NRG Ljubljana 2.4.3.31 - (c) Rok Zitko Timestamp: Mon Nov 13 12:55:52 2017 Compiled on Aug 14 2018 at 10:37:37 Compiled-in symmetry types: ANYJ DBLISOSZ DBLSU2 ISO ISO2 ISO2LR ISOLR ISOSZ ISOSZLR NONE P PP QJ QS QSC3 QSLR QST QSTZ QSZ QSZLR QSZTZ SL SL3 SPSU2 SPSU2C3 SPSU2LR SPSU2T SPU1 SPU1LR SU2 U1 No MPI: single node calculation. [OMP] Max. number of threads: 1 [OMP] Number of processors: 32 [OMP] Dynamic thread adjustment: 0 [OMP] Nested parallelism: 0 Using Intel MKL library 11.3.2 Processor optimization: Intel(R) Advanced Vector Extensions 2 (Intel(R) AVX2) enabled processors max_threads=1 blas_max_threads=1 dynamic=1 workdir=. substeps=0 Ninit=0 Lambda=3 strategy=kept lastall=0 lastalloverride=0 z=0.75 discretization=Z band=flat bandrescale=1 betabar=1 T=-999 keep=5000 keepenergy=9 keepmin=0 log= logall=0 logenumber=10 smooth=old alpha=0.3 omega0=-1 omega0_ratio=1 brcut=0 loggauss_b=0.3 gauss_b=0.1 limitLL=0 eta=0 finite=0 bins=100 accumulation=0 linstep=0 discard_trim=1e-16 discard_immediately=1e-16 NN1=0 NN2even=1 NN2avg=0 NNtanh=0 goodE=2 savebins=0 broaden=1 broaden_max=2.5 broaden_min=-99 broaden_min_ratio=3 broaden_ratio=1.05 dumpenergies=0 dumpannotated=0 dumpscaled=1 dumpabs=0 dumpprecision=8 dumpgroups=1 grouptol=1e-06 dumpdiagonal=0 ops=n_d n_d^2 n_d_ud flm hop0 specs= specd= spect= specq= specot= reim=0 specgt= gtp=0.7 speci1t= speci2t= specchit= chitp=1 chitp_ratio=-999 dm=0 T0opt=-1 dmnrg=0 cfs=0 cfsgt=0 cfsls=0 fdm=0 fdmgt=0 fdmls=0 fdmexpv=0 fdmexpvn=0 cfsold=0 fdmold=0 width_td=12 width_custom=12 prec_td=6 prec_custom=6 prec_xy=6 safeguard=1e-05 safeguardmax=200 fixeps=1e-15 diag=dsyev diagratio=1 dsyevrlimit=100 zheevrlimit=100 restart=1 restartfactor=2 checkdiag=0 checkrho=0 calc0=1 tdht=0 spin=2 tri=old preccpp=2000 checksumrules=0 globalB=0 globalBx=0 polarized=0 pol2x2=0 mpi=0 noimag=1 dumpsubspaces=0 done=1 resume=0 forcestop=-1 stopafter= removefiles=1 dump_f=0 rungs=0 >> Input file for NRG Ljubljana, Rok Zitko, rok.zitko@ijs.si, 2005-2015 SYMMETRY TYPE: QS invdim=2 0 Q additive 1 SS additive I=(0 1) [0 (additive), 1 (additive)] singlet QNs=(0 1) mult=1 >> Using sneg version 1.250 V8 >> Number of channels, impurities, chain sites, subspaces: channels=1 impurities=1 Nmax=42 subspaces=6 Reading <||||> (e) Reading <||n_d||> (s) Reading <||n_d_ud||> (s) Reading <||flm||> (s) Reading <||n_d^2||> (s) Reading <||hop0||> (s) Reading <||||> (z) length_coef_table=42 Nmax=42 Number of invariant subspaces: 6 (-2 1) 1 states 0.03012299307043722 (-1 2) 2 states 0.01407158236515756 0.04255976606715098 (0 1) 3 states 0 0.03012299307043722 0.05663134843230852 (0 3) 1 states 0.02650835536187132 (1 2) 2 states 0.01407158236515756 0.04255976606715098 (2 1) 1 states 0.03012299307043722 Number of states (multiplicity taken into account): 16 Computing the following operators: s=[] p=[] g=[] d=[] v=[] t=[] q=[] ot=[] Computing the following spectra: Before NRG iteration (N=-1) =0.5009035983145629 =-0.01412871809029674 =1 =1.499096401685438 =0.2495482008427186 ***** [NRG] Iteration 1/42 (scale 0.79862812782237003) ***** [1] xi(0)=0.5886635770479917 xi_scaled(0)=0.7370934688377537 zeta(1)=0 Stats: nr=10 min=1 max=8 Emax=2.956245486103552 nrkept=35 nrkeptmult=64 Total energy=-1.177970398975106 Egs=-1.429078556658829 Kept: 35 out of 35, ratio=1 =0.5015648826094738 =-0.02341998987528308 =1 =1.498435117390527 =0.2492175586952632 Memory used: 43 MB Time elapsed: 0 s ***** [NRG] Iteration 2/42 (scale 0.46108816458065222) ***** [1] xi(1)=0.4480798744249804 xi_scaled(1)=0.9717878463276052 zeta(2)=0 Stats: nr=15 min=1 max=20 Emax=6.522497180226932 nrkept=126 nrkeptmult=256 Total energy=-1.501223126656658 Egs=-0.7010648993247135 Kept: 126 out of 126, ratio=1 =0.502709538692779 =-0.03780033169917272 =1.000000000000001 =1.497290461307222 =0.2486452306536107 Memory used: 43 MB Time elapsed: 0 s ***** [NRG] Iteration 3/42 (scale 0.26620937594079003) ***** [1] xi(2)=0.2750509052181822 xi_scaled(2)=1.033212689245621 zeta(3)=0 Stats: nr=21 min=1 max=75 Safeguard: keep additional 3 states Emax=9.367749127754687 nrkept=327 nrkeptmult=736 Total energy=-1.947092861350022 Egs=-1.674883662972612 Kept: 327 out of 462, ratio=0.708 =0.5047202720289922 =-0.0562154249051269 =1 =1.495279727971009 =0.2476398639855041 Memory used: 60 MB Time elapsed: 0 s ***** [NRG] Iteration 4/42 (scale 0.1536960548602174) ***** [1] xi(3)=0.1548118065210888 xi_scaled(3)=1.007259468448205 zeta(4)=0 Stats: nr=28 min=1 max=144 Emax=9.90500511359641 nrkept=413 nrkeptmult=963 Total energy=-2.055232337501581 Egs=-0.7035930509075803 Kept: 413 out of 1216, ratio=0.34 =0.5081093418419061 =-0.07669867901458664 =0.9999999999999989 =1.491890658158091 =0.2459453290790463 Memory used: 61 MB Time elapsed: 0 s ***** [NRG] Iteration 5/42 (scale 0.088736458646930014) ***** [1] xi(4)=0.08875189763423526 xi_scaled(4)=1.000173986967033 zeta(5)=0 Stats: nr=33 min=1 max=202 Safeguard: keep additional 1 states Emax=9.000007263730433 nrkept=314 nrkeptmult=704 Total energy=-2.197242455011293 Egs=-1.600358180561962 Kept: 314 out of 1546, ratio=0.203 =0.5140239063412627 =-0.09811615754140783 =0.9999999999999942 =1.485976093658725 =0.2429880468293657 Memory used: 62 MB Time elapsed: 0 s ***** [NRG] Iteration 6/42 (scale 0.051232018286739137) ***** [1] xi(5)=0.05122287612296315 xi_scaled(5)=0.9998215537064181 zeta(6)=0 Stats: nr=28 min=1 max=140 Safeguard: keep additional 2 states Emax=10.30142402324945 nrkept=415 nrkeptmult=963 Total energy=-2.234925352851231 Egs=-0.7355341269014798 Kept: 415 out of 1168, ratio=0.355 =0.5241110059099475 =-0.1193025161282722 =0.9999999999999906 =1.475888994090034 =0.2379444970450215 Memory used: 62 MB Time elapsed: 0 s ***** [NRG] Iteration 7/42 (scale 0.029578819548976672) ***** [1] xi(6)=0.02957651045025541 xi_scaled(6)=0.9999219340475221 zeta(7)=0 Stats: nr=33 min=1 max=202 Safeguard: keep additional 1 states Emax=9.007107430093793 nrkept=304 nrkeptmult=686 Total energy=-2.280652811935906 Egs=-1.545952806161187 Kept: 304 out of 1551, ratio=0.196 =0.5413325189393763 =-0.1404860524306525 =0.9999999999999869 =1.458667481060598 =0.2293337405303056 Memory used: 62 MB Time elapsed: 0 s ***** [NRG] Iteration 8/42 (scale 0.017077339428913048) ***** [1] xi(7)=0.01707686528355082 xi_scaled(7)=0.9999722354079685 zeta(8)=0 Stats: nr=28 min=1 max=134 Safeguard: keep additional 1 states Emax=9.056723206498422 nrkept=334 nrkeptmult=772 Total energy=-2.293851218166556 Egs=-0.7728608010392989 Kept: 334 out of 1132, ratio=0.295 =0.5705099146000906 =-0.1610959370393631 =0.9999999999999795 =1.429490085399869 =0.2147450426999445 Memory used: 62 MB Time elapsed: 0 s ***** [NRG] Iteration 9/42 (scale 0.0098596065163255569) ***** [1] xi(8)=0.009859513449242198 xi_scaled(8)=0.9999905607710404 zeta(9)=0 Stats: nr=31 min=1 max=169 Safeguard: keep additional 4 states Emax=9.004533930227572 nrkept=302 nrkeptmult=680 Total energy=-2.308553614619577 Egs=-1.491174767337526 Kept: 302 out of 1246, ratio=0.242 =0.6167036665226893 =-0.1805748319597242 =0.9999999999999695 =1.383296333477249 =0.1916481667386401 Memory used: 62 MB Time elapsed: 0 s ***** [NRG] Iteration 10/42 (scale 0.0056924464763043487) ***** [1] xi(9)=0.005692428450594648 xi_scaled(9)=0.9999968333984736 zeta(10)=0 Stats: nr=28 min=1 max=133 Safeguard: keep additional 1 states Emax=9.018359195162382 nrkept=332 nrkeptmult=768 Total energy=-2.313122967475425 Egs=-0.8027045796334962 Kept: 332 out of 1124, ratio=0.295 =0.6868128293311393 =-0.1974578169529612 =0.9999999999999573 =1.313187170668775 =0.1565935853344088 Memory used: 62 MB Time elapsed: 0 s ***** [NRG] Iteration 11/42 (scale 0.0032865355054418526) ***** [1] xi(10)=0.003286532029052851 xi_scaled(10)=0.9999989422329392 zeta(11)=0 Stats: nr=31 min=1 max=167 Safeguard: keep additional 1 states Emax=9.032196439811468 nrkept=248 nrkeptmult=562 Total energy=-2.317873209890926 Egs=-1.445364703236999 Kept: 248 out of 1238, ratio=0.2 =0.7755437531514364 =-0.2094731568868922 =0.9999999999999553 =1.224456246848474 =0.1122281234242591 Memory used: 62 MB Time elapsed: 0 s ***** [NRG] Iteration 12/42 (scale 0.0018974821587681161) ***** [1] xi(11)=0.001897481489266623 xi_scaled(11)=0.999999647163221 zeta(12)=0 Stats: nr=26 min=1 max=113 Safeguard: keep additional 1 states Emax=9.009620296740103 nrkept=262 nrkeptmult=608 Total energy=-2.31944240165992 Egs=-0.8269863101173041 Kept: 262 out of 926, ratio=0.283 =0.8570859635702154 =-0.2143782386862798 =0.9999999999999656 =1.142914036429715 =0.07145701821487477 Memory used: 62 MB Time elapsed: 0 s ***** [NRG] Iteration 13/42 (scale 0.001095511835147284) ***** [1] xi(12)=0.001095511706271519 xi_scaled(12)=0.9999998823602254 zeta(13)=0 Stats: nr=31 min=1 max=135 Safeguard: keep additional 1 states Emax=9.011130703749116 nrkept=186 nrkeptmult=428 Total energy=-2.320979040554618 Egs=-1.402667543515667 Kept: 186 out of 978, ratio=0.19 =0.9014182717388942 =-0.214532344430625 =0.9999999999999807 =1.098581728261067 =0.0492908641305429 Memory used: 62 MB Time elapsed: 0 s ***** [NRG] Iteration 14/42 (scale 0.00063249405292270544) ***** [1] xi(13)=0.0006324940281186195 xi_scaled(13)=0.999999960783685 zeta(14)=0 Stats: nr=26 min=1 max=85 Safeguard: keep additional 3 states Emax=9.000935687695904 nrkept=188 nrkeptmult=448 Total energy=-2.321521479946996 Egs=-0.8576197513185932 Kept: 188 out of 692, ratio=0.272 =0.9137625518848248 =-0.2139803014667007 =0.9999999999999858 =1.086237448115147 =0.04311872405758021 Memory used: 62 MB Time elapsed: 0 s ***** [NRG] Iteration 15/42 (scale 0.00036517061171576138) ***** [1] xi(14)=0.0003651706069420888 xi_scaled(14)=0.9999999869275553 zeta(15)=0 Stats: nr=29 min=1 max=97 Safeguard: keep additional 3 states Emax=9.000381743665727 nrkept=151 nrkeptmult=358 Total energy=-2.32201476015005 Egs=-1.350821197622342 Kept: 151 out of 706, ratio=0.214 =0.9156380193565667 =-0.2141336608325184 =0.9999999999999875 =1.084361980643407 =0.04218099032170992 Memory used: 62 MB Time elapsed: 0 s ***** [NRG] Iteration 16/42 (scale 0.00021083135097423514) ***** [1] xi(15)=0.0002108313500555334 xi_scaled(15)=0.9999999956424807 zeta(16)=0 Stats: nr=26 min=1 max=67 Safeguard: keep additional 1 states Emax=9.020819251414489 nrkept=164 nrkeptmult=380 Total energy=-2.322204990407437 Egs=-0.9022863843901554 Kept: 164 out of 564, ratio=0.291 =0.9155280829039216 =-0.2145185950176839 =0.9999999999999877 =1.084471917096053 =0.04223595854803254 Memory used: 62 MB Time elapsed: 0 s ***** [NRG] Iteration 17/42 (scale 0.00012172353723858711) ***** [1] xi(16)=0.0001217235370617824 xi_scaled(16)=0.9999999985474894 zeta(17)=0 Stats: nr=27 min=1 max=89 Safeguard: keep additional 1 states Emax=9.164906289684588 nrkept=149 nrkeptmult=360 Total energy=-2.322361027152946 Egs=-1.281894603533673 Kept: 149 out of 614, ratio=0.243 =0.9149899858317362 =-0.2149378843318701 =0.999999999999988 =1.08501001416824 =0.04250500708412556 Memory used: 62 MB Time elapsed: 0 s ***** [NRG] Iteration 18/42 (scale 7.0277116991411708e-05) ***** [1] xi(17)=7.027711695738559e-05 xi_scaled(17)=0.9999999995158294 zeta(18)=0 Stats: nr=26 min=1 max=68 Safeguard: keep additional 1 states Emax=9.027633298868597 nrkept=152 nrkeptmult=348 Total energy=-2.322428974454328 Egs=-0.9668481618349316 Kept: 152 out of 560, ratio=0.271 =0.9144300119405029 =-0.2153038139529708 =0.9999999999999881 =1.085569988059474 =0.04278499402974232 Memory used: 62 MB Time elapsed: 0 s ***** [NRG] Iteration 19/42 (scale 4.0574512412862373e-05) ***** [1] xi(18)=4.057451240631404e-05 xi_scaled(18)=0.9999999998386098 zeta(19)=0 Stats: nr=27 min=1 max=83 Safeguard: keep additional 1 states Emax=9.239186477742857 nrkept=149 nrkeptmult=360 Total energy=-2.322477234027682 Egs=-1.189406119350632 Kept: 149 out of 566, ratio=0.263 =0.9139064290143972 =-0.2156251068490936 =0.9999999999999876 =1.086093570985578 =0.04304678549279489 Memory used: 62 MB Time elapsed: 0 s ***** [NRG] Iteration 20/42 (scale 2.3425705663803904e-05) ***** [1] xi(19)=2.342570566254367e-05 xi_scaled(19)=0.9999999999462031 zeta(20)=0 Stats: nr=26 min=1 max=68 Safeguard: keep additional 1 states Emax=9.167350491499938 nrkept=152 nrkeptmult=348 Total energy=-2.322502070957193 Egs=-1.060242533040281 Kept: 152 out of 560, ratio=0.271 =0.9134597489735412 =-0.2158936048654273 =0.9999999999999867 =1.086540251026433 =0.04327012551322239 Memory used: 62 MB Time elapsed: 0 s ***** [NRG] Iteration 21/42 (scale 1.3524837470954124e-05) ***** [1] xi(20)=1.352483747071159e-05 xi_scaled(20)=0.9999999999820678 zeta(21)=0 Stats: nr=27 min=1 max=83 Safeguard: keep additional 1 states Emax=9.171765745051434 nrkept=147 nrkeptmult=354 Total energy=-2.322516514900471 Egs=-1.067956883679845 Kept: 147 out of 566, ratio=0.26 =0.9130649619415939 =-0.2161287225440703 =0.9999999999999869 =1.086935038058381 =0.04346751902919616 Memory used: 62 MB Time elapsed: 0 s ***** [NRG] Iteration 22/42 (scale 7.8085685546013012e-06) ***** [1] xi(21)=7.808568554554626e-06 xi_scaled(21)=0.9999999999940226 zeta(22)=0 Stats: nr=26 min=1 max=66 Safeguard: keep additional 1 states Emax=9.035141616619027 nrkept=147 nrkeptmult=341 Total energy=-2.322525831136486 Egs=-1.193078596933127 Kept: 147 out of 552, ratio=0.266 =0.9127310333744929 =-0.2163269646805571 =0.9999999999999879 =1.087268966625484 =0.04363448331274711 Memory used: 62 MB Time elapsed: 0 s ***** [NRG] Iteration 23/42 (scale 4.5082791569847079e-06) ***** [1] xi(22)=4.508279156975725e-06 xi_scaled(22)=0.9999999999980075 zeta(23)=0 Stats: nr=27 min=1 max=80 Safeguard: keep additional 3 states Emax=9.086597791382982 nrkept=147 nrkeptmult=342 Total energy=-2.322529991138194 Egs=-0.92274714208578 Kept: 147 out of 549, ratio=0.268 =0.9124394637722171 =-0.2164998168598106 =0.9999999999999868 =1.087560536227757 =0.04378026811388459 Memory used: 62 MB Time elapsed: 0 s ***** [NRG] Iteration 24/42 (scale 2.6028561848671004e-06) ***** [1] xi(23)=2.602856184865372e-06 xi_scaled(23)=0.9999999999993358 zeta(24)=0 Stats: nr=26 min=1 max=66 Safeguard: keep additional 1 states Emax=9.010885626637474 nrkept=141 nrkeptmult=321 Total energy=-2.322533540959501 Egs=-1.363817688999718 Kept: 141 out of 548, ratio=0.257 =0.9122020360652624 =-0.216640504524577 =0.9999999999999876 =1.087797963934714 =0.04389898196736233 Memory used: 62 MB Time elapsed: 0 s ***** [NRG] Iteration 25/42 (scale 1.5027597189949027e-06) ***** [1] xi(24)=1.50275971899457e-06 xi_scaled(24)=0.9999999999997786 zeta(25)=0 Stats: nr=25 min=1 max=77 Safeguard: keep additional 1 states Emax=9.036566288031262 nrkept=135 nrkeptmult=308 Total energy=-2.322534721446425 Egs=-0.7855460257054779 Kept: 135 out of 526, ratio=0.257 =0.9120136710044826 =-0.2167520969093591 =0.9999999999999868 =1.087986328995491 =0.04399316449775161 Memory used: 62 MB Time elapsed: 0 s ***** [NRG] Iteration 26/42 (scale 8.676187282890334e-07) ***** [1] xi(25)=8.676187282889694e-07 xi_scaled(25)=0.9999999999999263 zeta(26)=0 Stats: nr=25 min=1 max=64 Emax=9.017916149722396 nrkept=122 nrkeptmult=264 Total energy=-2.322536050616493 Egs=-1.531974845879931 Kept: 122 out of 504, ratio=0.242 =0.9118840476567075 =-0.2168288835084715 =0.9999999999999868 =1.088115952343267 =0.04405797617163942 Memory used: 62 MB Time elapsed: 0 s ***** [NRG] Iteration 27/42 (scale 5.009199063316343e-07) ***** [1] xi(26)=5.009199063316219e-07 xi_scaled(26)=0.9999999999999752 zeta(27)=0 Stats: nr=21 min=1 max=71 Safeguard: keep additional 2 states Emax=9.111305651666859 nrkept=123 nrkeptmult=276 Total energy=-2.32253639905873 Egs=-0.6956046925183226 Kept: 123 out of 454, ratio=0.271 =0.911805019408867 =-0.2168756969133271 =0.9999999999999866 =1.088194980591107 =0.04409749029555954 Memory used: 62 MB Time elapsed: 0 s ***** [NRG] Iteration 28/42 (scale 2.8920624276301115e-07) ***** [1] xi(27)=2.892062427630088e-07 xi_scaled(27)=0.9999999999999918 zeta(28)=0 Stats: nr=25 min=1 max=58 Emax=9.003266621278527 nrkept=104 nrkeptmult=216 Total energy=-2.322536873941779 Egs=-1.642022123806515 Kept: 104 out of 458, ratio=0.227 =0.9117659303347856 =-0.2168988515383676 =0.9999999999999868 =1.088234069665189 =0.04411703483260036 Memory used: 62 MB Time elapsed: 0 s ***** [NRG] Iteration 29/42 (scale 1.6697330211054477e-07) ***** [1] xi(28)=1.669733021105443e-07 xi_scaled(28)=0.9999999999999971 zeta(29)=0 Stats: nr=21 min=1 max=61 Emax=9.205054724475799 nrkept=112 nrkeptmult=244 Total energy=-2.322536983051937 Egs=-0.6534587042977236 Kept: 112 out of 382, ratio=0.293 =0.9117490576763828 =-0.2169088460905358 =0.9999999999999852 =1.08825094232359 =0.04412547116180136 Memory used: 62 MB Time elapsed: 0 s ***** [NRG] Iteration 30/42 (scale 9.6402080921003717e-08) ***** [1] xi(29)=9.640208092100362e-08 xi_scaled(29)=0.999999999999999 zeta(30)=0 Stats: nr=25 min=1 max=54 Safeguard: keep additional 2 states Emax=9.065915078654314 nrkept=91 nrkeptmult=187 Total energy=-2.322537146188023 Egs=-1.692246523949657 Kept: 91 out of 416, ratio=0.219 =0.9117428478338983 =-0.2169125244948051 =0.9999999999999845 =1.088257152166072 =0.04412857608304298 Memory used: 62 MB Time elapsed: 0 s ***** [NRG] Iteration 31/42 (scale 5.5657767370181585e-08) ***** [1] xi(30)=5.565776737018156e-08 xi_scaled(30)=0.9999999999999997 zeta(31)=0 Stats: nr=21 min=1 max=54 Emax=9.891398313935422 nrkept=112 nrkeptmult=244 Total energy=-2.3225371816564 Egs=-0.6372583430905461 Kept: 112 out of 335, ratio=0.334 =0.9117406415111492 =-0.2169138314104255 =0.9999999999999849 =1.088259358488823 =0.04412967924441795 Memory used: 62 MB Time elapsed: 0 s ***** [NRG] Iteration 32/42 (scale 3.213402697366791e-08) ***** [1] xi(31)=3.21340269736679e-08 xi_scaled(31)=0.9999999999999998 zeta(32)=0 Stats: nr=25 min=1 max=54 Emax=9.091154579004279 nrkept=87 nrkeptmult=181 Total energy=-2.322537236641325 Egs=-1.711112201298668 Kept: 87 out of 416, ratio=0.209 =0.9117399075068813 =-0.2169142661978212 =0.9999999999999846 =1.08826009249309 =0.04413004624655163 Memory used: 62 MB Time elapsed: 0 s ***** [NRG] Iteration 33/42 (scale 1.8552589123393859e-08) ***** [1] xi(32)=1.855258912339386e-08 xi_scaled(32)=1 zeta(33)=0 Stats: nr=21 min=1 max=52 Emax=10.16310725061814 nrkept=112 nrkeptmult=244 Total energy=-2.322537248358446 Egs=-0.6315625781817764 Kept: 112 out of 322, ratio=0.348 =0.911739655478123 =-0.2169144154870353 =0.9999999999999843 =1.088260344521848 =0.04413017226093072 Memory used: 62 MB Time elapsed: 0 s ***** [NRG] Iteration 34/42 (scale 1.0711342324555969e-08) ***** [1] xi(33)=1.071134232455597e-08 xi_scaled(33)=1 zeta(34)=0 Stats: nr=25 min=1 max=54 Emax=9.160035561559146 nrkept=87 nrkeptmult=181 Total energy=-2.322537266756982 Egs=-1.717668574218811 Kept: 87 out of 416, ratio=0.209 =0.9117395734488432 =-0.216914464077069 =0.9999999999999841 =1.088260426551127 =0.04413021327557049 Memory used: 62 MB Time elapsed: 0 s ***** [NRG] Iteration 35/42 (scale 6.1841963744646209e-09) ***** [1] xi(34)=6.18419637446462e-09 xi_scaled(34)=0.9999999999999999 zeta(35)=0 Stats: nr=21 min=1 max=52 Emax=10.24377381671238 nrkept=112 nrkeptmult=244 Total energy=-2.322537270650728 Egs=-0.6296283942732095 Kept: 112 out of 322, ratio=0.348 =0.9117395452247682 =-0.2169144807955964 =0.9999999999999842 =1.088260454775201 =0.04413022738760791 Memory used: 62 MB Time elapsed: 0 s ***** [NRG] Iteration 36/42 (scale 3.5704474415186564e-09) ***** [1] xi(35)=3.570447441518656e-09 xi_scaled(35)=0.9999999999999999 zeta(36)=0 Stats: nr=25 min=1 max=54 Emax=9.183412379320551 nrkept=87 nrkeptmult=181 Total energy=-2.322537276791487 Egs=-1.719884921806581 Kept: 87 out of 416, ratio=0.209 =0.9117395361040499 =-0.2169144861982527 =0.9999999999999839 =1.088260463895919 =0.04413023194796702 Memory used: 62 MB Time elapsed: 0 s ***** [NRG] Iteration 37/42 (scale 2.0613987914882068e-09) ***** [1] xi(36)=2.061398791488207e-09 xi_scaled(36)=1 zeta(37)=0 Stats: nr=21 min=1 max=52 Emax=10.27018684807786 nrkept=112 nrkeptmult=244 Total energy=-2.322537278088065 Egs=-0.6289796018625264 Kept: 112 out of 322, ratio=0.348 =0.9117395329602752 =-0.2169144880604669 =0.9999999999999836 =1.088260467039693 =0.04413023351985416 Memory used: 62 MB Time elapsed: 0 s ***** [NRG] Iteration 38/42 (scale 1.1901491471728853e-09) ***** [1] xi(37)=1.190149147172885e-09 xi_scaled(37)=1 zeta(38)=0 Stats: nr=25 min=1 max=54 Emax=9.191249223804393 nrkept=87 nrkeptmult=181 Total energy=-2.322537280135867 Egs=-1.720627170589323 Kept: 87 out of 416, ratio=0.209 =0.9117395319462777 =-0.2169144886611085 =0.9999999999999839 =1.088260468053692 =0.04413023402685314 Memory used: 62 MB Time elapsed: 0 s ***** [NRG] Iteration 39/42 (scale 6.8713293049606891e-10) ***** [1] xi(38)=6.871329304960689e-10 xi_scaled(38)=1 zeta(39)=0 Stats: nr=21 min=1 max=52 Emax=10.27897691793146 nrkept=112 nrkeptmult=244 Total energy=-2.322537280567911 Egs=-0.6287628869051695 Kept: 112 out of 322, ratio=0.348 =0.9117395315965072 =-0.2169144888682958 =0.9999999999999851 =1.088260468403464 =0.04413023420173882 Memory used: 62 MB Time elapsed: 0 s ***** [NRG] Iteration 40/42 (scale 3.9671638239096179e-10) ***** [1] xi(39)=3.967163823909618e-10 xi_scaled(39)=1 zeta(40)=0 Stats: nr=25 min=1 max=54 Emax=9.193866293515432 nrkept=87 nrkeptmult=181 Total energy=-2.32253728125061 Egs=-1.720874968511015 Kept: 87 out of 416, ratio=0.209 =0.9117395314837621 =-0.2169144889350806 =0.9999999999999852 =1.08826046851621 =0.04413023425811156 Memory used: 62 MB Time elapsed: 0 s ***** [NRG] Iteration 41/42 (scale 2.2904431016535628e-10) ***** [1] xi(40)=2.290443101653563e-10 xi_scaled(40)=1 zeta(41)=0 Stats: nr=21 min=1 max=52 Emax=10.28190627580194 nrkept=112 nrkeptmult=244 Total energy=-2.322537281394609 Egs=-0.6286906002179994 Kept: 112 out of 322, ratio=0.348 =0.9117395314448621 =-0.2169144889581233 =0.9999999999999858 =1.088260468555111 =0.04413023427756184 Memory used: 62 MB Time elapsed: 0 s ***** [NRG] Iteration 42/42 (scale 1.3223879413032059e-10) ***** [1] xi(41)=1.322387941303206e-10 xi_scaled(41)=1 zeta(42)=0 Stats: nr=25 min=1 max=54 Emax=9.194739154024877 nrkept=87 nrkeptmult=181 Total energy=-2.322537281622186 Egs=-1.720957608520366 Kept: 87 out of 416, ratio=0.209 =0.9117395314323249 =-0.2169144889655492 =0.9999999999999851 =1.088260468567646 =0.04413023428383009 Memory used: 62 MB Time elapsed: 0 s ** Iteration completed. Total energy: -2.322537281622186 TKW=1.144899395623447e-06 Memory usage report =================== after diag: 64184 kB after recalc: 64184 kB after split: 64184 kB after trim: 64184 kB after trunc: 64184 kB diag_h: 64184 kB Peak usage: 64184 kB Timing report ============= All: 0 s diag: 0 s recalc f: 0 s recalc s: 0 s Other: 0 s