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=2 strategy=kept lastall=0 lastalloverride=0 z=1 discretization=Z band=flat bandrescale=1 betabar=1 T=-999 keep=5000 keepenergy=8 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=20 dumpscaled=1 dumpabs=0 dumpprecision=8 dumpgroups=0 grouptol=1e-06 dumpdiagonal=0 ops= 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=66 subspaces=6 Reading <||||> (e) Reading <||||> (z) length_coef_table=66 Nmax=66 Number of invariant subspaces: 6 (-2 1) 1 states 0.03800369961371088 (-1 2) 2 states 0.01784011610542236 0.05620676683506229 (0 1) 3 states 0 0.04091577484445096 0.07701635657055586 (0 3) 1 states 0.03604318332677379 (1 2) 2 states 0.02040881862853686 0.05951961317275909 (2 1) 1 states 0.04388524847452216 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) ***** [NRG] Iteration 1/66 (scale 0.72134752044448169) ***** [1] xi(0)=0.5452874708426226 xi_scaled(0)=0.7559289460184545 zeta(1)=0 Stats: nr=10 min=1 max=8 Emax=3.036724907583739 nrkept=35 nrkeptmult=64 Total energy=-1.088268881002098 Egs=-1.461847137506997 Kept: 35 out of 35, ratio=1 Memory used: 43 MB Time elapsed: 0 s ***** [NRG] Iteration 2/66 (scale 0.51006972329839473) ***** [1] xi(1)=0.4155094682917544 xi_scaled(1)=0.8146130799625568 zeta(2)=0 Stats: nr=15 min=1 max=20 Emax=5.471691657856234 nrkept=126 nrkeptmult=256 Total energy=-1.3899327540392 Egs=-0.5914169362697633 Kept: 126 out of 126, ratio=1 Memory used: 43 MB Time elapsed: 0 s ***** [NRG] Iteration 3/66 (scale 0.36067376022224085) ***** [1] xi(2)=0.3218991776760922 xi_scaled(2)=0.8924940297229927 zeta(3)=0 Stats: nr=21 min=1 max=75 Safeguard: keep additional 3 states Emax=8.002527771194663 nrkept=398 nrkeptmult=896 Total energy=-1.921190706350545 Egs=-1.472959807178636 Kept: 398 out of 462, ratio=0.861 Memory used: 60 MB Time elapsed: 0 s ***** [NRG] Iteration 4/66 (scale 0.25503486164919736) ***** [1] xi(3)=0.2402694094581714 xi_scaled(3)=0.942104180991005 zeta(4)=0 Stats: nr=28 min=1 max=177 Emax=8.066935576564395 nrkept=715 nrkeptmult=1698 Total energy=-2.121477015348388 Egs=-0.7853291416815705 Kept: 715 out of 1482, ratio=0.482 Memory used: 61 MB Time elapsed: 0 s ***** [NRG] Iteration 5/66 (scale 0.18033688011112042) ***** [1] xi(4)=0.1749149187687819 xi_scaled(4)=0.9699342622596243 zeta(5)=0 Stats: nr=33 min=2 max=333 Emax=8.006798281744516 nrkept=905 nrkeptmult=2174 Total energy=-2.393259448023404 Egs=-1.507081815475288 Kept: 905 out of 2682, ratio=0.337 Memory used: 65 MB Time elapsed: 0 s ***** [NRG] Iteration 6/66 (scale 0.12751743082459868) ***** [1] xi(5)=0.1255632919492426 xi_scaled(5)=0.9846755156317096 zeta(6)=0 Stats: nr=38 min=1 max=372 Emax=8.03196503460237 nrkept=849 nrkeptmult=2018 Total energy=-2.502222743901446 Egs=-0.8544972649889823 Kept: 849 out of 3394, ratio=0.25 Memory used: 69 MB Time elapsed: 0 s ***** [NRG] Iteration 7/66 (scale 0.090168440055560212) ***** [1] xi(6)=0.08947082529362729 xi_scaled(6)=0.9922632047143872 zeta(7)=0 Stats: nr=33 min=2 max=397 Emax=8.003288961500845 nrkept=896 nrkeptmult=2156 Total energy=-2.637481637416736 Egs=-1.500069130972507 Kept: 896 out of 3186, ratio=0.281 Memory used: 69 MB Time elapsed: 0 s ***** [NRG] Iteration 8/66 (scale 0.063758715412299341) ***** [1] xi(7)=0.06351086930807648 xi_scaled(7)=0.9961127494081373 zeta(8)=0 Stats: nr=38 min=1 max=369 Emax=8.029329225765698 nrkept=849 nrkeptmult=2018 Total energy=-2.69416262407496 Egs=-0.888991980024894 Kept: 849 out of 3362, ratio=0.253 Memory used: 70 MB Time elapsed: 0 s ***** [NRG] Iteration 9/66 (scale 0.045084220027780106) ***** [1] xi(8)=0.04499637947017967 xi_scaled(8)=0.9980516340851342 zeta(9)=0 Stats: nr=33 min=2 max=397 Emax=8.005386595120395 nrkept=862 nrkeptmult=2069 Total energy=-2.760733720335649 Egs=-1.476594165756202 Kept: 862 out of 3186, ratio=0.271 Memory used: 70 MB Time elapsed: 0 s ***** [NRG] Iteration 10/66 (scale 0.031879357706149671) ***** [1] xi(9)=0.03184826348698654 xi_scaled(9)=0.9990246284304175 zeta(10)=0 Stats: nr=38 min=1 max=351 Emax=8.041162621895705 nrkept=849 nrkeptmult=2018 Total energy=-2.789957425538334 Egs=-0.9166968002321987 Kept: 849 out of 3227, ratio=0.263 Memory used: 70 MB Time elapsed: 1 s ***** [NRG] Iteration 11/66 (scale 0.022542110013890053) ***** [1] xi(10)=0.02253110983902919 xi_scaled(10)=0.9995120166278095 zeta(11)=0 Stats: nr=33 min=2 max=397 Emax=8.000300808755128 nrkept=811 nrkeptmult=1951 Total energy=-2.822556465065662 Egs=-1.446139669589086 Kept: 811 out of 3186, ratio=0.255 Memory used: 70 MB Time elapsed: 1 s ***** [NRG] Iteration 12/66 (scale 0.015939678853074835) ***** [1] xi(11)=0.01593578851722613 xi_scaled(11)=0.9997559338626226 zeta(12)=0 Stats: nr=38 min=1 max=333 Emax=8.071343308337585 nrkept=849 nrkeptmult=2018 Total energy=-2.837607772084197 Egs=-0.9442666415849286 Kept: 849 out of 3044, ratio=0.279 Memory used: 70 MB Time elapsed: 1 s ***** [NRG] Iteration 13/66 (scale 0.011271055006945026) ***** [1] xi(12)=0.01126967935565226 xi_scaled(12)=0.9998779483116782 zeta(13)=0 Stats: nr=33 min=2 max=397 Emax=8.002224473591378 nrkept=778 nrkeptmult=1863 Total energy=-2.853524223164796 Egs=-1.41215272845275 Kept: 778 out of 3186, ratio=0.244 Memory used: 70 MB Time elapsed: 1 s ***** [NRG] Iteration 14/66 (scale 0.0079698394265374176) ***** [1] xi(13)=0.007969353023252924 xi_scaled(13)=0.9999389695000788 zeta(14)=0 Stats: nr=37 min=1 max=323 Emax=8.000360184630573 nrkept=777 nrkeptmult=1851 Total energy=-2.861276407192939 Egs=-0.9726901149764909 Kept: 777 out of 2919, ratio=0.266 Memory used: 70 MB Time elapsed: 1 s ***** [NRG] Iteration 15/66 (scale 0.0056355275034725132) ***** [1] xi(14)=0.005635355527382068 xi_scaled(14)=0.9999694835859927 zeta(15)=0 Stats: nr=33 min=1 max=366 Emax=8.000772835426995 nrkept=695 nrkeptmult=1669 Total energy=-2.869031786786385 Egs=-1.376158591838682 Kept: 695 out of 2916, ratio=0.238 Memory used: 70 MB Time elapsed: 1 s ***** [NRG] Iteration 16/66 (scale 0.0039849197132687088) ***** [1] xi(15)=0.00398485890937912 xi_scaled(15)=0.9999847415019714 zeta(16)=0 Stats: nr=37 min=1 max=297 Emax=8.004236221867265 nrkept=742 nrkeptmult=1773 Total energy=-2.873025149843356 Egs=-1.002118824043841 Kept: 742 out of 2609, ratio=0.284 Memory used: 70 MB Time elapsed: 2 s ***** [NRG] Iteration 17/66 (scale 0.0028177637517362566) ***** [1] xi(16)=0.002817742254109917 xi_scaled(16)=0.9999923706782278 zeta(17)=0 Stats: nr=33 min=1 max=350 Emax=8.000477623043636 nrkept=635 nrkeptmult=1528 Total energy=-2.876796606243422 Egs=-1.338457277599256 Kept: 635 out of 2786, ratio=0.228 Memory used: 70 MB Time elapsed: 2 s ***** [NRG] Iteration 18/66 (scale 0.0019924598566343544) ***** [1] xi(17)=0.00199245225603943 xi_scaled(17)=0.9999961853209243 zeta(18)=0 Stats: nr=36 min=1 max=278 Emax=8.006585705882635 nrkept=597 nrkeptmult=1436 Total energy=-2.878855865042355 Egs=-1.033525866067648 Kept: 597 out of 2386, ratio=0.25 Memory used: 70 MB Time elapsed: 2 s ***** [NRG] Iteration 19/66 (scale 0.0014088818758681283) ***** [1] xi(18)=0.001408879188645615 xi_scaled(18)=0.9999980926559147 zeta(19)=0 Stats: nr=32 min=1 max=287 Emax=8.0040770939731 nrkept=545 nrkeptmult=1328 Total energy=-2.880684570759885 Egs=-1.297983705271605 Kept: 545 out of 2242, ratio=0.243 Memory used: 70 MB Time elapsed: 2 s ***** [NRG] Iteration 20/66 (scale 0.0009962299283171772) ***** [1] xi(19)=0.000996228978239414 xi_scaled(19)=0.9999990463268206 zeta(20)=0 Stats: nr=35 min=1 max=245 Emax=8.001709799869136 nrkept=523 nrkeptmult=1286 Total energy=-2.881749689006971 Egs=-1.069149015514408 Kept: 523 out of 2051, ratio=0.255 Memory used: 70 MB Time elapsed: 2 s ***** [NRG] Iteration 21/66 (scale 0.00070444093793406415) ***** [1] xi(20)=0.0007044406020306494 xi_scaled(20)=0.999999523163126 zeta(21)=0 Stats: nr=32 min=1 max=250 Emax=8.005953715736094 nrkept=488 nrkeptmult=1195 Total energy=-2.882632069394547 Egs=-1.252596690594999 Kept: 488 out of 1970, ratio=0.248 Memory used: 70 MB Time elapsed: 2 s ***** [NRG] Iteration 22/66 (scale 0.0004981149641585886) ***** [1] xi(21)=0.000498114845398762 xi_scaled(21)=0.9999997615814918 zeta(22)=0 Stats: nr=35 min=1 max=217 Emax=8.000637399035044 nrkept=457 nrkeptmult=1135 Total energy=-2.883185933749745 Egs=-1.111920731257624 Kept: 457 out of 1836, ratio=0.249 Memory used: 70 MB Time elapsed: 2 s ***** [NRG] Iteration 23/66 (scale 0.00035222046896703208) ***** [1] xi(22)=0.0003522204269790865 xi_scaled(22)=0.9999998807907282 zeta(23)=0 Stats: nr=32 min=1 max=216 Emax=8.005948866276272 nrkept=445 nrkeptmult=1099 Total energy=-2.883608600343287 Egs=-1.200005765654682 Kept: 445 out of 1723, ratio=0.258 Memory used: 70 MB Time elapsed: 2 s ***** [NRG] Iteration 24/66 (scale 0.0002490574820792943) ***** [1] xi(23)=0.0002490574672343127 xi_scaled(23)=0.9999999403953597 zeta(24)=0 Stats: nr=35 min=1 max=195 Emax=8.001526161872045 nrkept=426 nrkeptmult=1070 Total energy=-2.883898643345383 Egs=-1.164562492461588 Kept: 426 out of 1676, ratio=0.254 Memory used: 70 MB Time elapsed: 2 s ***** [NRG] Iteration 25/66 (scale 0.00017611023448351604) ***** [1] xi(24)=0.0001761102292350223 xi_scaled(24)=0.9999999701976788 zeta(25)=0 Stats: nr=31 min=2 max=200 Emax=8.002725653515695 nrkept=427 nrkeptmult=1055 Total energy=-2.884099208505345 Egs=-1.138861466795487 Kept: 427 out of 1608, ratio=0.266 Memory used: 70 MB Time elapsed: 2 s ***** [NRG] Iteration 26/66 (scale 0.00012452874103964715) ***** [1] xi(25)=0.0001245287391840243 xi_scaled(25)=0.9999999850988391 zeta(26)=0 Stats: nr=34 min=1 max=184 Emax=8.01000122394313 nrkept=413 nrkeptmult=1037 Total energy=-2.884252226412979 Egs=-1.228775834050387 Kept: 413 out of 1608, ratio=0.257 Memory used: 70 MB Time elapsed: 2 s ***** [NRG] Iteration 27/66 (scale 8.8055117241758019e-05) ***** [1] xi(26)=8.805511658569628e-05 xi_scaled(26)=0.9999999925494195 zeta(27)=0 Stats: nr=31 min=1 max=194 Emax=8.001029399767818 nrkept=414 nrkeptmult=1016 Total energy=-2.884346452464269 Egs=-1.070080356964392 Kept: 414 out of 1560, ratio=0.265 Memory used: 70 MB Time elapsed: 2 s ***** [NRG] Iteration 28/66 (scale 6.2264370519823575e-05) ***** [1] xi(27)=6.226437028787072e-05 xi_scaled(27)=0.9999999962747097 zeta(28)=0 Stats: nr=33 min=1 max=181 Emax=8.00229860225037 nrkept=390 nrkeptmult=956 Total energy=-2.884427632526331 Egs=-1.303796398869785 Kept: 390 out of 1559, ratio=0.25 Memory used: 70 MB Time elapsed: 2 s ***** [NRG] Iteration 29/66 (scale 4.402755862087901e-05) ***** [1] xi(28)=4.402755853887129e-05 xi_scaled(28)=0.9999999981373549 zeta(29)=0 Stats: nr=31 min=1 max=189 Emax=8.004544229699334 nrkept=401 nrkeptmult=973 Total energy=-2.884471593347465 Egs=-0.9984841883311636 Kept: 401 out of 1471, ratio=0.273 Memory used: 70 MB Time elapsed: 2 s ***** [NRG] Iteration 30/66 (scale 3.1132185259911788e-05) ***** [1] xi(29)=3.113218523091768e-05 xi_scaled(29)=0.9999999990686774 zeta(30)=0 Stats: nr=32 min=1 max=174 Emax=8.017083385876965 nrkept=362 nrkeptmult=867 Total energy=-2.884514683002694 Egs=-1.384087074829832 Kept: 362 out of 1507, ratio=0.24 Memory used: 70 MB Time elapsed: 2 s ***** [NRG] Iteration 31/66 (scale 2.2013779310439505e-05) ***** [1] xi(30)=2.201377930018854e-05 xi_scaled(30)=0.9999999995343387 zeta(31)=0 Stats: nr=31 min=1 max=181 Emax=8.022580450480071 nrkept=382 nrkeptmult=916 Total energy=-2.884535218832593 Egs=-0.9328625316529524 Kept: 382 out of 1361, ratio=0.281 Memory used: 70 MB Time elapsed: 2 s ***** [NRG] Iteration 32/66 (scale 1.5566092629955894e-05) ***** [1] xi(31)=1.556609262633163e-05 xi_scaled(31)=0.9999999997671692 zeta(32)=0 Stats: nr=30 min=1 max=169 Emax=8.000498232903864 nrkept=339 nrkeptmult=801 Total energy=-2.884557927482406 Egs=-1.458853570612123 Kept: 339 out of 1435, ratio=0.236 Memory used: 70 MB Time elapsed: 2 s ***** [NRG] Iteration 33/66 (scale 1.1006889655219752e-05) ***** [1] xi(32)=1.100688965393838e-05 xi_scaled(32)=0.9999999998835847 zeta(33)=0 Stats: nr=31 min=1 max=173 Emax=8.002931416180679 nrkept=355 nrkeptmult=828 Total energy=-2.884567776923495 Egs=-0.8948432661267799 Kept: 355 out of 1272, ratio=0.279 Memory used: 70 MB Time elapsed: 2 s ***** [NRG] Iteration 34/66 (scale 7.7830463149779469e-06) ***** [1] xi(33)=7.783046314524915e-06 xi_scaled(33)=0.9999999999417925 zeta(34)=0 Stats: nr=29 min=1 max=161 Emax=8.017835426590127 nrkept=309 nrkeptmult=717 Total energy=-2.884579441801487 Egs=-1.498754795855002 Kept: 309 out of 1330, ratio=0.232 Memory used: 70 MB Time elapsed: 2 s ***** [NRG] Iteration 35/66 (scale 5.5034448276098762e-06) ***** [1] xi(34)=5.503444827449705e-06 xi_scaled(34)=0.9999999999708962 zeta(35)=0 Stats: nr=30 min=1 max=160 Emax=8.000362895899364 nrkept=327 nrkeptmult=757 Total energy=-2.884584340931767 Egs=-0.890193403227887 Kept: 327 out of 1157, ratio=0.283 Memory used: 70 MB Time elapsed: 2 s ***** [NRG] Iteration 36/66 (scale 3.8915231574889735e-06) ***** [1] xi(35)=3.891523157432344e-06 xi_scaled(35)=0.9999999999854481 zeta(36)=0 Stats: nr=27 min=1 max=153 Emax=8.011695108122286 nrkept=280 nrkeptmult=644 Total energy=-2.884590162120779 Egs=-1.495863901147132 Kept: 280 out of 1224, ratio=0.229 Memory used: 70 MB Time elapsed: 2 s ***** [NRG] Iteration 37/66 (scale 2.7517224138049381e-06) ***** [1] xi(36)=2.751722413784917e-06 xi_scaled(36)=0.999999999992724 zeta(37)=0 Stats: nr=29 min=1 max=145 Emax=8.00255155349703 nrkept=301 nrkeptmult=693 Total energy=-2.884592603802575 Egs=-0.8873285270489563 Kept: 301 out of 1047, ratio=0.287 Memory used: 70 MB Time elapsed: 2 s ***** [NRG] Iteration 38/66 (scale 1.9457615787444867e-06) ***** [1] xi(37)=1.945761578737408e-06 xi_scaled(37)=0.999999999996362 zeta(38)=0 Stats: nr=27 min=1 max=143 Emax=8.007175969030015 nrkept=257 nrkeptmult=577 Total energy=-2.884595510973104 Egs=-1.494104190508891 Kept: 257 out of 1125, ratio=0.228 Memory used: 70 MB Time elapsed: 2 s ***** [NRG] Iteration 39/66 (scale 1.3758612069024691e-06) ***** [1] xi(38)=1.375861206899966e-06 xi_scaled(38)=0.9999999999981811 zeta(39)=0 Stats: nr=29 min=1 max=138 Emax=8.012588077054732 nrkept=271 nrkeptmult=612 Total energy=-2.884596729573223 Egs=-0.885699889933234 Kept: 271 out of 958, ratio=0.283 Memory used: 70 MB Time elapsed: 2 s ***** [NRG] Iteration 40/66 (scale 9.7288078937224336e-07) ***** [1] xi(39)=9.728807893713586e-07 xi_scaled(39)=0.9999999999990906 zeta(40)=0 Stats: nr=27 min=1 max=128 Emax=8.006019419727597 nrkept=249 nrkeptmult=559 Total energy=-2.884598182199993 Egs=-1.493118978151446 Kept: 249 out of 1011, ratio=0.246 Memory used: 70 MB Time elapsed: 2 s ***** [NRG] Iteration 41/66 (scale 6.8793060345123453e-07) ***** [1] xi(40)=6.879306034509217e-07 xi_scaled(40)=0.9999999999995453 zeta(41)=0 Stats: nr=29 min=1 max=132 Emax=8.000862360682492 nrkept=251 nrkeptmult=558 Total energy=-2.884598790897424 Egs=-0.8848238869888665 Kept: 251 out of 928, ratio=0.27 Memory used: 70 MB Time elapsed: 3 s ***** [NRG] Iteration 42/66 (scale 4.8644039468612168e-07) ***** [1] xi(41)=4.86440394686011e-07 xi_scaled(41)=0.9999999999997725 zeta(42)=0 Stats: nr=26 min=1 max=117 Emax=8.004046577853732 nrkept=241 nrkeptmult=538 Total energy=-2.884599516955975 Egs=-1.4925951043269 Kept: 241 out of 934, ratio=0.258 Memory used: 70 MB Time elapsed: 3 s ***** [NRG] Iteration 43/66 (scale 3.4396530172561726e-07) ***** [1] xi(42)=3.439653017255781e-07 xi_scaled(42)=0.9999999999998863 zeta(43)=0 Stats: nr=29 min=1 max=129 Emax=8.012993448479396 nrkept=245 nrkeptmult=541 Total energy=-2.884599821148003 Egs=-0.8843683522585596 Kept: 245 out of 897, ratio=0.273 Memory used: 70 MB Time elapsed: 3 s ***** [NRG] Iteration 44/66 (scale 2.4322019734306084e-07) ***** [1] xi(43)=2.43220197343047e-07 xi_scaled(43)=0.9999999999999432 zeta(44)=0 Stats: nr=26 min=1 max=113 Emax=8.041804663176416 nrkept=241 nrkeptmult=537 Total energy=-2.884600184111477 Egs=-1.492324563494275 Kept: 241 out of 911, ratio=0.265 Memory used: 70 MB Time elapsed: 3 s ***** [NRG] Iteration 45/66 (scale 1.7198265086280863e-07) ***** [1] xi(44)=1.719826508628037e-07 xi_scaled(44)=0.9999999999999716 zeta(45)=0 Stats: nr=29 min=1 max=129 Emax=8.000132739267475 nrkept=242 nrkeptmult=533 Total energy=-2.884600336167511 Egs=-0.8841358886705533 Kept: 242 out of 897, ratio=0.27 Memory used: 70 MB Time elapsed: 3 s ***** [NRG] Iteration 46/66 (scale 1.2161009867153042e-07) ***** [1] xi(45)=1.216100986715287e-07 xi_scaled(45)=0.9999999999999859 zeta(46)=0 Stats: nr=26 min=1 max=112 Emax=8.002538631159215 nrkept=240 nrkeptmult=534 Total energy=-2.884600517632523 Egs=-1.49218703076785 Kept: 240 out of 900, ratio=0.267 Memory used: 70 MB Time elapsed: 3 s ***** [NRG] Iteration 47/66 (scale 8.5991325431404316e-08) ***** [1] xi(46)=8.599132543140371e-08 xi_scaled(46)=0.9999999999999929 zeta(47)=0 Stats: nr=29 min=1 max=129 Emax=8.004678413061287 nrkept=238 nrkeptmult=526 Total energy=-2.884600593650441 Egs=-0.8840184419718978 Kept: 238 out of 893, ratio=0.267 Memory used: 70 MB Time elapsed: 3 s ***** [NRG] Iteration 48/66 (scale 6.080504933576521e-08) ***** [1] xi(47)=6.0805049335765e-08 xi_scaled(47)=0.9999999999999966 zeta(48)=0 Stats: nr=26 min=1 max=109 Emax=8.002279428663247 nrkept=239 nrkeptmult=533 Total energy=-2.88460068437873 Egs=-1.492117677522263 Kept: 239 out of 885, ratio=0.27 Memory used: 70 MB Time elapsed: 3 s ***** [NRG] Iteration 49/66 (scale 4.2995662715702158e-08) ***** [1] xi(48)=4.299566271570209e-08 xi_scaled(48)=0.9999999999999983 zeta(49)=0 Stats: nr=29 min=1 max=128 Emax=8.008266468585333 nrkept=237 nrkeptmult=522 Total energy=-2.884600722385151 Egs=-0.8839594086654783 Kept: 237 out of 890, ratio=0.266 Memory used: 70 MB Time elapsed: 3 s ***** [NRG] Iteration 50/66 (scale 3.0402524667882605e-08) ***** [1] xi(49)=3.040252466788258e-08 xi_scaled(49)=0.9999999999999991 zeta(50)=0 Stats: nr=26 min=1 max=109 Emax=8.010187699245352 nrkept=239 nrkeptmult=533 Total energy=-2.884600767748236 Egs=-1.492082851352962 Kept: 239 out of 881, ratio=0.271 Memory used: 70 MB Time elapsed: 3 s ***** [NRG] Iteration 51/66 (scale 2.1497831357851079e-08) ***** [1] xi(50)=2.149783135785107e-08 xi_scaled(50)=0.9999999999999996 zeta(51)=0 Stats: nr=29 min=1 max=128 Emax=8.010054346501676 nrkept=237 nrkeptmult=522 Total energy=-2.884600786750811 Egs=-0.8839298191220735 Kept: 237 out of 890, ratio=0.266 Memory used: 70 MB Time elapsed: 3 s ***** [NRG] Iteration 52/66 (scale 1.5201262333941303e-08) ***** [1] xi(51)=1.52012623339413e-08 xi_scaled(51)=0.9999999999999998 zeta(52)=0 Stats: nr=26 min=1 max=109 Emax=8.014142405659047 nrkept=239 nrkeptmult=533 Total energy=-2.884600809432088 Egs=-1.492065395116931 Kept: 239 out of 881, ratio=0.271 Memory used: 70 MB Time elapsed: 3 s ***** [NRG] Iteration 53/66 (scale 1.0748915678925539e-08) ***** [1] xi(52)=1.074891567892554e-08 xi_scaled(52)=0.9999999999999999 zeta(53)=0 Stats: nr=29 min=1 max=128 Emax=8.010946701682373 nrkept=237 nrkeptmult=522 Total energy=-2.884600818933216 Egs=-0.8839150096122864 Kept: 237 out of 890, ratio=0.266 Memory used: 70 MB Time elapsed: 3 s ***** [NRG] Iteration 54/66 (scale 7.6006311669706513e-09) ***** [1] xi(53)=7.600631166970651e-09 xi_scaled(53)=1 zeta(54)=0 Stats: nr=26 min=1 max=109 Emax=8.016119465922461 nrkept=239 nrkeptmult=533 Total energy=-2.884600830273788 Egs=-1.492056651415812 Kept: 239 out of 881, ratio=0.271 Memory used: 70 MB Time elapsed: 3 s ***** [NRG] Iteration 55/66 (scale 5.3744578394627697e-09) ***** [1] xi(54)=5.37445783946277e-09 xi_scaled(54)=1 zeta(55)=0 Stats: nr=29 min=1 max=128 Emax=8.011392506454072 nrkept=237 nrkeptmult=522 Total energy=-2.884600835024312 Egs=-0.8839076048395416 Kept: 237 out of 890, ratio=0.266 Memory used: 70 MB Time elapsed: 3 s ***** [NRG] Iteration 56/66 (scale 3.8003155834853256e-09) ***** [1] xi(55)=3.800315583485326e-09 xi_scaled(55)=1 zeta(56)=0 Stats: nr=26 min=1 max=109 Emax=8.017107982126911 nrkept=239 nrkeptmult=533 Total energy=-2.884600840694582 Egs=-1.492052270927659 Kept: 239 out of 881, ratio=0.271 Memory used: 70 MB Time elapsed: 3 s ***** [NRG] Iteration 57/66 (scale 2.6872289197313849e-09) ***** [1] xi(56)=2.687228919731385e-09 xi_scaled(56)=1 zeta(57)=0 Stats: nr=29 min=1 max=128 Emax=8.01161530706033 nrkept=237 nrkeptmult=522 Total energy=-2.884600843069834 Egs=-0.8839039061023906 Kept: 237 out of 890, ratio=0.266 Memory used: 70 MB Time elapsed: 3 s ***** [NRG] Iteration 58/66 (scale 1.9001577917426628e-09) ***** [1] xi(57)=1.900157791742663e-09 xi_scaled(57)=1 zeta(58)=0 Stats: nr=26 min=1 max=109 Emax=8.017602236076398 nrkept=239 nrkeptmult=533 Total energy=-2.884600845904964 Egs=-1.49205007379805 Kept: 239 out of 881, ratio=0.271 Memory used: 70 MB Time elapsed: 3 s ***** [NRG] Iteration 59/66 (scale 1.3436144598656924e-09) ***** [1] xi(58)=1.343614459865692e-09 xi_scaled(58)=1 zeta(59)=0 Stats: nr=29 min=1 max=128 Emax=8.011726671853641 nrkept=237 nrkeptmult=522 Total energy=-2.884600847092588 Egs=-0.883902061288781 Kept: 237 out of 890, ratio=0.266 Memory used: 70 MB Time elapsed: 3 s ***** [NRG] Iteration 60/66 (scale 9.5007889587133141e-10) ***** [1] xi(59)=9.500788958713314e-10 xi_scaled(59)=1 zeta(60)=0 Stats: nr=26 min=1 max=109 Emax=8.01784936188985 nrkept=239 nrkeptmult=533 Total energy=-2.884600848510152 Egs=-1.492048968791945 Kept: 239 out of 881, ratio=0.271 Memory used: 70 MB Time elapsed: 3 s ***** [NRG] Iteration 61/66 (scale 6.7180722993284622e-10) ***** [1] xi(60)=6.718072299328462e-10 xi_scaled(60)=1 zeta(61)=0 Stats: nr=29 min=1 max=128 Emax=8.011782335325769 nrkept=237 nrkeptmult=522 Total energy=-2.884600849103963 Egs=-0.883901143657442 Kept: 237 out of 890, ratio=0.266 Memory used: 70 MB Time elapsed: 3 s ***** [NRG] Iteration 62/66 (scale 4.750394479356657e-10) ***** [1] xi(61)=4.750394479356657e-10 xi_scaled(61)=1 zeta(62)=0 Stats: nr=26 min=1 max=109 Emax=8.017972924760212 nrkept=239 nrkeptmult=533 Total energy=-2.884600849812745 Egs=-1.492048409961497 Kept: 239 out of 881, ratio=0.271 Memory used: 70 MB Time elapsed: 3 s ***** [NRG] Iteration 63/66 (scale 3.3590361496642311e-10) ***** [1] xi(62)=3.359036149664231e-10 xi_scaled(62)=1 zeta(63)=0 Stats: nr=29 min=1 max=128 Emax=8.011810152369314 nrkept=237 nrkeptmult=522 Total energy=-2.884600850109651 Egs=-0.8839006896693576 Kept: 237 out of 890, ratio=0.266 Memory used: 70 MB Time elapsed: 3 s ***** [NRG] Iteration 64/66 (scale 2.3751972396783285e-10) ***** [1] xi(63)=2.375197239678329e-10 xi_scaled(63)=1 zeta(64)=0 Stats: nr=26 min=1 max=109 Emax=8.018034706615397 nrkept=239 nrkeptmult=533 Total energy=-2.884600850464042 Egs=-1.492048124248758 Kept: 239 out of 881, ratio=0.271 Memory used: 70 MB Time elapsed: 3 s ***** [NRG] Iteration 65/66 (scale 1.6795180748321155e-10) ***** [1] xi(64)=1.679518074832116e-10 xi_scaled(64)=1 zeta(65)=0 Stats: nr=29 min=1 max=128 Emax=8.011824047307991 nrkept=237 nrkeptmult=522 Total energy=-2.884600850612494 Egs=-0.8839004675144059 Kept: 237 out of 890, ratio=0.266 Memory used: 70 MB Time elapsed: 3 s ***** [NRG] Iteration 66/66 (scale 1.1875986198391643e-10) ***** [1] xi(65)=1.187598619839164e-10 xi_scaled(65)=1 zeta(66)=0 Stats: nr=26 min=1 max=109 Emax=8.018065598163023 nrkept=239 nrkeptmult=533 Total energy=-2.88460085078969 Egs=-1.492047975103032 Kept: 239 out of 881, ratio=0.271 Memory used: 70 MB Time elapsed: 3 s ** Iteration completed. Total energy: -2.88460085078969 TKW=1.203926171248212e-05 Memory usage report =================== after diag: 72340 kB after recalc: 72340 kB after split: 72340 kB after trim: 72340 kB after trunc: 72340 kB diag_h: 72340 kB Peak usage: 72340 kB Timing report ============= All: 3 s diag: 3 s recalc f: 0 s Other: 0 s