feffit 0.1.0

#source crates/feffdat/tests/data/feff0003.dat
#have_scipy 1
#param degen 48.0
#param s02 1.0
#param e0 0.0
#param ei 0.0
#param deltar 0.0
#param sigma2 0.0
#param third 0.0
#param fourth 0.0
#scalar reff 3.8218
#scalar nleg 3
#scalar file_degen 48.0
#scalar n_kgrid 59
#scalar dat_k_first 0.0
#scalar dat_k_last 20.0
#scalar dat_pha_first 2.2337
#scalar dat_amp_last 0.0024835098
#columns k chi_lin chi_cubic
#data
0.0 0.11816141896331513 0.12160574097001071
0.05 0.11730295376318482 0.11902511476653262
0.1 0.11644448856305452 0.11644448856305452
0.15000000000000002 0.11083057917117295 0.11233777299334141
0.2 0.10672087967790764 0.10672087967790761
0.25 0.09834042115827092 0.09965633547836479
0.30000000000000004 0.09131138912706245 0.09131138912706242
0.35000000000000003 0.08078898102171077 0.08184956152584649
0.4 0.07147433981166697 0.07147433981166697
0.45 0.05958435866364195 0.06039377604935784
0.5 0.048838598095519915 0.04883859809551991
0.55 0.03645747920509456 0.037045655765557295
0.6000000000000001 0.025264913357589885 0.025264913357589885
0.65 0.013333608675010144 0.013745938871340686
0.7000000000000001 0.0027310953376452163 0.0027310953376452154
0.75 -0.007829161320561913 -0.0075448833748308335
0.8 -0.016862059371877264 -0.016862059371877226
0.8500000000000001 -0.025206363049422587 -0.02501591041992579
0.9 -0.031826263227823094 -0.031826263227823066
0.9500000000000001 -0.037261564918810705 -0.03714372775759214
1.0 -0.04085059303890068 -0.04085059303890068
1.05 -0.042924921515514955 -0.04286643544223855
1.1 -0.04317333824211816 -0.04317333824211816
1.1500000000000001 -0.041821335298259626 -0.04181356950656927
1.2000000000000002 -0.03888444465601681 -0.03888444465601679
1.25 -0.03448793265465581 -0.034541396449724586
1.3 -0.02900088118003753 -0.02900088118003753
1.35 -0.022430783051836795 -0.022541403438090194
1.4000000000000001 -0.015506565482643274 -0.015506565482643318
1.4500000000000002 -0.008114550291671492 -0.008271091583272869
1.5 -0.001230635405812634 -0.001230635405812634
1.55 0.005396922005410725 0.005227387255280956
1.6 0.010720747224094666 0.010720747224094666
1.6500000000000001 0.01509285916320192 0.014932710425555993
1.7000000000000002 0.017623770227587387 0.017623770227587387
1.75 0.018785884518880837 0.018655081068108825
1.8 0.017932588754486906 0.017932588754486913
1.85 0.015693213083441116 0.015529511577235559
1.9000000000000001 0.011736847596693635 0.011736847596693635
1.9500000000000002 0.0068625719445397524 0.006802203933213345
2.0 0.0010228982447116253 0.0010228982447116634
2.0500000000000003 -0.004853287350382109 -0.004843664953972851
2.1 -0.010711367228511558 -0.010233531957920048
2.15 -0.016063628235627764 -0.01527809663460673
2.2 -0.02044655499374834 -0.020446554993748336
2.25 -0.026548403738863594 -0.02558653268159826
2.3000000000000003 -0.029807588557243313 -0.028932943375259094
2.35 -0.029271812386182584 -0.028684254820477973
2.4000000000000004 -0.024797415880166068 -0.02479741588016605
2.45 -0.020232178942296508 -0.019077817037345495
2.5 -0.013717693721950633 -0.012620839713630986
2.5500000000000003 -0.0059456514237427585 -0.005491535287952592
2.6 0.002233321274779517 0.0022333212747794647
2.6500000000000004 0.009522125163476265 0.009850260327305706
2.7 0.016123679670597607 0.016535009086208446
2.75 0.02158871325670749 0.021815290746038184
2.8000000000000003 0.02555907726326207 0.025559077263262044
2.85 0.02800020285063612 0.027819192286560566
2.9000000000000004 0.028717780220211615 0.028514564238038765
2.95 0.02769048958250988 0.027567937271119804
3.0 0.02500643760836828 0.02500643760836828
3.0500000000000003 0.020988959316055322 0.021006234688804366
3.1 0.015869133329300174 0.01587845261468151
3.1500000000000004 0.009951446052600846 0.009959349941923046
3.2 0.0035794273446901176 0.0035794273446901163
3.25 -0.002990101581400656 -0.0029299653356441298
3.3000000000000003 -0.00927591912611018 -0.009200951321009015
3.35 -0.014922500708969583 -0.014870529970398585
3.4000000000000004 -0.019616472479154 -0.019616472479154
3.45 -0.023210576591667285 -0.023180232793688544
3.5 -0.025388859875572635 -0.025368865569850574
3.5500000000000003 -0.02603581287566036 -0.026042951909223667
3.6 -0.025127293369238243 -0.025127293369238243
3.6500000000000004 -0.022584865454621537 -0.022634310547252075
3.7 -0.018626055868872476 -0.01870393331771746
3.75 -0.013520159032943091 -0.013584749886547277
3.8000000000000003 -0.007606553282657806 -0.0076065532826578046
3.85 -0.0011041536039839903 -0.0011516154503506619
3.9000000000000004 0.005419150313511899 0.005364837390713733
3.95 0.011522152074621454 0.011496491466288464
4.0 0.016795692440579796 0.01679569244057986
4.05 0.020869180766992786 0.020862095798326378
4.1000000000000005 0.023403504911552943 0.023408445736957346
4.15 0.024246687863880168 0.024263410904504776
4.2 0.023369096358850296 0.023369096358850296
4.25 0.020734452972504976 0.020777461472744632
4.3 0.0165692374133833 0.016653135727779333
4.3500000000000005 0.011220656581215745 0.011294385527891542
4.4 0.005120273540319032 0.005120273540319116
4.45 -0.0014371546384346955 -0.0013661851999660982
4.5 -0.007715985753901099 -0.007635622773162925
4.55 -0.013213366037562319 -0.013170296930949418
4.6000000000000005 -0.01750294619058092 -0.017502946190581
4.65 -0.020249095287400588 -0.020257459272685994
4.7 -0.021169584963480037 -0.021197416599866202
4.75 -0.020249579694988896 -0.02027467032447909
4.800000000000001 -0.017635297553227267 -0.017635297553227233
4.8500000000000005 -0.01357631840652604 -0.01358998921947854
4.9 -0.008514612867026568 -0.008546363524855048
4.95 -0.002934562352882722 -0.0029684623181722453
5.0 0.0026534997894712806 0.0026534997894712806
5.050000000000001 0.007890930044028983 0.007832394533474625
5.1000000000000005 0.012168081989506325 0.012110062876673721
5.15 0.01513502707700619 0.015110030177275679
5.2 0.016580782171939572 0.016580782171939576
5.25 0.016422099300860003 0.016425625908317813
5.300000000000001 0.014718687213259852 0.014723186946892662
5.3500000000000005 0.011719043853126202 0.011718633770879255
5.4 0.007785863738305481 0.007785863738305431
5.45 0.00335646545829118 0.003368501722627209
5.5 -0.0011264770628773644 -0.0010937755895077995
5.550000000000001 -0.005225244203942357 -0.005191499438001975
5.6000000000000005 -0.00856565019556707 -0.008565650195567107
5.65 -0.010952966960284019 -0.010926088116851581
5.7 -0.012094924878603322 -0.012073813034582801
5.75 -0.011954904455340606 -0.011947094815813675
5.800000000000001 -0.010632658012700247 -0.010632658012700226
5.8500000000000005 -0.00835948705019527 -0.008348296410512462
5.9 -0.005410000671707901 -0.005399258334527059
5.95 -0.0021359805944890153 -0.0021327546318237987
6.0 0.0011003540018226295 0.0011003540018226297
6.050000000000001 0.004005508676610487 0.00397960003245333
6.1000000000000005 0.00630679057503533 0.006241590577643997
6.15 0.007807422274829781 0.007704303040931347
6.2 0.00840876469546574 0.008281147248998968
6.25 0.00811486054778262 0.007983291147981098
6.300000000000001 0.007025330506168798 0.006911283039416355
6.3500000000000005 0.005318042857469508 0.005237619727178067
6.4 0.00322407242982482 0.0031828376460631956
6.45 0.0009982240988353642 0.0009882674118175867
6.5 -0.0011112543820161868 -0.0011112543820161866
6.550000000000001 -0.002905346133263998 -0.0029116072814498396
6.6000000000000005 -0.004276369339389337 -0.004258265267509079
6.65 -0.005118783028436215 -0.005058679899534396
6.7 -0.005389836982098343 -0.005286234001717981
6.75 -0.005109830987385449 -0.004976264837261636
6.800000000000001 -0.004355476801378599 -0.004215547764774985
6.8500000000000005 -0.00324748066792096 -0.0031272040920663252
6.9 -0.001934056002055488 -0.001853344059562944
6.95 -0.0005724501024470802 -0.0005377606591673091
7.0 0.0006893085552005554 0.0006893085552005555
7.050000000000001 0.0017059249805230342 0.0017229153848651467
7.1000000000000005 0.0024951974435968947 0.002490765661065417
7.15 0.003004736257136648 0.0029555122888001214
7.2 0.0032118532085469824 0.0031130933072078012
7.25 0.0031236884575453947 0.0029879553591306866
7.300000000000001 0.002774438403794542 0.0026261752513943174
7.3500000000000005 0.002220111988109437 0.002087606572019295
7.4 0.0015314678146287465 0.001438083168764976
7.45 0.0007859355217721833 0.0007425079140048959
7.5 5.938955680031636e-05 5.938955680031634e-05
7.550000000000001 -0.0005614903667179451 -0.000563085382449087
7.6000000000000005 -0.0011085488066324284 -0.0010891489832457423
7.65 -0.0015444855894549791 -0.0014942994789756447
7.7 -0.0018424147379237942 -0.0017641560108414935
7.75 -0.0019874491606623607 -0.0018933094383712325
7.800000000000001 -0.001977261687584405 -0.0018841264740980259
7.8500000000000005 -0.0018216223786472576 -0.001745649554702961
7.9 -0.0015409949110390287 -0.0014926584543839734
7.95 -0.0011643478428206312 -0.0011448943322454877
8.0 -0.0007263940186341605 -0.0007263940186341605
8.05 -0.00024893141734482393 -0.00026497280772929923
8.1 0.00024274237945016186 0.00020808856982848091
8.15 0.0007082751694663061 0.0006596102322958906
8.200000000000001 0.00110997679952238 0.001056530906920828
8.25 0.0014158743754019382 0.001368173222042311
8.3 0.001602257466792456 0.0015687287553811323
8.35 0.0016555108382617452 0.0016397686500308562
8.4 0.00157309368190126 0.0015725190122222914
8.450000000000001 0.0013635965491449098 0.0013695957316478536
8.5 0.001045884063364066 0.0010458840633640661
8.55 0.0006115919452110285 0.0006283728861715212
8.6 0.00012727960327053658 0.00015463311181838427
8.65 -0.00036003324501275406 -0.0003309217844926914
8.700000000000001 -0.0008039213436606742 -0.0007815199611806238
8.75 -0.0011629789801787234 -0.0011529108314961712
8.8 -0.001404680737775934 -0.0014082049878911338
8.85 -0.001508318255559685 -0.0015220898632577835
8.9 -0.0014667490162438932 -0.0014838771013692212
8.950000000000001 -0.0012868124464503155 -0.0012989546641951886
9.0 -0.0009883995057930468 -0.0009883995057930388
9.05 -0.0005757888394644508 -0.0005866978814208755
9.1 -0.00012101445454563409 -0.00013768887654437318
9.15 0.00032656915725740027 0.0003103911484511615
9.200000000000001 0.0007204625199144724 0.0007102354952380518
9.25 0.001021844469932584 0.001020692024674823
9.3 0.001203373569008644 0.0012112818153311245
9.35 0.001251598458431862 0.001265486650482834
9.4 0.001167773620668087 0.0011824158002978998
9.450000000000001 0.0009670586591991019 0.0009766476505179526
9.5 0.0006762563039982789 0.0006762563039982788
9.55 0.0003150324798356291 0.00031931159028320797
9.600000000000001 -5.699112892218366e-05 -5.0724743276828524e-05
9.65 -0.00039688357732941615 -0.0003907406232311784
9.700000000000001 -0.0006682474842325495 -0.0006634765395919913
9.75 -0.0008450896219473857 -0.0008419623100506356
9.8 -0.0009142161361770837 -0.0009123434010791881
9.850000000000001 -0.0008759448553827406 -0.0008747704025541011
9.9 -0.0007431437706766763 -0.0007423397922516917
9.950000000000001 -0.0005388100241190445 -0.0005383750700361867
10.0 -0.0002925726802711442 -0.0002925726802711443
10.05 -1.4572006810883311e-05 -3.657020258393966e-05
10.100000000000001 0.0002456843448470688 0.00020031551000939472
10.15 0.0004546214717368708 0.00039365397654454515
10.200000000000001 0.000587989462799464 0.0005258172027462911
10.25 0.0006335979965120883 0.0005871972073226328
10.3 0.0005921794180456329 0.0005765966447008077
10.350000000000001 0.00047636935903401127 0.0005008187906902371
10.4 0.00030806575251535206 0.000373525024725444
10.450000000000001 0.0001146471390056715 0.0002134680068179901
10.5 -7.533028077010713e-05 4.224903807215395e-05
10.55 -0.00023629684423351048 -0.00011821118111439822
10.600000000000001 -0.00034909373673413743 -0.00024826021738164034
10.65 -0.00040320117925338227 -0.0003328995950086478
10.700000000000001 -0.0003975196196788976 -0.0003636904180641128
10.75 -0.00033968531293216656 -0.0003399077247867568
10.8 -0.00024412462516684125 -0.00026871481531648455
10.850000000000001 -0.00012923169635089998 -0.00016421624783971315
10.9 -1.4166190854268089e-05 -4.538513085111864e-05
10.950000000000001 8.420241375297716e-05 6.695814724609683e-05
11.0 0.0001537312259774456 0.00015373122597744563
11.05 0.00021294970668651642 0.00020115149090876188
11.100000000000001 0.00022228020560104622 0.0002037672388737234
11.15 0.00018376881406653673 0.00016599715602540842
11.200000000000001 0.00010972974972275188 0.00010081965331542315
11.25 1.9212129315877852e-05 2.6118032111317314e-05
11.3 -6.677635006078232e-05 -4.0176180825038275e-05
11.350000000000001 -0.0001301138464763446 -8.464549467882275e-05
11.4 -0.00015936597760330833 -0.00010127241089303902
11.450000000000001 -0.00015175119245940973 -9.188393045728015e-05
11.5 -0.00011295866844506292 -6.427104241463017e-05
11.55 -5.5031437787794564e-05 -2.8892626818372872e-05
11.600000000000001 7.032957044137205e-06 4.5360235887727565e-06
11.65 5.905614046907745e-05 2.941438700100385e-05
11.700000000000001 9.089698655567569e-05 4.300825001463909e-05
11.75 9.838792336413444e-05 4.5727251767332505e-05
11.8 8.363001842127381e-05 3.9624763156014815e-05
11.850000000000001 5.3718212254250874e-05 2.6980277694243996e-05
11.9 1.8353292364157178e-05 9.586058968606227e-06
11.950000000000001 -1.2956220143399765e-05 -1.1114087164397732e-05
12.0 -3.3345442061377216e-05 -3.334544206137722e-05
12.05 -6.152506677050615e-05 -5.4301959299615785e-05
12.100000000000001 -8.743103155491918e-05 -6.98049479515577e-05
12.15 -0.00010284535825718658 -7.492037460707398e-05
12.200000000000001 -0.00010081418630152073 -6.534332478594852e-05
12.25 -7.728791801261825e-05 -3.889734062530059e-05
12.3 -3.2285157957834536e-05 3.3490055536204984e-06
12.350000000000001 2.9664740712014056e-05 5.668950591672437e-05
12.4 9.992294449106417e-05 0.00011323353184046173
12.450000000000001 0.0001669605344370114 0.00016311226813309465
12.5 0.00021822185485023766 0.00019618339770515665
12.55 0.00024233431708968955 0.00020389376126218759
12.600000000000001 0.00023129085635753736 0.0001809506580541814
12.65 0.00018221645076312037 0.00012650694057682316
12.700000000000001 9.83814105642099e-05 4.466172219182316e-05
12.75 -1.0764792972963357e-05 -5.580513135881456e-05
12.8 -0.0001306110042058257 -0.0001624302390667804
12.850000000000001 -0.00024335141391921696 -0.0002606597887300721
12.9 -0.0003306356350431375 -0.0003358257201033569
12.950000000000001 -0.00037650692250356033 -0.00037524484602877086
13.0 -0.0003701641382126884 -0.0003701641382126865
13.05 -0.0003112534476849972 -0.0003173282554132612
13.100000000000001 -0.00021209461822771177 -0.00021999495097289016
13.15 -8.290664429305404e-05 -8.780075156821014e-05
13.200000000000001 6.196216421857521e-05 6.430808839853718e-05
13.25 0.0002056298246248447 0.00021789462252197507
13.3 0.0003306544381269237 0.00035339067571960373
13.350000000000001 0.0004211545428225393 0.00045268398257240815
13.4 0.0004648180110170924 0.000501585321128117
13.450000000000001 0.00045454633897811176 0.0004918396906672301
13.5 0.0003895178695941586 0.0004224024073814921
13.55 0.000275518350115088 0.00029979545221557775
13.600000000000001 0.00012447300404873685 0.00013747913747264804
13.65 -4.6789084106339706e-05 -4.569648266200081e-05
13.700000000000001 -0.00021841171473257264 -0.00022777395475350964
13.75 -0.0003698199140072645 -0.00038641921856937515
13.8 -0.0004821907841126724 -0.000501753059078221
13.850000000000001 -0.0005407896811414433 -0.000558917656102821
13.9 -0.000536882236071255 -0.0005500422912597062
13.950000000000001 -0.0004689762462694401 -0.00047534587087486095
14.0 -0.00034322239010874936 -0.0003432223901087493
14.05 -0.00016553830769115612 -0.00016928760831854986
14.100000000000001 3.0972295941640023e-05 2.551756823951975e-05
14.15 0.00022228938850683963 0.0002175520149057739
14.200000000000001 0.00038519902300070407 0.00038342818800036804
14.25 0.0005001092302953857 0.0005029305905563906
14.3 0.0005534050503822147 0.0005615351465835282
14.350000000000001 0.0005390597696075903 0.0005522129292248922
14.4 0.0004593119354538461 0.0004762942598659288
14.450000000000001 0.00032433269801534836 0.00034328915740208896
14.5 0.0001509313323780787 0.00016969189111797994
14.55 -3.9536625352939966e-05 -2.3075820134910615e-05
14.600000000000001 -0.00022379846832860245 -0.00021132246887798161
14.65 -0.0003795070841952158 -0.0003720125943839188
14.700000000000001 -0.00048795025664737047 -0.00048559809753869485
14.75 -0.0005362981542332113 -0.0005384074930445866
14.8 -0.0005191192253045727 -0.0005243031770595847
14.850000000000001 -0.0004389856487577756 -0.00044540900384983204
14.9 -0.0003061014886901442 -0.000311825359014226
14.950000000000001 -0.00013700599493057588 -0.00014037212801242186
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