Skip to content
Snippets Groups Projects
cuo.propout 39.8 KiB
Newer Older
  • Learn to ignore specific revisions
  • Elisa Rebolini's avatar
    Elisa Rebolini committed
     ***********************************************
    
             Programme  PROPRIETES du SASS
    
     ***********************************************
     DEBUG VersionT
    
    Elisa Rebolini's avatar
    Elisa Rebolini committed
     Calculation started on 03-02-2022 at 09:50
    
    Elisa Rebolini's avatar
    Elisa Rebolini committed
    
     >>> Method sas+s   
     >>> Ouverture des fichiers
    propo :                                                                     cuo.propout
     bdet :                                                                        cuo.bdet
     sass :                                                                        cuo.sass
    resta :                                                                     cuo.restart
     ref0 :                                                                        cuo.ref0
        1   :    10 01 
    
     >>> Generation of all determinants
      Ref0:     1  Couches fermees :   0 - 00 00  Ref0:     1  Couches ouvertes:   2 - 11 00
    
      Nbre de conf d'espace unique :  1
      Ref0 irr:     1  Couches fermees :   0 - 00  Ref0 irr:     1  Couches ouvertes:   2 - 11
      Nbre de det Ref0 final :  2
     --------------------------------------------
        Entree dans diag_S2 pour les etats :
    01 10
    10 01
     Matrix to be diagonalised
             1.000000     1.000000
             1.000000     1.000000
        Valeurs pp de S2
       0.000000000000   2.000000000000
    
        Nbre de conf S, Sz            1
       -0.707107
        0.707107
     --------------------------------------------
    
      Ref0 finaux 
        1   :   01 10
        2   :   10 01
      Nbre de det Ref1 (debug) :      12
      Nbre de det Ref1 CAS -> CAS :       2
      Nbre de det Ref1 ligo-> CAS :       8
      Nbre de det Ref1 CAS -> ligv:       0
      Nbre de det Ref1 ligo-> ligv tot:       0
      Ref1 Cas  -> Cas  :    1 ->     2
    ===
    Active determinant list R_-2
    Contains 1 determinants
               0           2          -2
               1           0           0
    ===
    Active determinant list R_-1
    Contains 4 determinants
               1          -1           3          -3
               2           2           0           0
    ===
    Active determinant list R_0
    Contains 6 determinants
               0           2          -2           4          -4
               4           1           1           0           0
    ===
    Active determinant list R_1
    Contains 4 determinants
               1          -1           3          -3
               2           2           0           0
    ===
    Active determinant list R_2
    Contains 1 determinants
               0           2          -2
               1           0           0
      >>> Generation of D0
     Estimated nb of det. 6
      Nb of determinants in D  0 =                                        4
      >>> Determinant block D0 generated in     0.00 second(s)
      >>> Generation of D1
     Estimated nb of det. 192
      Nb of determinants in D  1 =                                       80
      >>> Determinant block D1 generated in     0.00 second(s)
      >>> Generation of D2
     Estimated nb of det. 0
      Nb of determinants in D  2 =                                        0
      >>> Determinant block D2 generated in     0.00 second(s)
      >>> Generation of D11
     Estimated nb of det. 16
      Nb of determinants in D 11 =                                        8
      >>> Determinant block D11 generated in     0.00 second(s)
      >>> Generation of D12
     Estimated nb of det. 512
      Nb of determinants in D 12 =                                       80
      >>> Determinant block D12 generated in     0.00 second(s)
      >>> Generation of D-11
     Estimated nb of det. 32
      Nb of determinants in D-11 =                                       16
      >>> Determinant block D-11 generated in     0.00 second(s)
      >>> Generation of D-12
     Estimated nb of det. 0
      Nb of determinants in D-12 =                                        0
      >>> Determinant block D-12 generated in     0.00 second(s)
      >>> Generation of D20
     Estimated nb of det. 16
      Nb of determinants in D 20 =                                        4
      >>> Determinant block D20 generated in     0.00 second(s)
      >>> Generation of D-20
     Estimated nb of det. 0
      Nb of determinants in D-20 =                                        0
      >>> Determinant block D-20 generated in     0.00 second(s)
      Total Nb of determinant                                           192
    
    Elisa Rebolini's avatar
    Elisa Rebolini committed
     >>>Determinants generated in   6.9499999999999987E-004 second(s)
    
    Elisa Rebolini's avatar
    Elisa Rebolini committed
    
     >>> Reading determinants in file bdet
    
     >>> Reading vectors from file restart
         Vectors read from file
         Nbre of vectors read      =           2
         Nbre of determinants      =         192
         Nbre of converged vectors =           2
         Last iteration            =          17
         Nuclear potential energy  =  -457.08617410062368     
         Core electrons energy     =  -4.2039726260611650     
    
      >>> Vectors projection on active space
     Vect              1                   2
     Ener      -462.54534104       -462.54527238
     Pcas         0.99996787          0.99996130
    
    
    Elisa Rebolini's avatar
    Elisa Rebolini committed
    01 10        -0.70709542         -0.08762904
    10 01         0.70709542         -0.08762904
    
    Elisa Rebolini's avatar
    Elisa Rebolini committed
    01 01         0.00000000         -0.69460380
    10 10        -0.00000000          0.70861072
    
     >>> Active space projection in CPU time              0.00s, Wall time              0.00 s
    
      >>>  Total WFs
    
    Elisa Rebolini's avatar
    Elisa Rebolini committed
            1  01 10             ->                 -0.707095422662   -0.087629043583
            2  10 01             ->                  0.707095422662   -0.087629043582
    
    Elisa Rebolini's avatar
    Elisa Rebolini committed
            3  01 01             ->                  0.000000000000   -0.694603803795
            4  10 10             ->                 -0.000000000000    0.708610720540
    
    Elisa Rebolini's avatar
    Elisa Rebolini committed
            5  01 10   41u       ->   45u            0.000067829689    0.000475546283
            6  10 01   41u       ->   45u            0.000026280288   -0.000359151569
            7  01 01   41u       ->   45u            0.000475241964    0.000051261659
            8  10 10   41u       ->   45u           -0.000371144938    0.000017459385
            9  01 10   42u       ->   45u            0.000004699863    0.000246955692
           10  10 01   42u       ->   45u           -0.000000178858   -0.000327632382
           11  01 01   42u       ->   45u            0.000284944902    0.000006654830
           12  10 10   42u       ->   45u           -0.000298366206    0.000001946961
           13  00 11   41d       ->   45u           -0.000945193770   -0.000834698827
           14  00 11   42d       ->   45u           -0.000277860826   -0.000574590329
           15  01 10   41u       ->   46u           -0.000213674434   -0.000145436873
           16  10 01   41u       ->   46u           -0.000254389953   -0.000004339865
           17  01 01   41u       ->   46u           -0.000086636855   -0.000067841519
           18  10 10   41u       ->   46u           -0.000009441959   -0.000150740477
           19  01 10   42u       ->   46u           -0.000014439248   -0.000733005614
           20  10 01   42u       ->   46u            0.000028756843    0.001067080286
           21  01 01   42u       ->   46u           -0.000825056891    0.000039853625
           22  10 10   42u       ->   46u            0.001024579646    0.000145384109
           23  00 11   41d       ->   46u            0.000480681512    0.000141096975
           24  00 11   42d       ->   46u            0.000926701253    0.001800087742
           25  01 10   41u       ->   47u           -0.000104625341    0.000067136889
           26  10 01   41u       ->   47u           -0.000108076608    0.000073883417
           27  01 01   41u       ->   47u            0.000054656599   -0.000102057715
           28  10 10   41u       ->   47u            0.000021880236   -0.000087843632
           29  01 10   42u       ->   47u            0.000045446849    0.000334894807
           30  10 01   42u       ->   47u            0.000004034187   -0.000394833337
           31  01 01   42u       ->   47u            0.000385443101    0.000021835676
           32  10 10   42u       ->   47u           -0.000355935728   -0.000016778192
           33  00 11   41d       ->   47u           -0.000164048708    0.000006746190
           34  00 11   42d       ->   47u           -0.000349071953   -0.000729731243
           35  01 10   41u       ->   48u           -0.000198316262    0.000000074731
           36  10 01   41u       ->   48u           -0.000205626767    0.000051235041
           37  01 01   41u       ->   48u            0.000040736279   -0.000119560542
           38  10 10   41u       ->   48u            0.000037295114   -0.000130678457
           39  01 10   42u       ->   48u            0.000056058023   -0.000105194843
           40  10 01   42u       ->   48u           -0.000002920225    0.000091977174
           41  01 01   42u       ->   48u           -0.000056985818   -0.000036182830
           42  10 10   42u       ->   48u            0.000150991546   -0.000088077632
           43  00 11   41d       ->   48u           -0.000133521281    0.000051160104
           44  00 11   42d       ->   48u            0.000418965071    0.000197170565
           45  11 00   41u       ->   45d           -0.000945193770    0.000834698827
           46  11 00   42u       ->   45d           -0.000277860826    0.000574590329
           47  01 10   41d       ->   45d           -0.000026280288   -0.000359151569
           48  10 01   41d       ->   45d           -0.000067829689    0.000475546283
           49  01 01   41d       ->   45d           -0.000475241964    0.000051261659
           50  10 10   41d       ->   45d            0.000371144938    0.000017459385
           51  01 10   42d       ->   45d            0.000000178858   -0.000327632382
           52  10 01   42d       ->   45d           -0.000004699863    0.000246955692
           53  01 01   42d       ->   45d           -0.000284944902    0.000006654830
           54  10 10   42d       ->   45d            0.000298366206    0.000001946961
           55  11 00   41u       ->   46d            0.000480681512   -0.000141096975
           56  11 00   42u       ->   46d            0.000926701253   -0.001800087742
           57  01 10   41d       ->   46d            0.000254389953   -0.000004339865
           58  10 01   41d       ->   46d            0.000213674434   -0.000145436873
           59  01 01   41d       ->   46d            0.000086636855   -0.000067841519
           60  10 10   41d       ->   46d            0.000009441959   -0.000150740477
           61  01 10   42d       ->   46d           -0.000028756843    0.001067080286
           62  10 01   42d       ->   46d            0.000014439248   -0.000733005614
           63  01 01   42d       ->   46d            0.000825056891    0.000039853625
           64  10 10   42d       ->   46d           -0.001024579646    0.000145384109
           65  11 00   41u       ->   47d           -0.000164048708   -0.000006746190
           66  11 00   42u       ->   47d           -0.000349071953    0.000729731243
           67  01 10   41d       ->   47d            0.000108076608    0.000073883417
           68  10 01   41d       ->   47d            0.000104625341    0.000067136889
           69  01 01   41d       ->   47d           -0.000054656599   -0.000102057715
           70  10 10   41d       ->   47d           -0.000021880236   -0.000087843632
           71  01 10   42d       ->   47d           -0.000004034187   -0.000394833337
           72  10 01   42d       ->   47d           -0.000045446849    0.000334894807
           73  01 01   42d       ->   47d           -0.000385443101    0.000021835676
           74  10 10   42d       ->   47d            0.000355935728   -0.000016778192
           75  11 00   41u       ->   48d           -0.000133521281   -0.000051160104
           76  11 00   42u       ->   48d            0.000418965071   -0.000197170565
           77  01 10   41d       ->   48d            0.000205626767    0.000051235041
           78  10 01   41d       ->   48d            0.000198316262    0.000000074731
           79  01 01   41d       ->   48d           -0.000040736279   -0.000119560542
           80  10 10   41d       ->   48d           -0.000037295114   -0.000130678457
           81  01 10   42d       ->   48d            0.000002920225    0.000091977174
           82  10 01   42d       ->   48d           -0.000056058023   -0.000105194843
           83  01 01   42d       ->   48d            0.000056985818   -0.000036182830
           84  10 10   42d       ->   48d           -0.000150991546   -0.000088077632
           85  11 10   41u       ->                 -0.000018556013   -0.000220628484
           86  11 01   41u       ->                  0.000088859574    0.000080559183
           87  11 10   42u       ->                  0.000069600946    0.000299210442
           88  11 01   42u       ->                  0.000025007361    0.000115543502
           89  10 11   41d       ->                 -0.000018556013    0.000220628484
           90  01 11   41d       ->                  0.000088859574   -0.000080559183
           91  10 11   42d       ->                  0.000069600946   -0.000299210442
           92  01 11   42d       ->                  0.000025007361   -0.000115543502
           93  11 10   41u  42u ->   45u           -0.000167089142   -0.000271979939
           94  11 01   41u  42u ->   45u           -0.000252618190   -0.000135351685
           95  10 11   41u  41d ->   45u           -0.000229904044   -0.001289364204
           96  01 11   41u  41d ->   45u            0.001326162147    0.000402132816
           97  10 11   41u  42d ->   45u           -0.000474555426    0.000224186734
           98  01 11   41u  42d ->   45u           -0.000173078936    0.000431367615
           99  10 11   42u  41d ->   45u           -0.000299545254   -0.000047793221
          100  01 11   42u  41d ->   45u            0.000081183509    0.000296015917
          101  10 11   42u  42d ->   45u           -0.000187663270   -0.000053133045
          102  01 11   42u  42d ->   45u            0.000082679717    0.000200376853
          103  11 10   41u  42u ->   46u           -0.000861015241   -0.000480523634
          104  11 01   41u  42u ->   46u           -0.000376688360   -0.000796500757
          105  10 11   41u  41d ->   46u           -0.000122119337   -0.001538112512
          106  01 11   41u  41d ->   46u            0.001564081746    0.000313773296
          107  10 11   41u  42d ->   46u           -0.000430873659    0.000549815210
          108  01 11   41u  42d ->   46u           -0.000465605049    0.000392691202
          109  10 11   42u  41d ->   46u            0.000395590474    0.000069291738
          110  01 11   42u  41d ->   46u           -0.000124237167   -0.000403809366
          111  10 11   42u  42d ->   46u           -0.000222003819    0.000037040758
          112  01 11   42u  42d ->   46u           -0.000027905461    0.000194379234
          113  11 10   41u  42u ->   47u            0.000092223807    0.000318847158
          114  11 01   41u  42u ->   47u            0.000307660625    0.000051973672
          115  10 11   41u  41d ->   47u            0.000179147172   -0.000276202556
          116  01 11   41u  41d ->   47u            0.000257441958   -0.000135871335
          117  10 11   41u  42d ->   47u           -0.000345091925   -0.000013464384
          118  01 11   41u  42d ->   47u            0.000052637350    0.000331146408
          119  10 11   42u  41d ->   47u           -0.000430238637    0.000305382832
          120  01 11   42u  41d ->   47u           -0.000253962332    0.000383120115
          121  10 11   42u  42d ->   47u            0.000201973835   -0.000063415766
          122  01 11   42u  42d ->   47u            0.000044298847   -0.000185375452
          123  11 10   41u  42u ->   48u            0.000307471576    0.000705500597
          124  11 01   41u  42u ->   48u            0.000669629342    0.000214642011
          125  10 11   41u  41d ->   48u            0.000158924466   -0.000640459333
          126  01 11   41u  41d ->   48u            0.000629862102   -0.000080613646
          127  10 11   41u  42d ->   48u           -0.000175078636    0.000571381022
          128  01 11   41u  42d ->   48u           -0.000536430050    0.000112099232
          129  10 11   42u  41d ->   48u           -0.000494328959    0.001276881658
          130  01 11   42u  41d ->   48u           -0.001219205986    0.000326741268
          131  10 11   42u  42d ->   48u            0.000603127847   -0.000729318706
          132  01 11   42u  42d ->   48u            0.000638726928   -0.000519627046
          133  11 10   41u  41d ->   45d            0.000229904044   -0.001289364204
          134  11 01   41u  41d ->   45d           -0.001326162147    0.000402132816
          135  11 10   41u  42d ->   45d            0.000299545254   -0.000047793221
          136  11 01   41u  42d ->   45d           -0.000081183509    0.000296015917
          137  11 10   42u  41d ->   45d            0.000474555426    0.000224186734
          138  11 01   42u  41d ->   45d            0.000173078936    0.000431367615
          139  11 10   42u  42d ->   45d            0.000187663270   -0.000053133045
          140  11 01   42u  42d ->   45d           -0.000082679717    0.000200376853
          141  10 11   41d  42d ->   45d           -0.000167089142    0.000271979939
          142  01 11   41d  42d ->   45d           -0.000252618190    0.000135351685
          143  11 10   41u  41d ->   46d            0.000122119337   -0.001538112512
          144  11 01   41u  41d ->   46d           -0.001564081746    0.000313773296
          145  11 10   41u  42d ->   46d           -0.000395590474    0.000069291738
          146  11 01   41u  42d ->   46d            0.000124237167   -0.000403809366
          147  11 10   42u  41d ->   46d            0.000430873659    0.000549815210
          148  11 01   42u  41d ->   46d            0.000465605049    0.000392691202
          149  11 10   42u  42d ->   46d            0.000222003819    0.000037040758
          150  11 01   42u  42d ->   46d            0.000027905461    0.000194379234
          151  10 11   41d  42d ->   46d           -0.000861015241    0.000480523634
          152  01 11   41d  42d ->   46d           -0.000376688360    0.000796500757
          153  11 10   41u  41d ->   47d           -0.000179147172   -0.000276202556
          154  11 01   41u  41d ->   47d           -0.000257441958   -0.000135871335
          155  11 10   41u  42d ->   47d            0.000430238637    0.000305382832
          156  11 01   41u  42d ->   47d            0.000253962332    0.000383120115
          157  11 10   42u  41d ->   47d            0.000345091925   -0.000013464384
          158  11 01   42u  41d ->   47d           -0.000052637350    0.000331146408
          159  11 10   42u  42d ->   47d           -0.000201973835   -0.000063415766
          160  11 01   42u  42d ->   47d           -0.000044298847   -0.000185375452
          161  10 11   41d  42d ->   47d            0.000092223807   -0.000318847158
          162  01 11   41d  42d ->   47d            0.000307660625   -0.000051973672
          163  11 10   41u  41d ->   48d           -0.000158924466   -0.000640459333
          164  11 01   41u  41d ->   48d           -0.000629862102   -0.000080613646
          165  11 10   41u  42d ->   48d            0.000494328959    0.001276881658
          166  11 01   41u  42d ->   48d            0.001219205986    0.000326741268
          167  11 10   42u  41d ->   48d            0.000175078636    0.000571381022
          168  11 01   42u  41d ->   48d            0.000536430050    0.000112099232
          169  11 10   42u  42d ->   48d           -0.000603127847   -0.000729318706
          170  11 01   42u  42d ->   48d           -0.000638726928   -0.000519627046
          171  10 11   41d  42d ->   48d            0.000307471576   -0.000705500597
          172  01 11   41d  42d ->   48d            0.000669629342   -0.000214642011
          173  00 01             ->   45u           -0.000007203964    0.000059303491
          174  00 10             ->   45u           -0.000019755149   -0.000027857062
          175  00 01             ->   46u           -0.000006966187    0.000231573776
          176  00 10             ->   46u           -0.000014552720    0.000005996020
          177  00 01             ->   47u            0.000003898257    0.000088141991
          178  00 10             ->   47u           -0.000002529804    0.000000324642
          179  00 01             ->   48u           -0.000001166661    0.000165142624
          180  00 10             ->   48u           -0.000011324849    0.000145709417
          181  01 00             ->   45d           -0.000007203964   -0.000059303491
          182  10 00             ->   45d           -0.000019755149    0.000027857062
          183  01 00             ->   46d           -0.000006966187   -0.000231573776
          184  10 00             ->   46d           -0.000014552720   -0.000005996020
          185  01 00             ->   47d            0.000003898257   -0.000088141991
          186  10 00             ->   47d           -0.000002529804   -0.000000324642
          187  01 00             ->   48d           -0.000001166661   -0.000165142624
          188  10 00             ->   48d           -0.000011324849   -0.000145709417
    
    Elisa Rebolini's avatar
    Elisa Rebolini committed
          189  11 11   41u  41d ->                  0.000000000000   -0.001232442196
    
    Elisa Rebolini's avatar
    Elisa Rebolini committed
          190  11 11   41u  42d ->                 -0.000415718785    0.000342561613
          191  11 11   42u  41d ->                  0.000415718785    0.000342561613
    
    Elisa Rebolini's avatar
    Elisa Rebolini committed
          192  11 11   42u  42d ->                 -0.000000000000    0.000087661482
    
    
     >>> One particule density matrix
         Dens total : non zero terms
            1    1       2.0000000000000000     2.0000000000000000
            2    2       2.0000000000000000     2.0000000000000000
            3    3       2.0000000000000000     2.0000000000000000
            4    4       2.0000000000000000     2.0000000000000000
            5    5       2.0000000000000000     2.0000000000000000
            6    6       2.0000000000000000     2.0000000000000000
            7    7       2.0000000000000000     2.0000000000000000
            8    8       2.0000000000000000     2.0000000000000000
            9    9       2.0000000000000000     2.0000000000000000
           10   10       2.0000000000000000     2.0000000000000000
           11   11       2.0000000000000000     2.0000000000000000
           12   12       2.0000000000000000     2.0000000000000000
           13   13       2.0000000000000000     2.0000000000000000
           14   14       2.0000000000000000     2.0000000000000000
           15   15       2.0000000000000000     2.0000000000000000
           16   16       2.0000000000000000     2.0000000000000000
           17   17       2.0000000000000000     2.0000000000000000
           18   18       2.0000000000000000     2.0000000000000000
           19   19       2.0000000000000000     2.0000000000000000
           20   20       2.0000000000000000     2.0000000000000000
           21   21       2.0000000000000000     2.0000000000000000
           22   22       2.0000000000000000     2.0000000000000000
           23   23       2.0000000000000000     2.0000000000000000
           24   24       2.0000000000000000     2.0000000000000000
           25   25       2.0000000000000000     2.0000000000000000
           26   26       2.0000000000000000     2.0000000000000000
           27   27       2.0000000000000000     2.0000000000000000
           28   28       2.0000000000000000     2.0000000000000000
           29   29       2.0000000000000000     2.0000000000000000
           30   30       2.0000000000000000     2.0000000000000000
           31   31       2.0000000000000000     2.0000000000000000
           32   32       2.0000000000000000     2.0000000000000000
           33   33       2.0000000000000000     2.0000000000000000
           34   34       2.0000000000000000     2.0000000000000000
           35   35       2.0000000000000000     2.0000000000000000
           36   36       2.0000000000000000     2.0000000000000000
           37   37       2.0000000000000000     2.0000000000000000
           38   38       2.0000000000000000     2.0000000000000000
           39   39       2.0000000000000000     2.0000000000000000
           40   40       2.0000000000000000     2.0000000000000000
    
    Elisa Rebolini's avatar
    Elisa Rebolini committed
           41   41       1.9999669963141318     1.9999650768422699
    
    Elisa Rebolini's avatar
    Elisa Rebolini committed
           42   41      -0.0000055569445003    -0.0000064828147665
    
    Elisa Rebolini's avatar
    Elisa Rebolini committed
           43   41      -0.0000245736802430     0.0000786261850034
    
    Elisa Rebolini's avatar
    Elisa Rebolini committed
           44   41       0.0001245062842595    -0.0003257189565053
           45   41       0.0000586251748654     0.0000679299965837
           46   41       0.0000575189751203     0.0000947577379160
    
    Elisa Rebolini's avatar
    Elisa Rebolini committed
           47   41       0.0000048588256912     0.0000073951097696
           48   41       0.0000102073164813     0.0000282640123838
    
    Elisa Rebolini's avatar
    Elisa Rebolini committed
           41   42      -0.0000055569445003    -0.0000064828147665
    
    Elisa Rebolini's avatar
    Elisa Rebolini committed
           42   42       1.9999791984326305     1.9999732768242069
    
    Elisa Rebolini's avatar
    Elisa Rebolini committed
           43   42      -0.0000999540774234    -0.0002119253382988
           44   42      -0.0000354118653283    -0.0004038697131106
           45   42      -0.0000068571917722     0.0000074720804536
           46   42       0.0000610534477519     0.0000920720781996
           47   42      -0.0000586154980217    -0.0000433218566315
           48   42      -0.0000835965223620    -0.0000708995101305
    
    Elisa Rebolini's avatar
    Elisa Rebolini committed
           41   43      -0.0000245736802430     0.0000786261850034
    
    Elisa Rebolini's avatar
    Elisa Rebolini committed
           42   43      -0.0000999540774234    -0.0002119253382988
    
    Elisa Rebolini's avatar
    Elisa Rebolini committed
           43   43       1.0000063538256643     1.0196733838421690
           44   43       0.0000032990943402    -0.0024527625600157
           45   43       0.0000100696245309     0.0000502540473119
    
    Elisa Rebolini's avatar
    Elisa Rebolini committed
           46   43       0.0000096281088307     0.0000314433007974
    
    Elisa Rebolini's avatar
    Elisa Rebolini committed
           47   43      -0.0000052612642118     0.0000147947886041
    
    Elisa Rebolini's avatar
    Elisa Rebolini committed
           48   43       0.0000023003952979    -0.0001781542152590
           41   44       0.0001245062842595    -0.0003257189565053
           42   44      -0.0000354118653283    -0.0004038697131106
    
    Elisa Rebolini's avatar
    Elisa Rebolini committed
           43   44       0.0000032990943402    -0.0024527625600157
           44   44       1.0000156979897568     0.9803516359440565
    
    Elisa Rebolini's avatar
    Elisa Rebolini committed
           45   44      -0.0000279508187424     0.0000811997366616
    
    Elisa Rebolini's avatar
    Elisa Rebolini committed
           46   44      -0.0000198605970952     0.0003261387147731
           47   44      -0.0000036256688289     0.0001235922694692
    
    Elisa Rebolini's avatar
    Elisa Rebolini committed
           48   44      -0.0000162666537392     0.0002575829515648
           41   45       0.0000586251748654     0.0000679299965837
           42   45      -0.0000068571917722     0.0000074720804536
    
    Elisa Rebolini's avatar
    Elisa Rebolini committed
           43   45       0.0000100696245309     0.0000502540473119
    
    Elisa Rebolini's avatar
    Elisa Rebolini committed
           44   45      -0.0000279508187424     0.0000811997366616
           45   45       0.0000076140011121     0.0000076865986388
           46   45       0.0000024518949909     0.0000016246845381
           47   45       0.0000018239964837     0.0000020845708827
           48   45       0.0000013570675927     0.0000009712945112
           41   46       0.0000575189751203     0.0000947577379160
           42   46       0.0000610534477519     0.0000920720781996
           43   46       0.0000096281088307     0.0000314433007974
    
    Elisa Rebolini's avatar
    Elisa Rebolini committed
           44   46      -0.0000198605970952     0.0003261387147731
    
    Elisa Rebolini's avatar
    Elisa Rebolini committed
           45   46       0.0000024518949909     0.0000016246845381
           46   46       0.0000138170232086     0.0000181082937924
           47   46      -0.0000018314301371    -0.0000036244176813
           48   46       0.0000023880891463     0.0000024527344239
    
    Elisa Rebolini's avatar
    Elisa Rebolini committed
           41   47       0.0000048588256912     0.0000073951097696
    
    Elisa Rebolini's avatar
    Elisa Rebolini committed
           42   47      -0.0000586154980217    -0.0000433218566315
    
    Elisa Rebolini's avatar
    Elisa Rebolini committed
           43   47      -0.0000052612642118     0.0000147947886041
           44   47      -0.0000036256688289     0.0001235922694692
    
    Elisa Rebolini's avatar
    Elisa Rebolini committed
           45   47       0.0000018239964837     0.0000020845708827
           46   47      -0.0000018314301371    -0.0000036244176813
           47   47       0.0000021359273639     0.0000028492102150
           48   47       0.0000019562501966     0.0000018775139686
    
    Elisa Rebolini's avatar
    Elisa Rebolini committed
           41   48       0.0000102073164813     0.0000282640123838
    
    Elisa Rebolini's avatar
    Elisa Rebolini committed
           42   48      -0.0000835965223620    -0.0000708995101305
           43   48       0.0000023003952979    -0.0001781542152590
           44   48      -0.0000162666537392     0.0002575829515648
           45   48       0.0000013570675927     0.0000009712945112
           46   48       0.0000023880891463     0.0000024527344239
           47   48       0.0000019562501966     0.0000018775139686
           48   48       0.0000081864861294     0.0000079824446537
    
    
         Dens spin  : non zero terms
    
    
         Dens up    : non zero terms
            1    1       1.0000000000000000     1.0000000000000000
            2    2       1.0000000000000000     1.0000000000000000
            3    3       1.0000000000000000     1.0000000000000000
            4    4       1.0000000000000000     1.0000000000000000
            5    5       1.0000000000000000     1.0000000000000000
            6    6       1.0000000000000000     1.0000000000000000
            7    7       1.0000000000000000     1.0000000000000000
            8    8       1.0000000000000000     1.0000000000000000
            9    9       1.0000000000000000     1.0000000000000000
           10   10       1.0000000000000000     1.0000000000000000
           11   11       1.0000000000000000     1.0000000000000000
           12   12       1.0000000000000000     1.0000000000000000
           13   13       1.0000000000000000     1.0000000000000000
           14   14       1.0000000000000000     1.0000000000000000
           15   15       1.0000000000000000     1.0000000000000000
           16   16       1.0000000000000000     1.0000000000000000
           17   17       1.0000000000000000     1.0000000000000000
           18   18       1.0000000000000000     1.0000000000000000
           19   19       1.0000000000000000     1.0000000000000000
           20   20       1.0000000000000000     1.0000000000000000
           21   21       1.0000000000000000     1.0000000000000000
           22   22       1.0000000000000000     1.0000000000000000
           23   23       1.0000000000000000     1.0000000000000000
           24   24       1.0000000000000000     1.0000000000000000
           25   25       1.0000000000000000     1.0000000000000000
           26   26       1.0000000000000000     1.0000000000000000
           27   27       1.0000000000000000     1.0000000000000000
           28   28       1.0000000000000000     1.0000000000000000
           29   29       1.0000000000000000     1.0000000000000000
           30   30       1.0000000000000000     1.0000000000000000
           31   31       1.0000000000000000     1.0000000000000000
           32   32       1.0000000000000000     1.0000000000000000
           33   33       1.0000000000000000     1.0000000000000000
           34   34       1.0000000000000000     1.0000000000000000
           35   35       1.0000000000000000     1.0000000000000000
           36   36       1.0000000000000000     1.0000000000000000
           37   37       1.0000000000000000     1.0000000000000000
           38   38       1.0000000000000000     1.0000000000000000
           39   39       1.0000000000000000     1.0000000000000000
           40   40       1.0000000000000000     1.0000000000000000
    
    Elisa Rebolini's avatar
    Elisa Rebolini committed
           41   41       0.9999834981570659     0.9999825384211349
    
    Elisa Rebolini's avatar
    Elisa Rebolini committed
           42   41      -0.0000027784722501    -0.0000032414073832
    
    Elisa Rebolini's avatar
    Elisa Rebolini committed
           43   41      -0.0000122868401215     0.0000393130925016
           44   41       0.0000622531421297    -0.0001628594782526
           45   41       0.0000293125874323     0.0000339649982923
           46   41       0.0000287594875602     0.0000473788689579
    
    Elisa Rebolini's avatar
    Elisa Rebolini committed
           47   41       0.0000024294128456     0.0000036975548848
           48   41       0.0000051036582406     0.0000141320061919
           41   42      -0.0000027784722501    -0.0000032414073832
    
    Elisa Rebolini's avatar
    Elisa Rebolini committed
           42   42       0.9999895992163153     0.9999866384121034
           43   42      -0.0000499770387116    -0.0001059626691495
           44   42      -0.0000177059326641    -0.0002019348565553
           45   42      -0.0000034285958859     0.0000037360402265
           46   42       0.0000305267238751     0.0000460360391008
           47   42      -0.0000293077490105    -0.0000216609283162
           48   42      -0.0000417982611811    -0.0000354497550652
           41   43      -0.0000122868401215     0.0000393130925016
           42   43      -0.0000499770387116    -0.0001059626691495
           43   43       0.5000031769128762     0.5098366919210406
           44   43       0.0000016495475211    -0.0012263812803588
    
    Elisa Rebolini's avatar
    Elisa Rebolini committed
           45   43       0.0000050348122654     0.0000251270236559
    
    Elisa Rebolini's avatar
    Elisa Rebolini committed
           46   43       0.0000048140544154     0.0000157216503986
    
    Elisa Rebolini's avatar
    Elisa Rebolini committed
           47   43      -0.0000026306321059     0.0000073973943020
           48   43       0.0000011501976490    -0.0000890771076295
    
    Elisa Rebolini's avatar
    Elisa Rebolini committed
           41   44       0.0000622531421297    -0.0001628594782526
           42   44      -0.0000177059326641    -0.0002019348565553
           43   44       0.0000016495475211    -0.0012263812803588
           44   44       0.5000078489948343     0.4901758179720720
    
    Elisa Rebolini's avatar
    Elisa Rebolini committed
           45   44      -0.0000139754093712     0.0000405998683308
           46   44      -0.0000099302985476     0.0001630693573865
           47   44      -0.0000018128344145     0.0000617961347346
    
    Elisa Rebolini's avatar
    Elisa Rebolini committed
           48   44      -0.0000081333268696     0.0001287914757825
           41   45       0.0000293125874323     0.0000339649982923
           42   45      -0.0000034285958859     0.0000037360402265
    
    Elisa Rebolini's avatar
    Elisa Rebolini committed
           43   45       0.0000050348122654     0.0000251270236559
           44   45      -0.0000139754093712     0.0000405998683308
           45   45       0.0000038070005560     0.0000038432993194
           46   45       0.0000012259474954     0.0000008123422691
           47   45       0.0000009119982419     0.0000010422854413
           48   45       0.0000006785337964     0.0000004856472556
    
    Elisa Rebolini's avatar
    Elisa Rebolini committed
           41   46       0.0000287594875602     0.0000473788689579
           42   46       0.0000305267238751     0.0000460360391008
           43   46       0.0000048140544154     0.0000157216503986
    
    Elisa Rebolini's avatar
    Elisa Rebolini committed
           44   46      -0.0000099302985476     0.0001630693573865
           45   46       0.0000012259474954     0.0000008123422691
           46   46       0.0000069085116043     0.0000090541468962
           47   46      -0.0000009157150686    -0.0000018122088407
           48   46       0.0000011940445731     0.0000012263672119
           41   47       0.0000024294128456     0.0000036975548848
    
    Elisa Rebolini's avatar
    Elisa Rebolini committed
           42   47      -0.0000293077490105    -0.0000216609283162
    
    Elisa Rebolini's avatar
    Elisa Rebolini committed
           43   47      -0.0000026306321059     0.0000073973943020
           44   47      -0.0000018128344145     0.0000617961347346
           45   47       0.0000009119982419     0.0000010422854413
           46   47      -0.0000009157150686    -0.0000018122088407
           47   47       0.0000010679636819     0.0000014246051075
           48   47       0.0000009781250983     0.0000009387569843
           41   48       0.0000051036582406     0.0000141320061919
    
    Elisa Rebolini's avatar
    Elisa Rebolini committed
           42   48      -0.0000417982611811    -0.0000354497550652
    
    Elisa Rebolini's avatar
    Elisa Rebolini committed
           43   48       0.0000011501976490    -0.0000890771076295
    
    Elisa Rebolini's avatar
    Elisa Rebolini committed
           44   48      -0.0000081333268696     0.0001287914757825
    
    Elisa Rebolini's avatar
    Elisa Rebolini committed
           45   48       0.0000006785337964     0.0000004856472556
           46   48       0.0000011940445731     0.0000012263672119
           47   48       0.0000009781250983     0.0000009387569843
           48   48       0.0000040932430647     0.0000039912223269
    
    
         Dens down  : non zero terms
            1    1       1.0000000000000000     1.0000000000000000
            2    2       1.0000000000000000     1.0000000000000000
            3    3       1.0000000000000000     1.0000000000000000
            4    4       1.0000000000000000     1.0000000000000000
            5    5       1.0000000000000000     1.0000000000000000
            6    6       1.0000000000000000     1.0000000000000000
            7    7       1.0000000000000000     1.0000000000000000
            8    8       1.0000000000000000     1.0000000000000000
            9    9       1.0000000000000000     1.0000000000000000
           10   10       1.0000000000000000     1.0000000000000000
           11   11       1.0000000000000000     1.0000000000000000
           12   12       1.0000000000000000     1.0000000000000000
           13   13       1.0000000000000000     1.0000000000000000
           14   14       1.0000000000000000     1.0000000000000000
           15   15       1.0000000000000000     1.0000000000000000
           16   16       1.0000000000000000     1.0000000000000000
           17   17       1.0000000000000000     1.0000000000000000
           18   18       1.0000000000000000     1.0000000000000000
           19   19       1.0000000000000000     1.0000000000000000
           20   20       1.0000000000000000     1.0000000000000000
           21   21       1.0000000000000000     1.0000000000000000
           22   22       1.0000000000000000     1.0000000000000000
           23   23       1.0000000000000000     1.0000000000000000
           24   24       1.0000000000000000     1.0000000000000000
           25   25       1.0000000000000000     1.0000000000000000
           26   26       1.0000000000000000     1.0000000000000000
           27   27       1.0000000000000000     1.0000000000000000
           28   28       1.0000000000000000     1.0000000000000000
           29   29       1.0000000000000000     1.0000000000000000
           30   30       1.0000000000000000     1.0000000000000000
           31   31       1.0000000000000000     1.0000000000000000
           32   32       1.0000000000000000     1.0000000000000000
           33   33       1.0000000000000000     1.0000000000000000
           34   34       1.0000000000000000     1.0000000000000000
           35   35       1.0000000000000000     1.0000000000000000
           36   36       1.0000000000000000     1.0000000000000000
           37   37       1.0000000000000000     1.0000000000000000
           38   38       1.0000000000000000     1.0000000000000000
           39   39       1.0000000000000000     1.0000000000000000
           40   40       1.0000000000000000     1.0000000000000000
    
    Elisa Rebolini's avatar
    Elisa Rebolini committed
           41   41       0.9999834981570659     0.9999825384211349
    
    Elisa Rebolini's avatar
    Elisa Rebolini committed
           42   41      -0.0000027784722501    -0.0000032414073832
    
    Elisa Rebolini's avatar
    Elisa Rebolini committed
           43   41      -0.0000122868401216     0.0000393130925017
           44   41       0.0000622531421298    -0.0001628594782526
           45   41       0.0000293125874331     0.0000339649982914
           46   41       0.0000287594875601     0.0000473788689581
    
    Elisa Rebolini's avatar
    Elisa Rebolini committed
           47   41       0.0000024294128456     0.0000036975548848
           48   41       0.0000051036582406     0.0000141320061919
           41   42      -0.0000027784722501    -0.0000032414073832
    
    Elisa Rebolini's avatar
    Elisa Rebolini committed
           42   42       0.9999895992163153     0.9999866384121034
           43   42      -0.0000499770387117    -0.0001059626691493
           44   42      -0.0000177059326642    -0.0002019348565552
           45   42      -0.0000034285958864     0.0000037360402271
           46   42       0.0000305267238768     0.0000460360390989
           47   42      -0.0000293077490112    -0.0000216609283154
           48   42      -0.0000417982611809    -0.0000354497550654
           41   43      -0.0000122868401216     0.0000393130925017
           42   43      -0.0000499770387117    -0.0001059626691493
           43   43       0.5000031769127881     0.5098366919211283
           44   43       0.0000016495468191    -0.0012263812796569
           45   43       0.0000050348122654     0.0000251270236560
           46   43       0.0000048140544153     0.0000157216503987
           47   43      -0.0000026306321059     0.0000073973943021
           48   43       0.0000011501976489    -0.0000890771076295
           41   44       0.0000622531421298    -0.0001628594782526
           42   44      -0.0000177059326642    -0.0002019348565552
           43   44       0.0000016495468191    -0.0012263812796569
           44   44       0.5000078489949225     0.4901758179719845
    
    Elisa Rebolini's avatar
    Elisa Rebolini committed
           45   44      -0.0000139754093712     0.0000405998683308
           46   44      -0.0000099302985476     0.0001630693573865
           47   44      -0.0000018128344144     0.0000617961347346
           48   44      -0.0000081333268696     0.0001287914757824
    
    Elisa Rebolini's avatar
    Elisa Rebolini committed
           41   45       0.0000293125874331     0.0000339649982914
           42   45      -0.0000034285958864     0.0000037360402271
           43   45       0.0000050348122654     0.0000251270236560
    
    Elisa Rebolini's avatar
    Elisa Rebolini committed
           44   45      -0.0000139754093712     0.0000405998683308
    
    Elisa Rebolini's avatar
    Elisa Rebolini committed
           45   45       0.0000038070005561     0.0000038432993194
    
    Elisa Rebolini's avatar
    Elisa Rebolini committed
           46   45       0.0000012259474954     0.0000008123422691
           47   45       0.0000009119982419     0.0000010422854413
           48   45       0.0000006785337964     0.0000004856472556
    
    Elisa Rebolini's avatar
    Elisa Rebolini committed
           41   46       0.0000287594875601     0.0000473788689581
           42   46       0.0000305267238768     0.0000460360390989
           43   46       0.0000048140544153     0.0000157216503987
    
    Elisa Rebolini's avatar
    Elisa Rebolini committed
           44   46      -0.0000099302985476     0.0001630693573865
           45   46       0.0000012259474954     0.0000008123422691
           46   46       0.0000069085116043     0.0000090541468962
           47   46      -0.0000009157150686    -0.0000018122088407
           48   46       0.0000011940445731     0.0000012263672119
           41   47       0.0000024294128456     0.0000036975548848
    
    Elisa Rebolini's avatar
    Elisa Rebolini committed
           42   47      -0.0000293077490112    -0.0000216609283154
           43   47      -0.0000026306321059     0.0000073973943021
    
    Elisa Rebolini's avatar
    Elisa Rebolini committed
           44   47      -0.0000018128344144     0.0000617961347346
           45   47       0.0000009119982419     0.0000010422854413
           46   47      -0.0000009157150686    -0.0000018122088407
           47   47       0.0000010679636819     0.0000014246051075
           48   47       0.0000009781250983     0.0000009387569843
           41   48       0.0000051036582406     0.0000141320061919
    
    Elisa Rebolini's avatar
    Elisa Rebolini committed
           42   48      -0.0000417982611809    -0.0000354497550654
           43   48       0.0000011501976489    -0.0000890771076295
    
    Elisa Rebolini's avatar
    Elisa Rebolini committed
           44   48      -0.0000081333268696     0.0001287914757824
           45   48       0.0000006785337964     0.0000004856472556
           46   48       0.0000011940445731     0.0000012263672119
           47   48       0.0000009781250983     0.0000009387569843
           48   48       0.0000040932430647     0.0000039912223269
     dens :                                                                        cuo.dens
    
    
    
      <<< End of prop code >>> 
    
    
    Elisa Rebolini's avatar
    Elisa Rebolini committed
     Calculation finished in CPUtime             0.01s Walltime:             0.01s
     Calculation finished on 03-02-2022 at 09:50