PTEROSOR/sfBSE
10
0
Fork 0
Code Issues Pull Requests Releases Wiki Activity

BSE and SF-BSE excitation energies cc-pVQZ

Browse Source
This commit is contained in:
EnzoMonino 2020-12-03 18:55:04 +01:00
parent 0072f6bdba
commit 7a8ccea3b8
21 changed files with 1420 additions and 1071 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

122
output/bse_eighth_excitation
View File

@ -1,51 +1,71 @@
28.104504 22.321993
27.103835 21.382116
26.001067 21.382116
24.490287 20.571496
23.059121 20.571496
21.805902 19.873241
20.733113 19.873241
19.815713 19.270758
19.236909 19.270758
19.459776 18.748326
19.750007 18.748326
20.073903 18.295028
20.404379 18.295028
20.719661 17.839636
21.003667 17.839636
21.246889 16.864123
21.446442 16.864123
21.604633 16.246453
21.726710 16.246453
21.818852 15.923683
21.887032 15.923683
21.936661 15.795415
21.972494 15.795415
21.998493 15.792771
22.017739 15.792771
22.032446 15.869428
22.044111 15.869428
22.053699 15.994383
22.061824 15.994383
22.068863 16.145149
22.075058 16.145149
22.080568 16.306395
22.085503 16.306395
22.089944 16.498966
22.093954 16.498966
22.097585 16.623678
22.100880 16.623678
22.103876 16.627377
22.106605 16.627377
22.109096 16.627377
22.111375 16.633204
22.113463 16.633204
22.115379 16.640046
22.117141 16.640046
22.118763 16.646670
22.120259 16.646670
22.121641 16.532052
22.122920 16.532052
22.124105 16.376855
22.125204 16.376855
22.126225 16.377229
16.377229
16.407680
16.407680
16.431739
16.431739
16.450529
16.450529
16.465153
16.465153
16.476610
16.476610
16.485730
16.485730
16.493155
16.493155
16.499352
16.499352
16.504644
16.504644
16.509256

122
output/bse_fifth_excitation
View File

@ -1,51 +1,71 @@
23.392657 19.245772
22.359291 18.209609
21.490887 18.209609
20.275114 17.330368
19.008742 17.330368
17.951784 16.588851
17.076574 16.588851
16.346680 15.966304
16.362830 15.966304
16.474384 15.449510
16.673516 15.449510
16.939711 15.013981
17.247319 15.013981
17.577762 14.657456
17.917309 14.657456
18.261914 14.572057
18.602492 14.572057
18.919135 14.623553
19.176762 14.623553
19.303773 14.736410
19.305614 14.736410
19.286232 14.881535
19.275725 14.881535
19.294152 15.041103
19.340861 15.041103
19.418589 15.204246
19.524947 15.204246
19.657533 15.363726
19.810349 15.363726
19.977039 15.514387
20.151242 15.514387
20.327160 15.654834
20.499890 15.654834
20.665591 15.783363
20.821541 15.783363
20.966087 15.899082
21.098506 15.899082
21.218825 16.002020
21.327633 16.002020
21.425886 16.002020
21.514770 16.092284
21.595541 16.092284
21.669434 16.170482
21.737582 16.170482
21.800959 16.122862
21.860342 16.122862
21.916281 16.011192
21.969017 16.011192
22.018201 15.906823
22.061650 15.906823
22.091861 15.814168
15.814168
15.747417
15.747417
15.713388
15.713388
15.708928
15.708928
15.728486
15.728486
15.758861
15.758861
15.794364
15.794364
15.841378
15.841378
15.898057
15.898057
15.960583
15.960583
16.026501

122
output/bse_first_excitation
View File

@ -1,51 +1,71 @@
14.357388 14.341586
12.840868 12.839047
11.368440 12.839047
9.955966 11.386414
8.620341 11.386414
7.373723 9.991937
6.226553 9.991937
5.183574 8.664235
5.135610 8.664235
5.384357 7.421610
5.713613 7.421610
6.076554 6.277424
6.443339 6.277424
6.796901 5.235828
7.128167 5.235828
7.434154 5.182132
7.714593 5.182132
7.970831 5.430799
8.205022 5.430799
8.419930 5.753084
8.618721 5.753084
8.803874 6.104328
8.977315 6.104328
9.140807 6.455803
9.295770 6.455803
9.443358 6.792024
9.584454 6.792024
9.719725 7.105186
9.849699 7.105186
9.974753 7.392386
10.095160 7.392386
10.211116 7.654282
10.322751 7.654282
10.430154 7.892770
10.533384 7.892770
10.632483 8.110581
10.727490 8.110581
10.818450 8.310303
10.905420 8.310303
10.988472 8.310303
11.067711 8.494407
11.143255 8.494407
11.215245 8.665348
11.283843 8.665348
11.349222 8.825175
11.411567 8.825175
11.471063 8.975638
11.527897 8.975638
11.582248 9.118012
11.634290 9.118012
11.684183 9.253356
9.253356
9.382767
9.382767
9.507297
9.507297
9.627708
9.627708
9.744473
9.744473
9.857890
9.857890
9.968133
9.968133
10.075301
10.075301
10.179446
10.179446
10.280592
10.280592
10.378737

122
output/bse_fourth_excitation
View File

@ -1,51 +1,71 @@
19.013399 17.699002
18.373494 16.956720
17.831678 16.956720
17.374787 16.334876
16.994858 16.334876
16.680091 15.811894
16.413617 15.811894
16.180912 15.364959
15.603981 15.364959
15.287355 14.981936
15.104773 14.981936
14.997894 14.654160
14.932701 14.654160
14.890292 14.372488
14.861804 14.372488
14.845928 13.969314
14.842011 13.969314
14.845736 13.687336
14.852467 13.687336
14.856045 13.512163
14.851396 13.512163
14.836633 13.403889
14.810880 13.403889
14.776369 13.334834
14.734993 13.334834
14.689710 13.291984
14.642981 13.291984
14.595698 13.268264
14.550174 13.268264
14.507375 13.257468
14.468027 13.257468
14.432623 13.255136
14.401496 13.255136
14.374793 13.254326
14.352456 13.254326
14.334280 13.253907
14.319955 13.253907
14.309084 13.253430
14.301207 13.253430
14.295832 13.253430
14.292463 13.253195
14.290634 13.253195
14.289924 13.255862
14.289975 13.255862
14.290500 13.259895
14.291278 13.259895
14.292151 13.263804
14.293013 13.263804
14.293801 13.264994
14.294483 13.264994
14.295050 13.261147
13.261147
13.250651
13.250651
13.233419
13.233419
13.210290
13.210290
13.182824
13.182824
13.152800
13.152800
13.121820
13.121820
13.091239
13.091239
13.062002
13.062002
13.034792
13.034792
13.009723

122
output/bse_ninth_excitation
View File

@ -1,51 +1,71 @@
28.104504 22.803037
27.103835 21.382116
26.222241 21.382116
25.458190 20.571496
24.806870 20.571496
24.260247 19.873241
23.807895 19.873241
23.438266 19.270758
22.995786 19.270758
22.689984 18.748326
22.503041 18.748326
22.397326 18.295028
22.344998 18.295028
22.324839 17.904911
22.235238 17.904911
21.898516 17.482642
21.623274 17.482642
21.604633 17.181177
21.726710 17.181177
21.818852 16.979570
21.887032 16.979570
22.092642 16.845016
22.297015 16.845016
22.284687 16.756263
22.272316 16.756263
22.260531 16.698897
22.249688 16.698897
22.239918 16.662705
22.231221 16.662705
22.223518 16.640602
22.216701 16.640602
22.210660 16.628407
22.205290 16.628407
22.200499 16.623568
22.196210 16.623568
22.192356 16.623678
22.188881 16.623678
22.185738 16.627377
22.182888 16.627377
22.180294 16.627377
22.177932 16.633204
22.175773 16.633204
22.164263 16.640046
22.149220 16.640046
22.138553 16.646670
22.131383 16.646670
22.127035 16.652123
22.125136 16.652123
22.125907 16.656341
22.131414 16.656341
22.149062 16.658806
16.658806
16.659336
16.659336
16.657990
16.657990
16.655048
16.655048
16.650931
16.650931
16.646095
16.646095
16.640940
16.640940
16.635768
16.635768
16.630777
16.630777
16.626078
16.626078
16.621723

122
output/bse_second_excitation
View File

@ -1,51 +1,71 @@
16.205222 15.535266
15.326925 14.766536
14.361373 14.766536
13.479102 14.107831
12.674458 14.107831
11.941406 13.236480
11.275615 13.236480
10.674564 12.444179
9.589471 12.444179
8.814707 11.722369
8.347817 11.722369
8.095343 11.067720
7.988922 11.067720
7.979635 10.477329
8.033603 10.477329
8.127729 9.469594
8.246364 9.469594
8.378966 8.742688
8.518409 8.742688
8.660551 8.298790
8.803686 8.298790
8.946236 8.054290
9.087038 8.054290
9.225498 7.945748
9.361299 7.945748
9.494232 7.928221
9.624123 7.928221
9.750822 7.969745
9.874214 7.969745
9.994190 8.048635
10.110657 8.048635
10.223529 8.150834
10.332730 8.150834
10.438195 8.267106
10.539868 8.267106
10.637708 8.391394
10.731691 8.391394
10.821816 8.519693
10.908104 8.519693
10.990601 8.519693
11.069389 8.649461
11.144569 8.649461
11.216266 8.779187
11.284631 8.779187
11.349826 8.908013
11.412026 8.908013
11.471410 9.035316
11.528157 9.035316
11.582442 9.160463
11.634432 9.160463
11.684288 9.283046
9.283046
9.403152
9.403152
9.521062
9.521062
9.636891
9.636891
9.750581
9.750581
9.861991
9.861991
9.970975
9.970975
10.077396
10.077396
10.181124
10.181124
10.282053
10.282053
10.380091

122
output/bse_seventh_excitation
View File

@ -1,51 +1,71 @@
24.954238 22.321993
23.341571 21.249194
21.743950 21.249194
20.775376 19.730951
20.199404 19.730951
19.748589 18.415130
19.407899 18.415130
19.162688 17.285029
19.236909 17.285029
19.459776 16.330053
19.750007 16.330053
20.073903 15.535744
20.404379 15.535744
20.719661 14.870477
21.003667 14.870477
21.246889 14.679622
21.446442 14.679622
21.416915 14.706249
21.303054 14.706249
21.372241 14.835157
21.669534 14.835157
21.936661 15.029193
21.972494 15.029193
21.998493 15.258587
22.017739 15.258587
22.032446 15.506048
22.044111 15.506048
22.053699 15.760861
22.061824 15.760861
22.068863 16.013698
22.075058 16.013698
22.080568 16.261109
22.085503 16.261109
22.089944 16.455925
22.093954 16.455925
22.097585 16.548012
22.100880 16.548012
22.103876 16.512743
22.106605 16.512743
22.109096 16.512743
22.111375 16.387229
22.113463 16.387229
22.115379 16.248386
22.117141 16.248386
22.118763 16.237110
22.120259 16.237110
22.121641 16.292885
22.122920 16.292885
22.124105 16.339304
22.125204 16.339304
22.126225 16.377229
16.377229
16.407680
16.407680
16.431739
16.431739
16.450529
16.450529
16.465153
16.465153
16.476610
16.476610
16.485730
16.485730
16.493155
16.493155
16.499352
16.499352
16.504644
16.504644
16.509256

122
output/bse_sixth_excitation
View File

@ -1,51 +1,71 @@
23.392657 19.245772
22.359291 18.209609
21.490887 18.209609
20.775376 17.330368
20.199404 17.330368
19.748589 16.588851
19.407899 16.588851
19.162688 15.966304
18.770376 15.966304
18.126034 15.449510
17.805314 15.449510
17.704212 15.013981
17.752709 15.013981
17.902416 14.657456
18.120975 14.657456
18.387777 14.572057
18.683113 14.572057
18.973677 14.623553
19.199734 14.623553
19.340646 14.736410
19.409803 14.736410
19.432791 14.881535
19.442670 14.881535
19.467025 15.041103
19.512478 15.041103
19.584880 15.204246
19.683751 15.204246
19.807501 15.363726
19.950748 15.363726
20.107435 15.514387
20.271374 15.514387
20.436889 15.654834
20.599196 15.654834
20.754582 15.783363
20.900461 15.783363
21.035315 15.899082
21.158548 15.899082
21.270308 16.002020
21.371280 16.002020
21.462503 16.002020
21.545211 16.092284
21.620684 16.092284
21.690146 16.170482
21.754696 16.170482
21.815260 16.237110
21.872576 16.237110
21.927201 16.292885
21.979516 16.292885
22.029737 16.339304
22.077837 16.339304
22.123097 16.240825
16.240825
16.137213
16.137213
16.071063
16.071063
16.038146
16.038146
16.032520
16.032520
16.040822
16.040822
16.057027
16.057027
16.086996
16.086996
16.128529
16.128529
16.177464
16.177464
16.231034

122
output/bse_tenth_excitation
View File

@ -1,51 +1,71 @@
28.701278 25.822425
27.446669 24.557219
26.222241 24.557219
25.458190 23.131806
24.806870 23.131806
24.260247 21.810598
23.807895 21.810598
23.438266 20.624284
22.995786 20.624284
22.689984 19.569163
22.503041 19.569163
22.397326 18.645184
22.344998 18.645184
22.324839 17.904911
22.321319 17.904911
22.324184 17.482642
22.327751 17.482642
22.329513 17.181177
22.328603 17.181177
22.270384 16.979570
22.317904 16.979570
22.308409 16.845016
22.297015 16.845016
22.284687 16.756263
22.272316 16.756263
22.260531 16.698897
22.249688 16.698897
22.239918 16.662705
22.231221 16.662705
22.223518 16.640602
22.216701 16.640602
22.210660 16.628407
22.205290 16.628407
22.200499 16.623568
22.196210 16.623568
22.192356 16.726218
22.188881 16.726218
22.185738 16.941381
22.182888 16.941381
22.180294 16.941381
22.177932 17.068920
22.175773 17.068920
22.173796 16.888673
22.171982 16.888673
22.170315 16.700868
22.168780 16.700868
22.167363 16.652123
22.166055 16.652123
22.164844 16.656341
22.163721 16.656341
22.162680 16.658806
16.658806
16.659336
16.659336
16.657990
16.657990
16.655048
16.655048
16.650931
16.650931
16.646095
16.646095
16.640940
16.640940
16.635768
16.635768
16.630777
16.630777
16.626078
16.626078
16.621723

122
output/bse_third_excitation
View File

@ -1,51 +1,71 @@
16.381867 16.135246
15.514272 15.072529
14.937943 15.072529
14.459871 14.120362
14.071686 14.120362
13.766696 13.591130
13.510584 13.591130
13.305218 13.125508
13.404253 13.125508
13.560208 12.733267
13.726749 12.733267
13.886609 12.409825
14.029581 12.409825
14.153115 12.132310
14.261179 12.132310
14.360336 12.139163
14.455365 12.139163
14.543566 12.211158
14.620085 12.211158
14.678810 12.299942
14.716058 12.299942
14.731951 12.394627
14.728210 12.394627
14.709619 12.482042
14.680032 12.482042
14.643796 12.563446
14.604271 12.563446
14.562919 12.640608
14.522412 12.640608
14.483930 12.713735
14.448328 12.713735
14.416179 12.783254
14.387873 12.783254
14.363599 12.845186
14.343337 12.845186
14.326917 12.900623
14.314063 12.900623
14.304412 12.950669
14.297535 12.950669
14.292970 12.950669
14.290253 12.996632
14.288940 12.996632
14.288636 13.041567
14.289004 13.041567
14.289773 13.084241
14.290738 13.084241
14.291752 13.122686
14.292720 13.122686
14.293588 13.153591
14.294329 13.153591
14.294939 13.174194
13.174194
13.183065
13.183065
13.180738
13.180738
13.168866
13.168866
13.149844
13.149844
13.126211
13.126211
13.100159
13.100159
13.073450
13.073450
13.047318
13.047318
13.022645
13.022645
12.999677

51
output/seq
View File

@ -1,51 +0,0 @@
0.5
0.6
0.7
0.8
0.9
1
1.1
1.2
1.3
1.4
1.5
1.6
1.7
1.8
1.9
2
2.1
2.2
2.3
2.4
2.5
2.6
2.7
2.8
2.9
3
3.1
3.2
3.3
3.4
3.5
3.6
3.7
3.8
3.9
4
4.1
4.2
4.3
4.4
4.5
4.6
4.7
4.8
4.9
5
5.1
5.2
5.3
5.4
5.5

122
output/sf_bse_eighth_excitation
View File

@ -1,51 +1,71 @@
23.352017 15.446659
21.712869 15.653897
19.259486 15.653897
17.432901 15.838638
15.905450 15.838638
14.588752 15.790423
15.297551 15.790423
16.058192 15.121216
16.784580 15.121216
17.460010 14.145077
18.059380 14.145077
18.641616 13.225320
19.182056 13.225320
19.296938 12.376624
19.271204 12.376624
19.330060 11.856633
19.465607 11.856633
19.617590 12.424557
19.650191 12.424557
19.721382 12.940256
19.685520 12.940256
19.622565 13.406925
19.540511 13.406925
19.496120 13.828715
19.511407 13.828715
19.546090 14.205866
19.596667 14.205866
19.701011 14.542497
19.835501 14.542497
19.993897 14.842459
20.165191 14.842459
20.294785 15.106043
20.454281 15.106043
20.595060 15.334868
20.734196 15.334868
20.867106 15.530556
20.991321 15.530556
21.105851 15.696301
21.210430 15.696301
21.305078 15.696301
21.389772 15.834938
21.464136 15.834938
21.527142 15.946627
21.577225 15.946627
21.613318 16.035869
21.635961 16.035869
21.648785 16.105621
21.655660 16.105621
21.659277 16.158815
21.661174 16.158815
21.662170 16.114560
16.114560
16.008438
16.008438
15.930418
15.930418
15.879807
15.879807
15.854384
15.854384
15.848924
15.848924
15.858947
15.858947
15.881186
15.881186
15.911592
15.911592
15.948564
15.948564
15.989954

122
output/sf_bse_fifth_excitation
View File

@ -1,51 +1,71 @@
10.890437 6.301142
11.447942 6.877429
12.029275 6.877429
12.046706 7.561862
12.128444 7.561862
12.287498 8.312548
13.061207 8.312548
12.582812 9.085850
11.930627 9.085850
11.554389 9.844680
11.679102 9.844680
12.054902 10.567777
12.443983 10.567777
12.786488 11.043257
13.074502 11.043257
13.311815 11.258615
13.507262 11.258615
13.611329 11.129269
13.683371 11.129269
13.746910 10.778265
13.797180 10.778265
13.824833 10.742337
13.839266 10.742337
13.840489 10.951021
13.830400 10.951021
13.810835 11.220526
13.773505 11.220526
13.734288 11.481443
13.699392 11.481443
13.664317 11.713768
13.629069 11.713768
13.600147 11.910170
13.571940 11.910170
13.546688 12.069879
13.524529 12.069879
13.505204 12.193432
13.488503 12.193432
13.474225 12.291007
13.462148 12.291007
13.452038 12.291007
13.443659 12.351276
13.436778 12.351276
13.431175 12.385753
13.426650 12.385753
13.423017 12.417313
13.420092 12.417313
13.417811 12.442824
13.416012 12.442824
13.414600 12.464015
13.413508 12.464015
13.412667 12.479113
12.479113
12.488203
12.488203
12.490217
12.490217
12.485675
12.485675
12.472459
12.472459
12.455511
12.455511
12.435705
12.435705
12.414332
12.414332
12.392458
12.392458
12.370801
12.370801
12.349793

122
output/sf_bse_first_excitation
View File

@ -1,51 +1,71 @@
-14.106857 -13.951375
-12.525415 -12.390592
-10.943727 -12.390592
-9.408812 -10.829388
-7.970835 -10.829388
-6.662207 -9.310290
-5.488319 -9.310290
-4.473468 -7.882442
-3.589029 -7.882442
-2.828659 -6.579463
-2.181969 -6.579463
-1.638271 -5.417306
-1.185141 -5.417306
-0.812001 -4.398921
-0.508291 -4.398921
-0.264561 -3.514845
-0.071006 -3.514845
0.080057 -2.754505
0.196975 -2.754505
0.286965 -2.110791
0.356053 -2.110791
0.407656 -1.568053
0.447683 -1.568053
0.478614 -1.114619
0.502537 -1.114619
0.520760 -0.741126
0.534118 -0.741126
0.544149 -0.435012
0.552532 -0.435012
0.558450 -0.188121
0.562279 -0.188121
0.566138 0.007435
0.568646 0.007435
0.570640 0.161736
0.572282 0.161736
0.573629 0.282054
0.574731 0.282054
0.575634 0.375754
0.576371 0.375754
0.576971 0.375754
0.577456 0.447041
0.577843 0.447041
0.578150 0.500519
0.578389 0.500519
0.578571 0.540435
0.578700 0.540435
0.578805 0.568991
0.578881 0.568991
0.578934 0.589796
0.578973 0.589796
0.579000 0.604823
0.604823
0.616422
0.616422
0.625809
0.625809
0.633843
0.633843
0.639752
0.639752
0.644897
0.644897
0.649144
0.649144
0.652599
0.652599
0.655398
0.655398
0.657667
0.657667
0.659509

122
output/sf_bse_fourth_excitation
View File

@ -1,51 +1,71 @@
2.845946 2.257001
3.684953 2.815452
4.601250 2.815452
5.562586 3.639872
6.535550 3.639872
7.485119 4.513440
8.385595 4.513440
9.175264 5.401511
9.834262 5.401511
10.235605 6.269808
10.177603 6.269808
9.891729 7.089872
9.609972 7.089872
9.376146 7.842561
9.203177 7.842561
9.085348 8.507770
9.016389 8.507770
8.988412 9.066242
8.994421 9.066242
9.027955 9.443444
9.083294 9.443444
9.155511 9.536449
9.240949 9.536449
9.336486 9.405113
9.439431 9.405113
9.547260 9.226722
9.658006 9.226722
9.770480 9.075121
9.883619 9.075121
9.996159 8.963884
10.107338 8.963884
10.216778 8.892821
10.323793 8.892821
10.428058 8.859464
10.529549 8.859464
10.627960 8.858121
10.722618 8.858121
10.813488 8.883439
10.900566 8.883439
10.983873 8.883439
11.063463 8.929721
11.139419 8.929721
11.211851 8.992442
11.280896 8.992442
11.346707 9.067831
11.409455 9.067831
11.469317 9.152391
11.526475 9.152391
11.581106 9.243480
11.633384 9.243480
11.683475 9.338998
9.338998
9.437781
9.437781
9.539098
9.539098
9.642294
9.642294
9.746383
9.746383
9.852011
9.852011
9.958897
9.958897
10.063540
10.063540
10.165779
10.165779
10.265494
10.265494
10.362578

122
output/sf_bse_ninth_excitation
View File

@ -1,51 +1,71 @@
23.473556 16.582112
23.607774 16.699057
21.949722 16.699057
20.665570 16.412408
19.729120 16.412408
19.046187 16.808714
18.654098 16.808714
18.340759 17.148613
18.176275 17.148613
18.119893 17.369991
18.143408 17.369991
18.641616 17.243970
19.182056 17.243970
19.672569 16.830625
20.106191 16.830625
20.433504 16.547629
20.248597 16.547629
20.198561 16.370354
20.382710 16.370354
20.803087 16.265763
21.304675 16.265763
21.516497 16.227977
21.564157 16.227977
21.596564 16.242572
21.618417 16.242572
21.633089 16.298558
21.642929 16.298558
21.649540 16.387659
21.653997 16.387659
21.657015 16.346846
21.659068 16.346846
21.660471 16.311192
21.661433 16.311192
21.662092 16.287444
21.662544 16.287444
21.662851 16.272808
21.663058 16.272808
21.663196 16.224700
21.663285 16.224700
21.663340 16.224700
21.663372 16.092509
21.663387 16.092509
21.663392 15.975326
21.663390 15.975326
21.663384 16.035869
21.663375 16.035869
21.663365 16.105621
21.663354 16.105621
21.663343 16.158815
21.663333 16.158815
21.663323 16.198438
16.198438
16.227273
16.227273
16.247791
16.247791
16.262085
16.262085
16.271852
16.271852
16.278411
16.278411
16.282750
16.282750
16.285584
16.285584
16.287416
16.287416
16.288590
16.288590
16.289337

122
output/sf_bse_second_excitation
View File

@ -1,51 +1,71 @@
0.504542 0.658750
0.621777 0.701054
0.459012 0.701054
0.527536 0.502741
0.575735 0.502741
0.596239 0.586573
0.679948 0.586573
0.621112 0.636382
0.616845 0.636382
0.615848 0.668755
0.613183 0.668755
0.608460 0.701601
0.603563 0.701601
0.598667 0.695704
0.593766 0.695704
0.588403 0.700268
0.583405 0.700268
0.578380 0.703736
0.573829 0.703736
0.570217 0.699677
0.567787 0.699677
0.564814 0.695766
0.563715 0.695766
0.563832 0.692762
0.564753 0.692762
0.565793 0.687480
0.566504 0.687480
0.567271 0.684080
0.568860 0.684080
0.569903 0.680696
0.570264 0.680696
0.571594 0.676342
0.572352 0.676342
0.573121 0.672717
0.573920 0.672717
0.574691 0.669508
0.575407 0.669508
0.576054 0.667674
0.576625 0.667674
0.577119 0.667674
0.577538 0.665477
0.577885 0.665477
0.578169 0.662969
0.578396 0.662969
0.578575 0.660663
0.578705 0.660663
0.578811 0.657509
0.578887 0.657509
0.578940 0.654779
0.578978 0.654779
0.579004 0.652357
0.652357
0.651039
0.651039
0.650857
0.650857
0.651845
0.651845
0.652527
0.652527
0.653882
0.653882
0.655388
0.655388
0.656874
0.656874
0.658270
0.658270
0.659547
0.659547
0.660699

122
output/sf_bse_seventh_excitation
View File

@ -1,51 +1,71 @@
12.026586 9.598791
12.608079 10.311718
12.130564 10.311718
12.890942 9.741441
13.694742 9.741441
14.504750 9.947853
15.297551 9.947853
16.058192 10.221766
16.784580 10.221766
17.460010 10.527582
18.059380 10.527582
18.227851 10.897985
18.360299 10.897985
18.523568 11.242402
18.720691 11.242402
18.949470 11.856633
19.203581 11.856633
19.456683 12.424557
19.634627 12.424557
19.565449 12.940256
19.495831 12.940256
19.461981 13.406925
19.418970 13.406925
19.416853 13.828715
19.468274 13.828715
19.529828 14.205866
19.593637 14.205866
19.685262 14.542497
19.812478 14.542497
19.967616 14.842459
20.138343 14.842459
20.269276 15.106043
20.431173 15.106043
20.574985 15.334868
20.717290 15.334868
20.853257 15.530556
20.980282 15.530556
21.097312 15.696301
21.204066 15.696301
21.300577 15.696301
21.386845 15.834938
21.462510 15.834938
21.526536 15.946627
21.577147 15.946627
21.612934 15.882289
21.635567 15.882289
21.648497 15.816506
21.655479 15.816506
21.659171 15.771467
21.661113 15.771467
21.662134 15.741568
15.741568
15.723125
15.723125
15.716338
15.716338
15.721603
15.721603
15.739062
15.739062
15.765842
15.765842
15.799686
15.799686
15.839248
15.839248
15.882100
15.882100
15.927896
15.927896
15.975475

122
output/sf_bse_sixth_excitation
View File

@ -1,51 +1,71 @@
10.890437 6.301142
11.447942 6.877429
12.130564 6.877429
12.890942 7.561862
13.694742 7.561862
14.504750 8.312548
13.591200 8.312548
12.640706 9.085850
12.679913 9.085850
12.813176 9.844680
12.939325 9.844680
13.055470 10.567777
13.164266 10.567777
13.266066 11.242402
13.359685 11.242402
13.446692 11.670610
13.531703 11.670610
13.660720 11.448464
13.774467 11.448464
13.851879 11.603120
13.895853 11.603120
13.906376 11.735465
13.898460 11.735465
13.877131 11.848579
13.847501 11.848579
13.812534 11.941011
13.783400 11.941011
13.751864 12.024500
13.721278 12.024500
13.688082 12.098506
13.652926 12.098506
13.622849 12.163096
13.592721 12.163096
13.565164 12.219823
13.540567 12.219823
13.518853 12.267412
13.499927 12.267412
13.483647 12.312277
13.469817 12.312277
13.458206 12.312277
13.448563 12.366332
13.440636 12.366332
13.434179 12.424577
13.428966 12.424577
13.424786 12.470052
13.421429 12.470052
13.418813 12.502113
13.416756 12.502113
13.415147 12.523656
13.413906 12.523656
13.412954 12.534759
12.534759
12.536990
12.536990
12.530783
12.530783
12.517826
12.517826
12.497113
12.497113
12.473721
12.473721
12.448720
12.448720
12.423347
12.423347
12.398507
12.398507
12.374730
12.374730
12.352264

122
output/sf_bse_tenth_excitation
View File

@ -1,51 +1,71 @@
23.473556 16.582112
24.054885 16.699057
24.654728 16.699057
23.668119 16.412408
23.395342 16.412408
23.029991 16.808714
22.693924 16.808714
21.587741 17.148613
20.827399 17.148613
20.301669 17.369991
19.901314 17.369991
19.606706 17.532428
19.415775 17.532428
19.672569 17.464470
20.106191 17.464470
20.477224 17.051960
20.783119 17.051960
21.025847 16.917257
21.211468 16.917257
21.348725 16.783804
21.447329 16.783804
21.516497 16.659554
21.564157 16.659554
21.596564 16.554407
21.618417 16.554407
21.633089 16.466309
21.642929 16.466309
21.649540 16.396947
21.653997 16.396947
21.657015 16.346846
21.659068 16.346846
21.660471 16.311192
21.661433 16.311192
21.662092 16.287444
21.662544 16.287444
21.662851 16.272808
21.663058 16.272808
21.663196 16.266504
21.663285 16.266504
21.663340 16.266504
21.663372 16.266523
21.663387 16.266523
21.663392 16.268365
21.663390 16.268365
21.663384 16.271981
21.663375 16.271981
21.663365 16.276134
21.663354 16.276134
21.663343 16.247637
21.663333 16.247637
21.663323 16.198438
16.198438
16.227273
16.227273
16.247791
16.247791
16.262085
16.262085
16.271852
16.271852
16.278411
16.278411
16.282750
16.282750
16.285584
16.285584
16.287416
16.287416
16.288590
16.288590
16.289337

122
output/sf_bse_third_excitation
View File

@ -1,51 +1,71 @@
2.087215 2.074277
2.693937 2.562185
3.135106 2.562185
3.801533 2.929564
4.441722 2.929564
5.010703 3.609802
5.526006 3.609802
5.971855 4.258867
6.349393 4.258867
6.677115 4.854882
6.961850 4.854882
7.212783 5.385585
7.438587 5.385585
7.642005 5.846702
7.831642 5.846702
8.010512 6.241441
8.181325 6.241441
8.345218 6.581422
8.502870 6.581422
8.655632 6.872804
8.803655 6.872804
8.947510 7.127674
9.087262 7.127674
9.223951 7.352866
9.357916 7.352866
9.488909 7.555250
9.616902 7.555250
9.742124 7.739841
9.864524 7.739841
9.983782 7.910956
10.099755 7.910956
10.212464 8.071944
10.321720 8.071944
10.427441 8.224943
10.529265 8.224943
10.627165 8.371376
10.721574 8.371376
10.812370 8.513080
10.899479 8.513080
10.982879 8.513080
11.062590 8.650564
11.138676 8.650564
11.211234 8.784293
11.280392 8.784293
11.346303 8.914733
11.409135 8.914733
11.469067 9.042022
11.526281 9.042022
11.580957 9.166039
11.633271 9.166039
11.683390 9.286722
9.286722
9.404287
9.404287
9.519262
9.519262
9.632152
9.632152
9.743043
9.743043
9.850747
9.850747
9.954625
9.954625
10.057424
10.057424
10.158664
10.158664
10.257981
10.257981
10.355084