669648 1.6388742965 0.03 <-- CONV O_IOD= 1.6388743 O_D= 0.0000000 O_TOT= 1.6388743 <-- SPRD Delta: O_IOD= 0.1726574E+00 O_D= 0.0000000E+00 O_TOT= -0.3288161E-02 <-- DLTA ------------------------------------------------------------------------------ @@ -427,7 +427,7 @@ Delta: O_IOD= 0.1726574E+00 O_D= 0.0000000E+00 O_TOT= -0.3288161E-02 <-- DLTA WF centre and spread 4 ( -1.061287, -1.214664, -1.214664 ) 2.72726326 Sum of centres and spreads ( -0.011536, 0.011536, 0.011536 ) 9.81566081 - 16 -0.167E-02 0.0378217072 1.6372030885 0.06 <-- CONV + 16 -0.167E-02 0.0378217072 1.6372030885 0.04 <-- CONV O_IOD= 1.6372031 O_D= 0.0000000 O_TOT= 1.6372031 <-- SPRD Delta: O_IOD= 0.1248324E-01 O_D= 0.0000000E+00 O_TOT= -0.1671208E-02 <-- DLTA ------------------------------------------------------------------------------ @@ -438,7 +438,7 @@ Delta: O_IOD= 0.1248324E-01 O_D= 0.0000000E+00 O_TOT= -0.1671208E-02 <-- DLTA WF centre and spread 4 ( -1.062178, -1.216234, -1.216234 ) 2.72830898 Sum of centres and spreads ( -0.011363, 0.011363, 0.011363 ) 9.81851785 - 17 -0.682E-03 0.0257563530 1.6365206626 0.06 <-- CONV + 17 -0.682E-03 0.0257563530 1.6365206626 0.04 <-- CONV O_IOD= 1.6365207 O_D= 0.0000000 O_TOT= 1.6365207 <-- SPRD Delta: O_IOD= 0.1692091E-01 O_D= 0.0000000E+00 O_TOT= -0.6824259E-03 <-- DLTA ------------------------------------------------------------------------------ @@ -449,7 +449,7 @@ Delta: O_IOD= 0.1692091E-01 O_D= 0.0000000E+00 O_TOT= -0.6824259E-03 <-- DLTA WF centre and spread 4 ( -1.063227, -1.218126, -1.218126 ) 2.72976295 Sum of centres and spreads ( -0.011109, 0.011109, 0.011109 ) 9.82282791 - 18 -0.499E-03 0.0256925310 1.6360219325 0.06 <-- CONV + 18 -0.499E-03 0.0256925310 1.6360219325 0.04 <-- CONV O_IOD= 1.6360219 O_D= 0.0000000 O_TOT= 1.6360219 <-- SPRD Delta: O_IOD= 0.2054256E-01 O_D= 0.0000000E+00 O_TOT= -0.4987302E-03 <-- DLTA ------------------------------------------------------------------------------ @@ -460,7 +460,7 @@ Delta: O_IOD= 0.2054256E-01 O_D= 0.0000000E+00 O_TOT= -0.4987302E-03 <-- DLTA WF centre and spread 4 ( -1.064879, -1.221245, -1.221245 ) 2.73236549 Sum of centres and spreads ( -0.010604, 0.010604, 0.010604 ) 9.83086968 - 19 -0.420E-03 0.0159619925 1.6356017711 0.07 <-- CONV + 19 -0.420E-03 0.0159619925 1.6356017711 0.04 <-- CONV O_IOD= 1.6356018 O_D= 0.0000000 O_TOT= 1.6356018 <-- SPRD Delta: O_IOD= 0.3416644E-01 O_D= 0.0000000E+00 O_TOT= -0.4201614E-03 <-- DLTA ------------------------------------------------------------------------------ @@ -471,7 +471,7 @@ Delta: O_IOD= 0.3416644E-01 O_D= 0.0000000E+00 O_TOT= -0.4201614E-03 <-- DLTA WF centre and spread 4 ( -1.067014, -1.225363, -1.225363 ) 2.73590591 Sum of centres and spreads ( -0.009909, 0.009909, 0.009909 ) 9.84177544 - 20 -0.429E-03 0.0191516438 1.6351731715 0.07 <-- CONV + 20 -0.429E-03 0.0191516438 1.6351731715 0.05 <-- CONV O_IOD= 1.6351732 O_D= 0.0000000 O_TOT= 1.6351732 <-- SPRD Delta: O_IOD= 0.4539868E-01 O_D= 0.0000000E+00 O_TOT= -0.4285996E-03 <-- DLTA ------------------------------------------------------------------------------ @@ -482,7 +482,7 @@ Delta: O_IOD= 0.4539868E-01 O_D= 0.0000000E+00 O_TOT= -0.4285996E-03 <-- DLTA WF centre and spread 4 ( -1.069967, -1.231245, -1.231245 ) 2.74094291 Sum of centres and spreads ( -0.008936, 0.008936, 0.008936 ) 9.85712447 - 21 -0.485E-03 0.0158734032 1.6346886372 0.07 <-- CONV + 21 -0.485E-03 0.0158734032 1.6346886372 0.05 <-- CONV O_IOD= 1.6346886 O_D= 0.0000000 O_TOT= 1.6346886 <-- SPRD Delta: O_IOD= 0.6596622E-01 O_D= 0.0000000E+00 O_TOT= -0.4845343E-03 <-- DLTA ------------------------------------------------------------------------------ @@ -493,7 +493,7 @@ Delta: O_IOD= 0.6596622E-01 O_D= 0.0000000E+00 O_TOT= -0.4845343E-03 <-- DLTA WF centre and spread 4 ( -1.070084, -1.231570, -1.231570 ) 2.74117796 Sum of centres and spreads ( -0.008905, 0.008905, 0.008905 ) 9.85762303 - 22 -0.240E-03 0.0168737302 1.6344483857 0.08 <-- CONV + 22 -0.240E-03 0.0168737302 1.6344483857 0.05 <-- CONV O_IOD= 1.6344484 O_D= 0.0000000 O_TOT= 1.6344484 <-- SPRD Delta: O_IOD= 0.4010710E-02 O_D= 0.0000000E+00 O_TOT= -0.2402514E-03 <-- DLTA ------------------------------------------------------------------------------ @@ -504,7 +504,7 @@ Delta: O_IOD= 0.4010710E-02 O_D= 0.0000000E+00 O_TOT= -0.2402514E-03 <-- DLTA WF centre and spread 4 ( -1.070329, -1.232200, -1.232200 ) 2.74169775 Sum of centres and spreads ( -0.008831, 0.008831, 0.008831 ) 9.85913589 - 23 -0.106E-03 0.0089114494 1.6343426574 0.08 <-- CONV + 23 -0.106E-03 0.0089114494 1.6343426574 0.05 <-- CONV O_IOD= 1.6343427 O_D= 0.0000000 O_TOT= 1.6343427 <-- SPRD Delta: O_IOD= 0.7884370E-02 O_D= 0.0000000E+00 O_TOT= -0.1057284E-03 <-- DLTA ------------------------------------------------------------------------------ @@ -515,7 +515,7 @@ Delta: O_IOD= 0.7884370E-02 O_D= 0.0000000E+00 O_TOT= -0.1057284E-03 <-- DLTA WF centre and spread 4 ( -1.070588, -1.232821, -1.232821 ) 2.74221633 Sum of centres and spreads ( -0.008747, 0.008747, 0.008747 ) 9.86068690 - 24 -0.563E-04 0.0080644935 1.6342864069 0.08 <-- CONV + 24 -0.563E-04 0.0080644935 1.6342864069 0.06 <-- CONV O_IOD= 1.6342864 O_D= 0.0000000 O_TOT= 1.6342864 <-- SPRD Delta: O_IOD= 0.7564354E-02 O_D= 0.0000000E+00 O_TOT= -0.5625050E-04 <-- DLTA ------------------------------------------------------------------------------ @@ -526,7 +526,7 @@ Delta: O_IOD= 0.7564354E-02 O_D= 0.0000000E+00 O_TOT= -0.5625050E-04 <-- DLTA WF centre and spread 4 ( -1.070958, -1.233643, -1.233643 ) 2.74289264 Sum of centres and spreads ( -0.008620, 0.008620, 0.008620 ) 9.86273307 - 25 -0.414E-04 0.0058076222 1.6342450141 0.09 <-- CONV + 25 -0.414E-04 0.0058076222 1.6342450141 0.06 <-- CONV O_IOD= 1.6342450 O_D= 0.0000000 O_TOT= 1.6342450 <-- SPRD Delta: O_IOD= 0.9670158E-02 O_D= 0.0000000E+00 O_TOT= -0.4139280E-04 <-- DLTA ------------------------------------------------------------------------------ @@ -537,7 +537,7 @@ Delta: O_IOD= 0.9670158E-02 O_D= 0.0000000E+00 O_TOT= -0.4139280E-04 <-- DLTA WF centre and spread 4 ( -1.071370, -1.234513, -1.234513 ) 2.74360627 Sum of centres and spreads ( -0.008479, 0.008479, 0.008479 ) 9.86489302 - 26 -0.334E-04 0.0064161021 1.6342115941 0.09 <-- CONV + 26 -0.334E-04 0.0064161021 1.6342115941 0.06 <-- CONV O_IOD= 1.6342116 O_D= 0.0000000 O_TOT= 1.6342116 <-- SPRD Delta: O_IOD= 0.1004336E-01 O_D= 0.0000000E+00 O_TOT= -0.3341997E-04 <-- DLTA ------------------------------------------------------------------------------ @@ -548,7 +548,7 @@ Delta: O_IOD= 0.1004336E-01 O_D= 0.0000000E+00 O_TOT= -0.3341997E-04 <-- DLTA WF centre and spread 4 ( -1.072098, -1.235956, -1.235956 ) 2.74477468 Sum of centres and spreads ( -0.008237, 0.008237, 0.008237 ) 9.86842568 - 27 -0.394E-04 0.0044672910 1.6341722341 0.09 <-- CONV + 27 -0.394E-04 0.0044672910 1.6341722341 0.06 <-- CONV O_IOD= 1.6341722 O_D= 0.0000000 O_TOT= 1.6341722 <-- SPRD Delta: O_IOD= 0.1620242E-01 O_D= 0.0000000E+00 O_TOT= -0.3935995E-04 <-- DLTA ------------------------------------------------------------------------------ @@ -559,7 +559,7 @@ Delta: O_IOD= 0.1620242E-01 O_D= 0.0000000E+00 O_TOT= -0.3935995E-04 <-- DLTA WF centre and spread 4 ( -1.072204, -1.236129, -1.236129 ) 2.74491092 Sum of centres and spreads ( -0.008210, 0.008210, 0.008210 ) 9.86881514 - 28 -0.253E-04 0.0046380201 1.6341469619 0.09 <-- CONV + 28 -0.253E-04 0.0046380201 1.6341469619 0.07 <-- CONV O_IOD= 1.6341470 O_D= 0.0000000 O_TOT= 1.6341470 <-- SPRD Delta: O_IOD= 0.1767421E-02 O_D= 0.0000000E+00 O_TOT= -0.2527228E-04 <-- DLTA ------------------------------------------------------------------------------ @@ -570,7 +570,7 @@ Delta: O_IOD= 0.1767421E-02 O_D= 0.0000000E+00 O_TOT= -0.2527228E-04 <-- DLTA WF centre and spread 4 ( -1.072376, -1.236416, -1.236416 ) 2.74514166 Sum of centres and spreads ( -0.008160, 0.008160, 0.008160 ) 9.86950341 - 29 -0.134E-04 0.0031408320 1.6341335167 0.10 <-- CONV + 29 -0.134E-04 0.0031408320 1.6341335167 0.07 <-- CONV O_IOD= 1.6341335 O_D= 0.0000000 O_TOT= 1.6341335 <-- SPRD Delta: O_IOD= 0.2987082E-02 O_D= 0.0000000E+00 O_TOT= -0.1344516E-04 <-- DLTA ------------------------------------------------------------------------------ @@ -581,7 +581,7 @@ Delta: O_IOD= 0.2987082E-02 O_D= 0.0000000E+00 O_TOT= -0.1344516E-04 <-- DLTA WF centre and spread 4 ( -1.072546, -1.236711, -1.236711 ) 2.74537828 Sum of centres and spreads ( -0.008108, 0.008108, 0.008108 ) 9.87021340 - 30 -0.889E-05 0.0034073736 1.6341246315 0.10 <-- CONV + 30 -0.889E-05 0.0034073736 1.6341246315 0.07 <-- CONV O_IOD= 1.6341246 O_D= 0.0000000 O_TOT= 1.6341246 <-- SPRD Delta: O_IOD= 0.3095543E-02 O_D= 0.0000000E+00 O_TOT= -0.8885235E-05 <-- DLTA ------------------------------------------------------------------------------ @@ -592,7 +592,7 @@ Delta: O_IOD= 0.3095543E-02 O_D= 0.0000000E+00 O_TOT= -0.8885235E-05 <-- DLTA WF centre and spread 4 ( -1.072800, -1.237171, -1.237171 ) 2.74574618 Sum of centres and spreads ( -0.008027, 0.008027, 0.008027 ) 9.87132114 - 31 -0.869E-05 0.0025283435 1.6341159435 0.10 <-- CONV + 31 -0.869E-05 0.0025283435 1.6341159435 0.07 <-- CONV O_IOD= 1.6341159 O_D= 0.0000000 O_TOT= 1.6341159 <-- SPRD Delta: O_IOD= 0.4955544E-02 O_D= 0.0000000E+00 O_TOT= -0.8687961E-05 <-- DLTA ------------------------------------------------------------------------------ @@ -603,7 +603,7 @@ Delta: O_IOD= 0.4955544E-02 O_D= 0.0000000E+00 O_TOT= -0.8687961E-05 <-- DLTA WF centre and spread 4 ( -1.073077, -1.237694, -1.237694 ) 2.74616274 Sum of centres and spreads ( -0.007937, 0.007937, 0.007937 ) 9.87257536 - 32 -0.767E-05 0.0026880866 1.6341082718 0.11 <-- CONV + 32 -0.767E-05 0.0026880866 1.6341082718 0.08 <-- CONV O_IOD= 1.6341083 O_D= 0.0000000 O_TOT= 1.6341083 <-- SPRD Delta: O_IOD= 0.5749021E-02 O_D= 0.0000000E+00 O_TOT= -0.7671734E-05 <-- DLTA ------------------------------------------------------------------------------ @@ -614,7 +614,7 @@ Delta: O_IOD= 0.5749021E-02 O_D= 0.0000000E+00 O_TOT= -0.7671734E-05 <-- DLTA WF centre and spread 4 ( -1.073442, -1.238420, -1.238420 ) 2.74673767 Sum of centres and spreads ( -0.007819, 0.007819, 0.007819 ) 9.87430455 - 33 -0.823E-05 0.0021091311 1.6341000398 0.11 <-- CONV + 33 -0.823E-05 0.0021091311 1.6341000398 0.08 <-- CONV O_IOD= 1.6341000 O_D= 0.0000000 O_TOT= 1.6341000 <-- SPRD Delta: O_IOD= 0.8215327E-02 O_D= 0.0000000E+00 O_TOT= -0.8231913E-05 <-- DLTA ------------------------------------------------------------------------------ @@ -625,7 +625,7 @@ Delta: O_IOD= 0.8215327E-02 O_D= 0.0000000E+00 O_TOT= -0.8231913E-05 <-- DLTA WF centre and spread 4 ( -1.073460, -1.238470, -1.238470 ) 2.74677753 Sum of centres and spreads ( -0.007814, 0.007814, 0.007814 ) 9.87442016 - 34 -0.473E-05 0.0023247768 1.6340953138 0.11 <-- CONV + 34 -0.473E-05 0.0023247768 1.6340953138 0.08 <-- CONV O_IOD= 1.6340953 O_D= 0.0000000 O_TOT= 1.6340953 <-- SPRD Delta: O_IOD= 0.6424021E-03 O_D= 0.0000000E+00 O_TOT= -0.4726022E-05 <-- DLTA ------------------------------------------------------------------------------ @@ -636,7 +636,7 @@ Delta: O_IOD= 0.6424021E-03 O_D= 0.0000000E+00 O_TOT= -0.4726022E-05 <-- DLTA WF centre and spread 4 ( -1.073498, -1.238565, -1.238565 ) 2.74685295 Sum of centres and spreads ( -0.007803, 0.007803, 0.007803 ) 9.87464546 - 35 -0.223E-05 0.0013085926 1.6340930820 0.11 <-- CONV + 35 -0.223E-05 0.0013085926 1.6340930820 0.08 <-- CONV O_IOD= 1.6340931 O_D= 0.0000000 O_TOT= 1.6340931 <-- SPRD Delta: O_IOD= 0.1184051E-02 O_D= 0.0000000E+00 O_TOT= -0.2231852E-05 <-- DLTA ------------------------------------------------------------------------------ @@ -647,7 +647,7 @@ Delta: O_IOD= 0.1184051E-02 O_D= 0.0000000E+00 O_TOT= -0.2231852E-05 <-- DLTA WF centre and spread 4 ( -1.073538, -1.238659, -1.238659 ) 2.74692820 Sum of centres and spreads ( -0.007790, 0.007790, 0.007790 ) 9.87487115 - 36 -0.122E-05 0.0011779533 1.6340918639 0.12 <-- CONV + 36 -0.122E-05 0.0011779533 1.6340918639 0.09 <-- CONV O_IOD= 1.6340919 O_D= 0.0000000 O_TOT= 1.6340919 <-- SPRD Delta: O_IOD= 0.1149025E-02 O_D= 0.0000000E+00 O_TOT= -0.1218068E-05 <-- DLTA ------------------------------------------------------------------------------ @@ -658,7 +658,7 @@ Delta: O_IOD= 0.1149025E-02 O_D= 0.0000000E+00 O_TOT= -0.1218068E-05 <-- DLTA WF centre and spread 4 ( -1.073593, -1.238779, -1.238779 ) 2.74702401 Sum of centres and spreads ( -0.007772, 0.007772, 0.007772 ) 9.87515894 - 37 -0.890E-06 0.0008687017 1.6340909744 0.12 <-- CONV + 37 -0.890E-06 0.0008687017 1.6340909744 0.09 <-- CONV O_IOD= 1.6340910 O_D= 0.0000000 O_TOT= 1.6340910 <-- SPRD Delta: O_IOD= 0.1413211E-02 O_D= 0.0000000E+00 O_TOT= -0.8895056E-06 <-- DLTA ------------------------------------------------------------------------------ @@ -669,7 +669,7 @@ Delta: O_IOD= 0.1413211E-02 O_D= 0.0000000E+00 O_TOT= -0.8895056E-06 <-- DLTA WF centre and spread 4 ( -1.073655, -1.238910, -1.238910 ) 2.74712814 Sum of centres and spreads ( -0.007750, 0.007750, 0.007750 ) 9.87547173 - 38 -0.736E-06 0.0009387090 1.6340902386 0.12 <-- CONV + 38 -0.736E-06 0.0009387090 1.6340902386 0.09 <-- CONV O_IOD= 1.6340902 O_D= 0.0000000 O_TOT= 1.6340902 <-- SPRD Delta: O_IOD= 0.1502805E-02 O_D= 0.0000000E+00 O_TOT= -0.7358379E-06 <-- DLTA ------------------------------------------------------------------------------ @@ -680,7 +680,7 @@ Delta: O_IOD= 0.1502805E-02 O_D= 0.0000000E+00 O_TOT= -0.7358379E-06 <-- DLTA WF centre and spread 4 ( -1.073760, -1.239116, -1.239116 ) 2.74729283 Sum of centres and spreads ( -0.007715, 0.007715, 0.007715 ) 9.87596637 - 39 -0.827E-06 0.0006523276 1.6340894120 0.13 <-- CONV + 39 -0.827E-06 0.0006523276 1.6340894120 0.09 <-- CONV O_IOD= 1.6340894 O_D= 0.0000000 O_TOT= 1.6340894 <-- SPRD Delta: O_IOD= 0.2306685E-02 O_D= 0.0000000E+00 O_TOT= -0.8265814E-06 <-- DLTA ------------------------------------------------------------------------------ @@ -691,7 +691,7 @@ Delta: O_IOD= 0.2306685E-02 O_D= 0.0000000E+00 O_TOT= -0.8265814E-06 <-- DLTA WF centre and spread 4 ( -1.073776, -1.239141, -1.239141 ) 2.74731319 Sum of centres and spreads ( -0.007711, 0.007711, 0.007711 ) 9.87602704 - 40 -0.545E-06 0.0006831915 1.6340888675 0.13 <-- CONV + 40 -0.545E-06 0.0006831915 1.6340888675 0.09 <-- CONV O_IOD= 1.6340889 O_D= 0.0000000 O_TOT= 1.6340889 <-- SPRD Delta: O_IOD= 0.2589150E-03 O_D= 0.0000000E+00 O_TOT= -0.5445182E-06 <-- DLTA ------------------------------------------------------------------------------ @@ -702,7 +702,7 @@ Delta: O_IOD= 0.2589150E-03 O_D= 0.0000000E+00 O_TOT= -0.5445182E-06 <-- DLTA WF centre and spread 4 ( -1.073802, -1.239184, -1.239184 ) 2.74734774 Sum of centres and spreads ( -0.007704, 0.007704, 0.007704 ) 9.87613060 - 41 -0.299E-06 0.0004618901 1.6340885689 0.13 <-- CONV + 41 -0.299E-06 0.0004618901 1.6340885689 0.10 <-- CONV O_IOD= 1.6340886 O_D= 0.0000000 O_TOT= 1.6340886 <-- SPRD Delta: O_IOD= 0.4503352E-03 O_D= 0.0000000E+00 O_TOT= -0.2985360E-06 <-- DLTA ------------------------------------------------------------------------------ @@ -713,7 +713,7 @@ Delta: O_IOD= 0.4503352E-03 O_D= 0.0000000E+00 O_TOT= -0.2985360E-06 <-- DLTA WF centre and spread 4 ( -1.073827, -1.239228, -1.239228 ) 2.74738222 Sum of centres and spreads ( -0.007696, 0.007696, 0.007696 ) 9.87623404 - 42 -0.194E-06 0.0005039629 1.6340883749 0.13 <-- CONV + 42 -0.194E-06 0.0005039629 1.6340883749 0.10 <-- CONV O_IOD= 1.6340884 O_D= 0.0000000 O_TOT= 1.6340884 <-- SPRD Delta: O_IOD= 0.4583020E-03 O_D= 0.0000000E+00 O_TOT= -0.1940366E-06 <-- DLTA ------------------------------------------------------------------------------ @@ -724,7 +724,7 @@ Delta: O_IOD= 0.4583020E-03 O_D= 0.0000000E+00 O_TOT= -0.1940366E-06 <-- DLTA WF centre and spread 4 ( -1.073865, -1.239296, -1.239296 ) 2.74743565 Sum of centres and spreads ( -0.007684, 0.007684, 0.007684 ) 9.87639441 - 43 -0.190E-06 0.0003751976 1.6340881851 0.14 <-- CONV + 43 -0.190E-06 0.0003751976 1.6340881851 0.10 <-- CONV O_IOD= 1.6340882 O_D= 0.0000000 O_TOT= 1.6340882 <-- SPRD Delta: O_IOD= 0.7317855E-03 O_D= 0.0000000E+00 O_TOT= -0.1897428E-06 <-- DLTA ------------------------------------------------------------------------------ @@ -735,7 +735,7 @@ Delta: O_IOD= 0.7317855E-03 O_D= 0.0000000E+00 O_TOT= -0.1897428E-06 <-- DLTA WF centre and spread 4 ( -1.073906, -1.239373, -1.239373 ) 2.74749630 Sum of centres and spreads ( -0.007671, 0.007671, 0.007671 ) 9.87657646 - 44 -0.168E-06 0.0003997502 1.6340880169 0.14 <-- CONV + 44 -0.168E-06 0.0003997502 1.6340880169 0.10 <-- CONV O_IOD= 1.6340880 O_D= 0.0000000 O_TOT= 1.6340880 <-- SPRD Delta: O_IOD= 0.8502952E-03 O_D= 0.0000000E+00 O_TOT= -0.1682107E-06 <-- DLTA ------------------------------------------------------------------------------ @@ -746,7 +746,7 @@ Delta: O_IOD= 0.8502952E-03 O_D= 0.0000000E+00 O_TOT= -0.1682107E-06 <-- DLTA WF centre and spread 4 ( -1.073959, -1.239479, -1.239479 ) 2.74757955 Sum of centres and spreads ( -0.007654, 0.007654, 0.007654 ) 9.87682630 - 45 -0.178E-06 0.0003098052 1.6340878393 0.14 <-- CONV + 45 -0.178E-06 0.0003098052 1.6340878393 0.11 <-- CONV O_IOD= 1.6340878 O_D= 0.0000000 O_TOT= 1.6340878 <-- SPRD Delta: O_IOD= 0.1200789E-02 O_D= 0.0000000E+00 O_TOT= -0.1776661E-06 <-- DLTA ------------------------------------------------------------------------------ @@ -757,7 +757,7 @@ Delta: O_IOD= 0.1200789E-02 O_D= 0.0000000E+00 O_TOT= -0.1776661E-06 <-- DLTA WF centre and spread 4 ( -1.073962, -1.239487, -1.239487 ) 2.74758572 Sum of centres and spreads ( -0.007653, 0.007653, 0.007653 ) 9.87684474 - 46 -0.103E-06 0.0003445510 1.6340877360 0.14 <-- CONV + 46 -0.103E-06 0.0003445510 1.6340877360 0.11 <-- CONV O_IOD= 1.6340877 O_D= 0.0000000 O_TOT= 1.6340877 <-- SPRD Delta: O_IOD= 0.9528601E-04 O_D= 0.0000000E+00 O_TOT= -0.1032837E-06 <-- DLTA ------------------------------------------------------------------------------ @@ -768,7 +768,7 @@ Delta: O_IOD= 0.9528601E-04 O_D= 0.0000000E+00 O_TOT= -0.1032837E-06 <-- DLTA WF centre and spread 4 ( -1.073968, -1.239501, -1.239501 ) 2.74759734 Sum of centres and spreads ( -0.007651, 0.007651, 0.007651 ) 9.87687958 - 47 -0.493E-07 0.0001932426 1.6340876867 0.15 <-- CONV + 47 -0.493E-07 0.0001932426 1.6340876867 0.11 <-- CONV O_IOD= 1.6340877 O_D= 0.0000000 O_TOT= 1.6340877 <-- SPRD Delta: O_IOD= 0.1777563E-03 O_D= 0.0000000E+00 O_TOT= -0.4930518E-07 <-- DLTA ------------------------------------------------------------------------------ @@ -779,7 +779,7 @@ Delta: O_IOD= 0.1777563E-03 O_D= 0.0000000E+00 O_TOT= -0.4930518E-07 <-- DLTA WF centre and spread 4 ( -1.073974, -1.239515, -1.239515 ) 2.74760873 Sum of centres and spreads ( -0.007649, 0.007649, 0.007649 ) 9.87691375 - 48 -0.270E-07 0.0001760238 1.6340876597 0.15 <-- CONV + 48 -0.270E-07 0.0001760238 1.6340876597 0.11 <-- CONV O_IOD= 1.6340877 O_D= 0.0000000 O_TOT= 1.6340877 <-- SPRD Delta: O_IOD= 0.1708809E-03 O_D= 0.0000000E+00 O_TOT= -0.2696390E-07 <-- DLTA ------------------------------------------------------------------------------ @@ -790,7 +790,7 @@ Delta: O_IOD= 0.1708809E-03 O_D= 0.0000000E+00 O_TOT= -0.2696390E-07 <-- DLTA WF centre and spread 4 ( -1.073982, -1.239533, -1.239533 ) 2.74762307 Sum of centres and spreads ( -0.007646, 0.007646, 0.007646 ) 9.87695678 - 49 -0.195E-07 0.0001290570 1.6340876402 0.15 <-- CONV + 49 -0.195E-07 0.0001290570 1.6340876402 0.11 <-- CONV O_IOD= 1.6340876 O_D= 0.0000000 O_TOT= 1.6340876 <-- SPRD Delta: O_IOD= 0.2091638E-03 O_D= 0.0000000E+00 O_TOT= -0.1954492E-07 <-- DLTA ------------------------------------------------------------------------------ @@ -801,7 +801,7 @@ Delta: O_IOD= 0.2091638E-03 O_D= 0.0000000E+00 O_TOT= -0.1954492E-07 <-- DLTA WF centre and spread 4 ( -1.073991, -1.239553, -1.239553 ) 2.74763892 Sum of centres and spreads ( -0.007643, 0.007643, 0.007643 ) 9.87700431 - 50 -0.165E-07 0.0001400524 1.6340876236 0.15 <-- CONV + 50 -0.165E-07 0.0001400524 1.6340876236 0.12 <-- CONV O_IOD= 1.6340876 O_D= 0.0000000 O_TOT= 1.6340876 <-- SPRD Delta: O_IOD= 0.2272741E-03 O_D= 0.0000000E+00 O_TOT= -0.1652332E-07 <-- DLTA ------------------------------------------------------------------------------ @@ -812,7 +812,7 @@ Delta: O_IOD= 0.2272741E-03 O_D= 0.0000000E+00 O_TOT= -0.1652332E-07 <-- DLTA WF centre and spread 4 ( -1.074007, -1.239583, -1.239583 ) 2.74766305 Sum of centres and spreads ( -0.007638, 0.007638, 0.007638 ) 9.87707674 - 51 -0.180E-07 0.0000965462 1.6340876056 0.16 <-- CONV + 51 -0.180E-07 0.0000965462 1.6340876056 0.12 <-- CONV O_IOD= 1.6340876 O_D= 0.0000000 O_TOT= 1.6340876 <-- SPRD Delta: O_IOD= 0.3383346E-03 O_D= 0.0000000E+00 O_TOT= -0.1802621E-07 <-- DLTA ------------------------------------------------------------------------------ @@ -823,7 +823,7 @@ Delta: O_IOD= 0.3383346E-03 O_D= 0.0000000E+00 O_TOT= -0.1802621E-07 <-- DLTA WF centre and spread 4 ( -1.074009, -1.239586, -1.239586 ) 2.74766599 Sum of centres and spreads ( -0.007637, 0.007637, 0.007637 ) 9.87708554 - 52 -0.120E-07 0.0001016481 1.6340875936 0.16 <-- CONV + 52 -0.120E-07 0.0001016481 1.6340875936 0.12 <-- CONV O_IOD= 1.6340876 O_D= 0.0000000 O_TOT= 1.6340876 <-- SPRD Delta: O_IOD= 0.3841849E-04 O_D= 0.0000000E+00 O_TOT= -0.1204532E-07 <-- DLTA ------------------------------------------------------------------------------ @@ -834,7 +834,7 @@ Delta: O_IOD= 0.3841849E-04 O_D= 0.0000000E+00 O_TOT= -0.1204532E-07 <-- DLTA WF centre and spread 4 ( -1.074013, -1.239594, -1.239594 ) 2.74767153 Sum of centres and spreads ( -0.007636, 0.007636, 0.007636 ) 9.87710215 - 53 -0.713E-08 0.0000673563 1.6340875864 0.16 <-- CONV + 53 -0.713E-08 0.0000673563 1.6340875864 0.12 <-- CONV O_IOD= 1.6340876 O_D= 0.0000000 O_TOT= 1.6340876 <-- SPRD Delta: O_IOD= 0.7413891E-04 O_D= 0.0000000E+00 O_TOT= -0.7133281E-08 <-- DLTA ------------------------------------------------------------------------------ @@ -845,7 +845,7 @@ Delta: O_IOD= 0.7413891E-04 O_D= 0.0000000E+00 O_TOT= -0.7133281E-08 <-- DLTA WF centre and spread 4 ( -1.074017, -1.239600, -1.239600 ) 2.74767635 Sum of centres and spreads ( -0.007635, 0.007635, 0.007635 ) 9.87711662 - 54 -0.399E-08 0.0000722270 1.6340875825 0.16 <-- CONV + 54 -0.399E-08 0.0000722270 1.6340875825 0.13 <-- CONV O_IOD= 1.6340876 O_D= 0.0000000 O_TOT= 1.6340876 <-- SPRD Delta: O_IOD= 0.6571111E-04 O_D= 0.0000000E+00 O_TOT= -0.3986289E-08 <-- DLTA ------------------------------------------------------------------------------ @@ -856,7 +856,7 @@ Delta: O_IOD= 0.6571111E-04 O_D= 0.0000000E+00 O_TOT= -0.3986289E-08 <-- DLTA WF centre and spread 4 ( -1.074023, -1.239610, -1.239610 ) 2.74768428 Sum of centres and spreads ( -0.007633, 0.007633, 0.007633 ) 9.87714040 - 55 -0.420E-08 0.0000561357 1.6340875783 0.17 <-- CONV + 55 -0.420E-08 0.0000561357 1.6340875783 0.13 <-- CONV O_IOD= 1.6340876 O_D= 0.0000000 O_TOT= 1.6340876 <-- SPRD Delta: O_IOD= 0.1102055E-03 O_D= 0.0000000E+00 O_TOT= -0.4203685E-08 <-- DLTA ------------------------------------------------------------------------------ @@ -867,7 +867,7 @@ Delta: O_IOD= 0.1102055E-03 O_D= 0.0000000E+00 O_TOT= -0.4203685E-08 <-- DLTA WF centre and spread 4 ( -1.074029, -1.239621, -1.239621 ) 2.74769297 Sum of centres and spreads ( -0.007631, 0.007631, 0.007631 ) 9.87716647 - 56 -0.356E-08 0.0000593107 1.6340875747 0.17 <-- CONV + 56 -0.356E-08 0.0000593107 1.6340875747 0.13 <-- CONV O_IOD= 1.6340876 O_D= 0.0000000 O_TOT= 1.6340876 <-- SPRD Delta: O_IOD= 0.1229362E-03 O_D= 0.0000000E+00 O_TOT= -0.3561147E-08 <-- DLTA ------------------------------------------------------------------------------ @@ -878,7 +878,7 @@ Delta: O_IOD= 0.1229362E-03 O_D= 0.0000000E+00 O_TOT= -0.3561147E-08 <-- DLTA WF centre and spread 4 ( -1.074037, -1.239637, -1.239637 ) 2.74770536 Sum of centres and spreads ( -0.007629, 0.007629, 0.007629 ) 9.87720365 - 57 -0.386E-08 0.0000465055 1.6340875708 0.17 <-- CONV + 57 -0.386E-08 0.0000465055 1.6340875708 0.13 <-- CONV O_IOD= 1.6340876 O_D= 0.0000000 O_TOT= 1.6340876 <-- SPRD Delta: O_IOD= 0.1786505E-03 O_D= 0.0000000E+00 O_TOT= -0.3856843E-08 <-- DLTA ------------------------------------------------------------------------------ @@ -889,7 +889,7 @@ Delta: O_IOD= 0.1786505E-03 O_D= 0.0000000E+00 O_TOT= -0.3856843E-08 <-- DLTA WF centre and spread 4 ( -1.074037, -1.239638, -1.239638 ) 2.74770633 Sum of centres and spreads ( -0.007629, 0.007629, 0.007629 ) 9.87720655 - 58 -0.231E-08 0.0000520492 1.6340875685 0.17 <-- CONV + 58 -0.231E-08 0.0000520492 1.6340875685 0.14 <-- CONV O_IOD= 1.6340876 O_D= 0.0000000 O_TOT= 1.6340876 <-- SPRD Delta: O_IOD= 0.1430566E-04 O_D= 0.0000000E+00 O_TOT= -0.2312696E-08 <-- DLTA ------------------------------------------------------------------------------ @@ -900,7 +900,7 @@ Delta: O_IOD= 0.1430566E-04 O_D= 0.0000000E+00 O_TOT= -0.2312696E-08 <-- DLTA WF centre and spread 4 ( -1.074038, -1.239640, -1.239640 ) 2.74770816 Sum of centres and spreads ( -0.007628, 0.007628, 0.007628 ) 9.87721205 - 59 -0.109E-08 0.0000300639 1.6340875674 0.18 <-- CONV + 59 -0.109E-08 0.0000300639 1.6340875674 0.14 <-- CONV O_IOD= 1.6340876 O_D= 0.0000000 O_TOT= 1.6340876 <-- SPRD Delta: O_IOD= 0.2713517E-04 O_D= 0.0000000E+00 O_TOT= -0.1085227E-08 <-- DLTA ------------------------------------------------------------------------------ @@ -911,7 +911,7 @@ Delta: O_IOD= 0.2713517E-04 O_D= 0.0000000E+00 O_TOT= -0.1085227E-08 <-- DLTA WF centre and spread 4 ( -1.074039, -1.239642, -1.239642 ) 2.74770987 Sum of centres and spreads ( -0.007628, 0.007628, 0.007628 ) 9.87721719 - 60 -0.612E-09 0.0000282529 1.6340875668 0.18 <-- CONV + 60 -0.612E-09 0.0000282529 1.6340875668 0.14 <-- CONV O_IOD= 1.6340876 O_D= 0.0000000 O_TOT= 1.6340876 <-- SPRD Delta: O_IOD= 0.2503864E-04 O_D= 0.0000000E+00 O_TOT= -0.6115775E-09 <-- DLTA ------------------------------------------------------------------------------ @@ -922,7 +922,7 @@ Delta: O_IOD= 0.2503864E-04 O_D= 0.0000000E+00 O_TOT= -0.6115775E-09 <-- DLTA WF centre and spread 4 ( -1.074040, -1.239645, -1.239645 ) 2.74771198 Sum of centres and spreads ( -0.007628, 0.007628, 0.007628 ) 9.87722350 - 61 -0.427E-09 0.0000191253 1.6340875664 0.18 <-- CONV + 61 -0.427E-09 0.0000191253 1.6340875664 0.14 <-- CONV O_IOD= 1.6340876 O_D= 0.0000000 O_TOT= 1.6340876 <-- SPRD Delta: O_IOD= 0.3005636E-04 O_D= 0.0000000E+00 O_TOT= -0.4274572E-09 <-- DLTA ------------------------------------------------------------------------------ @@ -933,7 +933,7 @@ Delta: O_IOD= 0.3005636E-04 O_D= 0.0000000E+00 O_TOT= -0.4274572E-09 <-- DLTA WF centre and spread 4 ( -1.074041, -1.239648, -1.239648 ) 2.74771436 Sum of centres and spreads ( -0.007627, 0.007627, 0.007627 ) 9.87723066 - 62 -0.366E-09 0.0000219439 1.6340875660 0.18 <-- CONV + 62 -0.366E-09 0.0000219439 1.6340875660 0.14 <-- CONV O_IOD= 1.6340876 O_D= 0.0000000 O_TOT= 1.6340876 <-- SPRD Delta: O_IOD= 0.3384293E-04 O_D= 0.0000000E+00 O_TOT= -0.3663185E-09 <-- DLTA ------------------------------------------------------------------------------ @@ -944,7 +944,7 @@ Delta: O_IOD= 0.3384293E-04 O_D= 0.0000000E+00 O_TOT= -0.3663185E-09 <-- DLTA WF centre and spread 4 ( -1.074043, -1.239651, -1.239651 ) 2.74771724 Sum of centres and spreads ( -0.007627, 0.007627, 0.007627 ) 9.87723929 - 63 -0.368E-09 0.0000147242 1.6340875657 0.19 <-- CONV + 63 -0.368E-09 0.0000147242 1.6340875657 0.15 <-- CONV O_IOD= 1.6340876 O_D= 0.0000000 O_TOT= 1.6340876 <-- SPRD Delta: O_IOD= 0.4024997E-04 O_D= 0.0000000E+00 O_TOT= -0.3681757E-09 <-- DLTA ------------------------------------------------------------------------------ @@ -955,7 +955,7 @@ Delta: O_IOD= 0.4024997E-04 O_D= 0.0000000E+00 O_TOT= -0.3681757E-09 <-- DLTA WF centre and spread 4 ( -1.074044, -1.239652, -1.239652 ) 2.74771767 Sum of centres and spreads ( -0.007627, 0.007627, 0.007627 ) 9.87724057 - 64 -0.213E-09 0.0000141537 1.6340875654 0.19 <-- CONV + 64 -0.213E-09 0.0000141537 1.6340875654 0.15 <-- CONV O_IOD= 1.6340876 O_D= 0.0000000 O_TOT= 1.6340876 <-- SPRD Delta: O_IOD= 0.5851895E-05 O_D= 0.0000000E+00 O_TOT= -0.2132614E-09 <-- DLTA ------------------------------------------------------------------------------ @@ -966,7 +966,7 @@ Delta: O_IOD= 0.5851895E-05 O_D= 0.0000000E+00 O_TOT= -0.2132614E-09 <-- DLTA WF centre and spread 4 ( -1.074044, -1.239653, -1.239653 ) 2.74771811 Sum of centres and spreads ( -0.007626, 0.007626, 0.007626 ) 9.87724189 - 65 -0.125E-09 0.0000120735 1.6340875653 0.19 <-- CONV + 65 -0.125E-09 0.0000120735 1.6340875653 0.15 <-- CONV O_IOD= 1.6340876 O_D= 0.0000000 O_TOT= 1.6340876 <-- SPRD Delta: O_IOD= 0.6047795E-05 O_D= 0.0000000E+00 O_TOT= -0.1253193E-09 <-- DLTA ------------------------------------------------------------------------------ @@ -977,7 +977,7 @@ Delta: O_IOD= 0.6047795E-05 O_D= 0.0000000E+00 O_TOT= -0.1253193E-09 <-- DLTA WF centre and spread 4 ( -1.074044, -1.239654, -1.239654 ) 2.74771887 Sum of centres and spreads ( -0.007626, 0.007626, 0.007626 ) 9.87724419 - 66 -0.114E-09 0.0000084289 1.6340875652 0.19 <-- CONV + 66 -0.114E-09 0.0000084289 1.6340875652 0.15 <-- CONV O_IOD= 1.6340876 O_D= 0.0000000 O_TOT= 1.6340876 <-- SPRD Delta: O_IOD= 0.1069747E-04 O_D= 0.0000000E+00 O_TOT= -0.1138272E-09 <-- DLTA ------------------------------------------------------------------------------ @@ -988,7 +988,7 @@ Delta: O_IOD= 0.1069747E-04 O_D= 0.0000000E+00 O_TOT= -0.1138272E-09 <-- DLTA WF centre and spread 4 ( -1.074045, -1.239655, -1.239655 ) 2.74771996 Sum of centres and spreads ( -0.007626, 0.007626, 0.007626 ) 9.87724745 - 67 -0.977E-10 0.0000087316 1.6340875651 0.19 <-- CONV + 67 -0.977E-10 0.0000087316 1.6340875651 0.16 <-- CONV O_IOD= 1.6340876 O_D= 0.0000000 O_TOT= 1.6340876 <-- SPRD Delta: O_IOD= 0.1520760E-04 O_D= 0.0000000E+00 O_TOT= -0.9772716E-10 <-- DLTA ------------------------------------------------------------------------------ @@ -999,7 +999,7 @@ Delta: O_IOD= 0.1520760E-04 O_D= 0.0000000E+00 O_TOT= -0.9772716E-10 <-- DLTA WF centre and spread 4 ( -1.074047, -1.239658, -1.239658 ) 2.74772248 Sum of centres and spreads ( -0.007626, 0.007626, 0.007626 ) 9.87725502 - 68 -0.817E-10 0.0000084706 1.6340875650 0.20 <-- CONV + 68 -0.817E-10 0.0000084706 1.6340875650 0.16 <-- CONV O_IOD= 1.6340876 O_D= 0.0000000 O_TOT= 1.6340876 <-- SPRD Delta: O_IOD= 0.3566854E-04 O_D= 0.0000000E+00 O_TOT= -0.8174084E-10 <-- DLTA ------------------------------------------------------------------------------ @@ -1010,7 +1010,7 @@ Delta: O_IOD= 0.3566854E-04 O_D= 0.0000000E+00 O_TOT= -0.8174084E-10 <-- DLTA WF centre and spread 4 ( -1.074048, -1.239660, -1.239660 ) 2.74772363 Sum of centres and spreads ( -0.007625, 0.007625, 0.007625 ) 9.87725847 - 69 -0.218E-10 0.0000132779 1.6340875650 0.20 <-- CONV + 69 -0.218E-10 0.0000132779 1.6340875650 0.16 <-- CONV O_IOD= 1.6340876 O_D= 0.0000000 O_TOT= 1.6340876 <-- SPRD Delta: O_IOD= 0.1632202E-04 O_D= 0.0000000E+00 O_TOT= -0.2175504E-10 <-- DLTA ------------------------------------------------------------------------------ @@ -1021,7 +1021,7 @@ Delta: O_IOD= 0.1632202E-04 O_D= 0.0000000E+00 O_TOT= -0.2175504E-10 <-- DLTA WF centre and spread 4 ( -1.074048, -1.239660, -1.239660 ) 2.74772378 Sum of centres and spreads ( -0.007625, 0.007625, 0.007625 ) 9.87725891 - 70 -0.100E-09 0.0000118350 1.6340875649 0.20 <-- CONV + 70 -0.100E-09 0.0000118350 1.6340875649 0.16 <-- CONV O_IOD= 1.6340876 O_D= 0.0000000 O_TOT= 1.6340876 <-- SPRD Delta: O_IOD= 0.2246586E-05 O_D= 0.0000000E+00 O_TOT= -0.1004867E-09 <-- DLTA ------------------------------------------------------------------------------ @@ -1032,7 +1032,7 @@ Delta: O_IOD= 0.2246586E-05 O_D= 0.0000000E+00 O_TOT= -0.1004867E-09 <-- DLTA WF centre and spread 4 ( -1.074048, -1.239661, -1.239661 ) 2.74772434 Sum of centres and spreads ( -0.007625, 0.007625, 0.007625 ) 9.87726059 - 71 0.322E-10 0.0000078288 1.6340875649 0.20 <-- CONV + 71 0.322E-10 0.0000078288 1.6340875649 0.16 <-- CONV O_IOD= 1.6340876 O_D= 0.0000000 O_TOT= 1.6340876 <-- SPRD Delta: O_IOD= 0.8484169E-05 O_D= 0.0000000E+00 O_TOT= 0.3218048E-10 <-- DLTA ------------------------------------------------------------------------------ @@ -1043,7 +1043,7 @@ Delta: O_IOD= 0.8484169E-05 O_D= 0.0000000E+00 O_TOT= 0.3218048E-10 <-- DLTA WF centre and spread 4 ( -1.074048, -1.239661, -1.239661 ) 2.74772439 Sum of centres and spreads ( -0.007625, 0.007625, 0.007625 ) 9.87726074 - 72 -0.135E-09 0.0000196478 1.6340875648 0.21 <-- CONV + 72 -0.135E-09 0.0000196478 1.6340875648 0.17 <-- CONV O_IOD= 1.6340876 O_D= 0.0000000 O_TOT= 1.6340876 <-- SPRD Delta: O_IOD= 0.6513689E-06 O_D= 0.0000000E+00 O_TOT= -0.1347775E-09 <-- DLTA ------------------------------------------------------------------------------ @@ -1054,7 +1054,7 @@ Delta: O_IOD= 0.6513689E-06 O_D= 0.0000000E+00 O_TOT= -0.1347775E-09 <-- DLTA WF centre and spread 4 ( -1.074048, -1.239661, -1.239661 ) 2.74772439 Sum of centres and spreads ( -0.007625, 0.007625, 0.007625 ) 9.87726075 - 73 -0.940E-12 0.0000049041 1.6340875648 0.21 <-- CONV + 73 -0.940E-12 0.0000049041 1.6340875648 0.17 <-- CONV O_IOD= 1.6340876 O_D= 0.0000000 O_TOT= 1.6340876 <-- SPRD Delta: O_IOD= 0.3775866E-07 O_D= 0.0000000E+00 O_TOT= -0.9396928E-12 <-- DLTA ------------------------------------------------------------------------------ @@ -1065,7 +1065,7 @@ Delta: O_IOD= 0.3775866E-07 O_D= 0.0000000E+00 O_TOT= -0.9396928E-12 <-- DLTA WF centre and spread 4 ( -1.074048, -1.239661, -1.239661 ) 2.74772448 Sum of centres and spreads ( -0.007625, 0.007625, 0.007625 ) 9.87726102 - 74 -0.152E-10 0.0000047658 1.6340875648 0.21 <-- CONV + 74 -0.152E-10 0.0000047658 1.6340875648 0.17 <-- CONV O_IOD= 1.6340876 O_D= 0.0000000 O_TOT= 1.6340876 <-- SPRD Delta: O_IOD= 0.1225962E-05 O_D= 0.0000000E+00 O_TOT= -0.1517630E-10 <-- DLTA ------------------------------------------------------------------------------ @@ -1076,7 +1076,7 @@ Delta: O_IOD= 0.1225962E-05 O_D= 0.0000000E+00 O_TOT= -0.1517630E-10 <-- DLTA WF centre and spread 4 ( -1.074048, -1.239661, -1.239661 ) 2.74772449 Sum of centres and spreads ( -0.007625, 0.007625, 0.007625 ) 9.87726103 - 75 -0.236E-12 0.0000022754 1.6340875648 0.21 <-- CONV + 75 -0.236E-12 0.0000022754 1.6340875648 0.17 <-- CONV O_IOD= 1.6340876 O_D= 0.0000000 O_TOT= 1.6340876 <-- SPRD Delta: O_IOD= 0.5043563E-07 O_D= 0.0000000E+00 O_TOT= -0.2362555E-12 <-- DLTA ------------------------------------------------------------------------------ @@ -1087,7 +1087,7 @@ Delta: O_IOD= 0.5043563E-07 O_D= 0.0000000E+00 O_TOT= -0.2362555E-12 <-- DLTA WF centre and spread 4 ( -1.074048, -1.239661, -1.239661 ) 2.74772453 Sum of centres and spreads ( -0.007625, 0.007625, 0.007625 ) 9.87726116 - 76 -0.255E-11 0.0000022498 1.6340875648 0.21 <-- CONV + 76 -0.255E-11 0.0000022498 1.6340875648 0.17 <-- CONV O_IOD= 1.6340876 O_D= 0.0000000 O_TOT= 1.6340876 <-- SPRD Delta: O_IOD= 0.6320912E-06 O_D= 0.0000000E+00 O_TOT= -0.2548184E-11 <-- DLTA ------------------------------------------------------------------------------ @@ -1098,7 +1098,7 @@ Delta: O_IOD= 0.6320912E-06 O_D= 0.0000000E+00 O_TOT= -0.2548184E-11 <-- DLTA WF centre and spread 4 ( -1.074048, -1.239661, -1.239661 ) 2.74772472 Sum of centres and spreads ( -0.007625, 0.007625, 0.007625 ) 9.87726174 - 77 -0.476E-11 0.0000017887 1.6340875648 0.21 <-- CONV + 77 -0.476E-11 0.0000017887 1.6340875648 0.18 <-- CONV O_IOD= 1.6340876 O_D= 0.0000000 O_TOT= 1.6340876 <-- SPRD Delta: O_IOD= 0.2673856E-05 O_D= 0.0000000E+00 O_TOT= -0.4761525E-11 <-- DLTA ------------------------------------------------------------------------------ @@ -1109,7 +1109,7 @@ Delta: O_IOD= 0.2673856E-05 O_D= 0.0000000E+00 O_TOT= -0.4761525E-11 <-- DLTA WF centre and spread 4 ( -1.074048, -1.239661, -1.239661 ) 2.74772477 Sum of centres and spreads ( -0.007625, 0.007625, 0.007625 ) 9.87726188 - 78 -0.373E-11 0.0000030110 1.6340875648 0.22 <-- CONV + 78 -0.373E-11 0.0000030110 1.6340875648 0.18 <-- CONV O_IOD= 1.6340876 O_D= 0.0000000 O_TOT= 1.6340876 <-- SPRD Delta: O_IOD= 0.6623385E-06 O_D= 0.0000000E+00 O_TOT= -0.3732126E-11 <-- DLTA ------------------------------------------------------------------------------ @@ -1120,7 +1120,7 @@ Delta: O_IOD= 0.6623385E-06 O_D= 0.0000000E+00 O_TOT= -0.3732126E-11 <-- DLTA WF centre and spread 4 ( -1.074048, -1.239661, -1.239661 ) 2.74772478 Sum of centres and spreads ( -0.007625, 0.007625, 0.007625 ) 9.87726191 - 79 -0.282E-12 0.0000015914 1.6340875648 0.22 <-- CONV + 79 -0.282E-12 0.0000015914 1.6340875648 0.18 <-- CONV O_IOD= 1.6340876 O_D= 0.0000000 O_TOT= 1.6340876 <-- SPRD Delta: O_IOD= 0.1140620E-06 O_D= 0.0000000E+00 O_TOT= -0.2824407E-12 <-- DLTA ------------------------------------------------------------------------------ @@ -1131,7 +1131,7 @@ Delta: O_IOD= 0.1140620E-06 O_D= 0.0000000E+00 O_TOT= -0.2824407E-12 <-- DLTA WF centre and spread 4 ( -1.074048, -1.239661, -1.239661 ) 2.74772480 Sum of centres and spreads ( -0.007625, 0.007625, 0.007625 ) 9.87726197 - 80 -0.794E-12 0.0000015679 1.6340875648 0.22 <-- CONV + 80 -0.794E-12 0.0000015679 1.6340875648 0.18 <-- CONV O_IOD= 1.6340876 O_D= 0.0000000 O_TOT= 1.6340876 <-- SPRD Delta: O_IOD= 0.3026783E-06 O_D= 0.0000000E+00 O_TOT= -0.7940315E-12 <-- DLTA ------------------------------------------------------------------------------ @@ -1142,7 +1142,7 @@ Delta: O_IOD= 0.3026783E-06 O_D= 0.0000000E+00 O_TOT= -0.7940315E-12 <-- DLTA WF centre and spread 4 ( -1.074048, -1.239661, -1.239661 ) 2.74772485 Sum of centres and spreads ( -0.007625, 0.007625, 0.007625 ) 9.87726212 - 81 -0.161E-11 0.0000014284 1.6340875648 0.22 <-- CONV + 81 -0.161E-11 0.0000014284 1.6340875648 0.18 <-- CONV O_IOD= 1.6340876 O_D= 0.0000000 O_TOT= 1.6340876 <-- SPRD Delta: O_IOD= 0.6883841E-06 O_D= 0.0000000E+00 O_TOT= -0.1614708E-11 <-- DLTA ------------------------------------------------------------------------------ @@ -1153,7 +1153,7 @@ Delta: O_IOD= 0.6883841E-06 O_D= 0.0000000E+00 O_TOT= -0.1614708E-11 <-- DLTA WF centre and spread 4 ( -1.074048, -1.239661, -1.239661 ) 2.74772488 Sum of centres and spreads ( -0.007625, 0.007625, 0.007625 ) 9.87726222 - 82 -0.958E-12 0.0000012826 1.6340875648 0.23 <-- CONV + 82 -0.958E-12 0.0000012826 1.6340875648 0.19 <-- CONV O_IOD= 1.6340876 O_D= 0.0000000 O_TOT= 1.6340876 <-- SPRD Delta: O_IOD= 0.4774233E-06 O_D= 0.0000000E+00 O_TOT= -0.9583445E-12 <-- DLTA ------------------------------------------------------------------------------ @@ -1164,7 +1164,7 @@ Delta: O_IOD= 0.4774233E-06 O_D= 0.0000000E+00 O_TOT= -0.9583445E-12 <-- DLTA WF centre and spread 4 ( -1.074048, -1.239661, -1.239661 ) 2.74772489 Sum of centres and spreads ( -0.007625, 0.007625, 0.007625 ) 9.87726225 - 83 -0.279E-12 0.0000013175 1.6340875648 0.23 <-- CONV + 83 -0.279E-12 0.0000013175 1.6340875648 0.19 <-- CONV O_IOD= 1.6340876 O_D= 0.0000000 O_TOT= 1.6340876 <-- SPRD Delta: O_IOD= 0.1339451E-06 O_D= 0.0000000E+00 O_TOT= -0.2788880E-12 <-- DLTA ------------------------------------------------------------------------------ @@ -1175,7 +1175,7 @@ Delta: O_IOD= 0.1339451E-06 O_D= 0.0000000E+00 O_TOT= -0.2788880E-12 <-- DLTA WF centre and spread 4 ( -1.074048, -1.239661, -1.239661 ) 2.74772490 Sum of centres and spreads ( -0.007625, 0.007625, 0.007625 ) 9.87726226 - 84 -0.817E-13 0.0000013245 1.6340875648 0.23 <-- CONV + 84 -0.817E-13 0.0000013245 1.6340875648 0.19 <-- CONV O_IOD= 1.6340876 O_D= 0.0000000 O_TOT= 1.6340876 <-- SPRD Delta: O_IOD= 0.2888911E-07 O_D= 0.0000000E+00 O_TOT= -0.8171241E-13 <-- DLTA ------------------------------------------------------------------------------ @@ -1186,7 +1186,7 @@ Delta: O_IOD= 0.2888911E-07 O_D= 0.0000000E+00 O_TOT= -0.8171241E-13 <-- DLTA WF centre and spread 4 ( -1.074048, -1.239661, -1.239661 ) 2.74772491 Sum of centres and spreads ( -0.007625, 0.007625, 0.007625 ) 9.87726231 - 85 -0.552E-12 0.0000013145 1.6340875648 0.23 <-- CONV + 85 -0.552E-12 0.0000013145 1.6340875648 0.19 <-- CONV O_IOD= 1.6340876 O_D= 0.0000000 O_TOT= 1.6340876 <-- SPRD Delta: O_IOD= 0.2423213E-06 O_D= 0.0000000E+00 O_TOT= -0.5524470E-12 <-- DLTA ------------------------------------------------------------------------------ @@ -1197,7 +1197,7 @@ Delta: O_IOD= 0.2423213E-06 O_D= 0.0000000E+00 O_TOT= -0.5524470E-12 <-- DLTA WF centre and spread 4 ( -1.074048, -1.239661, -1.239661 ) 2.74772493 Sum of centres and spreads ( -0.007625, 0.007625, 0.007625 ) 9.87726236 - 86 -0.439E-12 0.0000012525 1.6340875648 0.23 <-- CONV + 86 -0.439E-12 0.0000012525 1.6340875648 0.19 <-- CONV O_IOD= 1.6340876 O_D= 0.0000000 O_TOT= 1.6340876 <-- SPRD Delta: O_IOD= 0.2210345E-06 O_D= 0.0000000E+00 O_TOT= -0.4387601E-12 <-- DLTA ------------------------------------------------------------------------------ @@ -1208,7 +1208,7 @@ Delta: O_IOD= 0.2210345E-06 O_D= 0.0000000E+00 O_TOT= -0.4387601E-12 <-- DLTA WF centre and spread 4 ( -1.074048, -1.239661, -1.239661 ) 2.74772494 Sum of centres and spreads ( -0.007625, 0.007625, 0.007625 ) 9.87726238 - 87 -0.241E-12 0.0000012288 1.6340875648 0.23 <-- CONV + 87 -0.241E-12 0.0000012288 1.6340875648 0.20 <-- CONV O_IOD= 1.6340876 O_D= 0.0000000 O_TOT= 1.6340876 <-- SPRD Delta: O_IOD= 0.1061185E-06 O_D= 0.0000000E+00 O_TOT= -0.2406964E-12 <-- DLTA ------------------------------------------------------------------------------ @@ -1219,7 +1219,7 @@ Delta: O_IOD= 0.1061185E-06 O_D= 0.0000000E+00 O_TOT= -0.2406964E-12 <-- DLTA WF centre and spread 4 ( -1.074048, -1.239661, -1.239661 ) 2.74772497 Sum of centres and spreads ( -0.007625, 0.007625, 0.007625 ) 9.87726247 - 88 -0.760E-12 0.0000012245 1.6340875648 0.24 <-- CONV + 88 -0.760E-12 0.0000012245 1.6340875648 0.20 <-- CONV O_IOD= 1.6340876 O_D= 0.0000000 O_TOT= 1.6340876 <-- SPRD Delta: O_IOD= 0.3989984E-06 O_D= 0.0000000E+00 O_TOT= -0.7602807E-12 <-- DLTA ------------------------------------------------------------------------------ @@ -1230,7 +1230,7 @@ Delta: O_IOD= 0.3989984E-06 O_D= 0.0000000E+00 O_TOT= -0.7602807E-12 <-- DLTA WF centre and spread 4 ( -1.074048, -1.239661, -1.239661 ) 2.74772498 Sum of centres and spreads ( -0.007625, 0.007625, 0.007625 ) 9.87726250 - 89 -0.354E-12 0.0000012241 1.6340875648 0.24 <-- CONV + 89 -0.354E-12 0.0000012241 1.6340875648 0.20 <-- CONV O_IOD= 1.6340876 O_D= 0.0000000 O_TOT= 1.6340876 <-- SPRD Delta: O_IOD= 0.1616358E-06 O_D= 0.0000000E+00 O_TOT= -0.3543832E-12 <-- DLTA ------------------------------------------------------------------------------ @@ -1241,7 +1241,7 @@ Delta: O_IOD= 0.1616358E-06 O_D= 0.0000000E+00 O_TOT= -0.3543832E-12 <-- DLTA WF centre and spread 4 ( -1.074048, -1.239661, -1.239661 ) 2.74772498 Sum of centres and spreads ( -0.007625, 0.007625, 0.007625 ) 9.87726251 - 90 -0.488E-13 0.0000012257 1.6340875648 0.24 <-- CONV + 90 -0.488E-13 0.0000012257 1.6340875648 0.20 <-- CONV O_IOD= 1.6340876 O_D= 0.0000000 O_TOT= 1.6340876 <-- SPRD Delta: O_IOD= 0.2729826E-07 O_D= 0.0000000E+00 O_TOT= -0.4884981E-13 <-- DLTA ------------------------------------------------------------------------------ @@ -1252,7 +1252,7 @@ Delta: O_IOD= 0.2729826E-07 O_D= 0.0000000E+00 O_TOT= -0.4884981E-13 <-- DLTA WF centre and spread 4 ( -1.074048, -1.239661, -1.239661 ) 2.74772499 Sum of centres and spreads ( -0.007625, 0.007625, 0.007625 ) 9.87726254 - 91 -0.324E-12 0.0000012218 1.6340875648 0.24 <-- CONV + 91 -0.324E-12 0.0000012218 1.6340875648 0.20 <-- CONV O_IOD= 1.6340876 O_D= 0.0000000 O_TOT= 1.6340876 <-- SPRD Delta: O_IOD= 0.1589679E-06 O_D= 0.0000000E+00 O_TOT= -0.3241851E-12 <-- DLTA ------------------------------------------------------------------------------ @@ -1263,7 +1263,7 @@ Delta: O_IOD= 0.1589679E-06 O_D= 0.0000000E+00 O_TOT= -0.3241851E-12 <-- DLTA WF centre and spread 4 ( -1.074048, -1.239661, -1.239661 ) 2.74772500 Sum of centres and spreads ( -0.007625, 0.007625, 0.007625 ) 9.87726256 - 92 -0.179E-12 0.0000012030 1.6340875648 0.24 <-- CONV + 92 -0.179E-12 0.0000012030 1.6340875648 0.20 <-- CONV O_IOD= 1.6340876 O_D= 0.0000000 O_TOT= 1.6340876 <-- SPRD Delta: O_IOD= 0.8150540E-07 O_D= 0.0000000E+00 O_TOT= -0.1794120E-12 <-- DLTA ------------------------------------------------------------------------------ @@ -1274,7 +1274,7 @@ Delta: O_IOD= 0.8150540E-07 O_D= 0.0000000E+00 O_TOT= -0.1794120E-12 <-- DLTA WF centre and spread 4 ( -1.074049, -1.239661, -1.239661 ) 2.74772503 Sum of centres and spreads ( -0.007625, 0.007625, 0.007625 ) 9.87726267 - 93 -0.997E-12 0.0000011960 1.6340875648 0.24 <-- CONV + 93 -0.997E-12 0.0000011960 1.6340875648 0.21 <-- CONV O_IOD= 1.6340876 O_D= 0.0000000 O_TOT= 1.6340876 <-- SPRD Delta: O_IOD= 0.5104941E-06 O_D= 0.0000000E+00 O_TOT= -0.9965362E-12 <-- DLTA ------------------------------------------------------------------------------ @@ -1285,7 +1285,7 @@ Delta: O_IOD= 0.5104941E-06 O_D= 0.0000000E+00 O_TOT= -0.9965362E-12 <-- DLTA WF centre and spread 4 ( -1.074049, -1.239662, -1.239662 ) 2.74772518 Sum of centres and spreads ( -0.007625, 0.007625, 0.007625 ) 9.87726311 - 94 -0.376E-11 0.0000011760 1.6340875648 0.25 <-- CONV + 94 -0.376E-11 0.0000011760 1.6340875648 0.21 <-- CONV O_IOD= 1.6340876 O_D= 0.0000000 O_TOT= 1.6340876 <-- SPRD Delta: O_IOD= 0.2070441E-05 O_D= 0.0000000E+00 O_TOT= -0.3757883E-11 <-- DLTA ------------------------------------------------------------------------------ @@ -1296,7 +1296,7 @@ Delta: O_IOD= 0.2070441E-05 O_D= 0.0000000E+00 O_TOT= -0.3757883E-11 <-- DLTA WF centre and spread 4 ( -1.074049, -1.239663, -1.239663 ) 2.74772655 Sum of centres and spreads ( -0.007625, 0.007625, 0.007625 ) 9.87726721 - 95 -0.234E-10 0.0000012803 1.6340875647 0.25 <-- CONV + 95 -0.234E-10 0.0000012803 1.6340875647 0.21 <-- CONV O_IOD= 1.6340876 O_D= 0.0000000 O_TOT= 1.6340876 <-- SPRD Delta: O_IOD= 0.1922426E-04 O_D= 0.0000000E+00 O_TOT= -0.2339373E-10 <-- DLTA ------------------------------------------------------------------------------ @@ -1307,7 +1307,7 @@ Delta: O_IOD= 0.1922426E-04 O_D= 0.0000000E+00 O_TOT= -0.2339373E-10 <-- DLTA WF centre and spread 4 ( -1.074049, -1.239663, -1.239663 ) 2.74772655 Sum of centres and spreads ( -0.007625, 0.007625, 0.007625 ) 9.87726722 - 96 -0.126E-12 0.0000010046 1.6340875647 0.25 <-- CONV + 96 -0.126E-12 0.0000010046 1.6340875647 0.21 <-- CONV O_IOD= 1.6340876 O_D= 0.0000000 O_TOT= 1.6340876 <-- SPRD Delta: O_IOD= 0.3189778E-07 O_D= 0.0000000E+00 O_TOT= -0.1261213E-12 <-- DLTA ------------------------------------------------------------------------------ @@ -1318,7 +1318,7 @@ Delta: O_IOD= 0.3189778E-07 O_D= 0.0000000E+00 O_TOT= -0.1261213E-12 <-- DLTA WF centre and spread 4 ( -1.074049, -1.239663, -1.239663 ) 2.74772655 Sum of centres and spreads ( -0.007625, 0.007625, 0.007625 ) 9.87726722 - 97 -0.604E-13 0.0000008568 1.6340875647 0.25 <-- CONV + 97 -0.604E-13 0.0000008568 1.6340875647 0.21 <-- CONV O_IOD= 1.6340876 O_D= 0.0000000 O_TOT= 1.6340876 <-- SPRD Delta: O_IOD= 0.1477521E-07 O_D= 0.0000000E+00 O_TOT= -0.6039613E-13 <-- DLTA ------------------------------------------------------------------------------ @@ -1329,7 +1329,7 @@ Delta: O_IOD= 0.1477521E-07 O_D= 0.0000000E+00 O_TOT= -0.6039613E-13 <-- DLTA WF centre and spread 4 ( -1.074049, -1.239663, -1.239663 ) 2.74772655 Sum of centres and spreads ( -0.007625, 0.007625, 0.007625 ) 9.87726723 - 98 -0.968E-13 0.0000008014 1.6340875647 0.25 <-- CONV + 98 -0.968E-13 0.0000008014 1.6340875647 0.22 <-- CONV O_IOD= 1.6340876 O_D= 0.0000000 O_TOT= 1.6340876 <-- SPRD Delta: O_IOD= 0.3028113E-07 O_D= 0.0000000E+00 O_TOT= -0.9681145E-13 <-- DLTA ------------------------------------------------------------------------------ @@ -1340,7 +1340,7 @@ Delta: O_IOD= 0.3028113E-07 O_D= 0.0000000E+00 O_TOT= -0.9681145E-13 <-- DLTA WF centre and spread 4 ( -1.074049, -1.239663, -1.239663 ) 2.74772656 Sum of centres and spreads ( -0.007625, 0.007625, 0.007625 ) 9.87726726 - 99 -0.266E-12 0.0000007066 1.6340875647 0.26 <-- CONV + 99 -0.266E-12 0.0000007066 1.6340875647 0.22 <-- CONV O_IOD= 1.6340876 O_D= 0.0000000 O_TOT= 1.6340876 <-- SPRD Delta: O_IOD= 0.1928814E-06 O_D= 0.0000000E+00 O_TOT= -0.2664535E-12 <-- DLTA ------------------------------------------------------------------------------ @@ -1351,7 +1351,7 @@ Delta: O_IOD= 0.1928814E-06 O_D= 0.0000000E+00 O_TOT= -0.2664535E-12 <-- DLTA WF centre and spread 4 ( -1.074049, -1.239663, -1.239663 ) 2.74772657 Sum of centres and spreads ( -0.007625, 0.007625, 0.007625 ) 9.87726727 - 100 -0.338E-13 0.0000006422 1.6340875647 0.26 <-- CONV + 100 -0.338E-13 0.0000006422 1.6340875647 0.22 <-- CONV O_IOD= 1.6340876 O_D= 0.0000000 O_TOT= 1.6340876 <-- SPRD Delta: O_IOD= 0.2932747E-07 O_D= 0.0000000E+00 O_TOT= -0.3375078E-13 <-- DLTA ------------------------------------------------------------------------------ @@ -1371,22 +1371,22 @@ Delta: O_IOD= 0.2932747E-07 O_D= 0.0000000E+00 O_TOT= -0.3375078E-13 <-- DLTA Penalty func = 0.000000000 Final Spread (Ang^2) Omega Total_C = 1.634087565 ------------------------------------------------------------------------------ - Time for wannierise 0.260 (sec) + Time for wannierise 0.220 (sec) Writing checkpoint file gaas.chk... done Time for plotting 0.000 (sec) - Total Execution Time 0.328 (sec) + Total Execution Time 0.264 (sec) *===========================================================================* | TIMING INFORMATION | *===========================================================================* | Tag Ncalls Time (s)| |---------------------------------------------------------------------------| - |kmesh: get : 1 0.044| + |kmesh: get : 1 0.028| |overlap: allocate : 1 0.000| - |overlap: read : 1 0.012| - |wann: main : 1 0.260| + |overlap: read : 1 0.008| + |wann: main : 1 0.220| |plot: main : 1 0.000| *---------------------------------------------------------------------------* From f6ac015884531630744914b6e964572cf058a906 Mon Sep 17 00:00:00 2001 From: "Valerio Vitale (PDRA" Date: Wed, 10 Oct 2018 10:52:46 +0100 Subject: [PATCH 6/6] Update userconfig for SLWF+C --- test-suite/tests/userconfig | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/test-suite/tests/userconfig b/test-suite/tests/userconfig index 3269aefdd..c55b40842 100644 --- a/test-suite/tests/userconfig +++ b/test-suite/tests/userconfig @@ -30,7 +30,7 @@ tolerance = ( (1.0e-5, 1.0e-5, 'final_centres_x'), (2.0e-6, 2.0e-6, 'final_spreads'), (1.0e-6, 1.0e-6, 'omegaIOD_C'), (1.0e-6, 5.0e-6, 'omegaD'), - (1.0e-6, 1.0e-6, 'omegaRest'), + (1.0e-5, 1.0e-5, 'omegaRest'), (1.0e-5, 1.0e-5, 'penaltyfunc'), (1.0e-6, 1.0e-6, 'omegaTotal_C'), (1.0e-6, 1.0e-6, 'near_neigh_dist'),