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=10 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= 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 0.04390971719410867 (-1 2) 2 states 0.02062117591551605 0.06229696775535856 (0 1) 3 states 0 0.04390971719410867 0.08291814367087462 (0 3) 1 states 0.03900842647676593 (1 2) 2 states 0.02062117591551605 0.06229696775535856 (2 1) 1 states 0.04390971719410867 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=3.032891751092634 nrkept=35 nrkeptmult=64 Total energy=-1.091384472213597 Egs=-1.457813893873241 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=5.478567782706708 nrkept=126 nrkeptmult=256 Total energy=-1.394725776498355 Egs=-0.5947055675510098 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 Emax=10.00443184391298 nrkept=456 nrkeptmult=1014 Total energy=-1.924357941350657 Egs=-1.468452167204934 Kept: 456 out of 462, ratio=0.987 Memory used: 59 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=206 Safeguard: keep additional 2 states Emax=10.89507654032525 nrkept=1261 nrkeptmult=3043 Total energy=-2.125664163993974 Egs=-0.7893282563080154 Kept: 1261 out of 1694, ratio=0.744 Memory used: 62 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=36 min=1 max=561 Safeguard: keep additional 2 states Emax=10.00890056397017 nrkept=1685 nrkeptmult=4170 Total energy=-2.396469123828279 Egs=-1.501661555126381 Kept: 1685 out of 4734, ratio=0.356 Memory used: 67 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=42 min=1 max=647 Safeguard: keep additional 2 states Emax=10.86045891202096 nrkept=2123 nrkeptmult=5283 Total energy=-2.506011611643668 Egs=-0.859039325894713 Kept: 2123 out of 6338, ratio=0.335 Memory used: 90 MB Time elapsed: 1 s ***** [NRG] Iteration 7/66 (scale 0.090168440055560212) ***** [1] xi(6)=0.08947082529362729 xi_scaled(6)=0.9922632047143872 zeta(7)=0 Stats: nr=44 min=1 max=909 Safeguard: keep additional 3 states Emax=10.03401313148133 nrkept=1786 nrkeptmult=4412 Total energy=-2.640728364903082 Egs=-1.494056603135248 Kept: 1786 out of 8006, ratio=0.223 Memory used: 78 MB Time elapsed: 2 s ***** [NRG] Iteration 8/66 (scale 0.063758715412299341) ***** [1] xi(7)=0.06351086930807648 xi_scaled(7)=0.9961127494081373 zeta(8)=0 Stats: nr=42 min=1 max=693 Safeguard: keep additional 1 states Emax=10.00453814324082 nrkept=1970 nrkeptmult=4888 Total energy=-2.697675979555924 Egs=-0.893173808232915 Kept: 1970 out of 6722, ratio=0.293 Memory used: 78 MB Time elapsed: 3 s ***** [NRG] Iteration 9/66 (scale 0.045084220027780106) ***** [1] xi(8)=0.04499637947017967 xi_scaled(8)=0.9980516340851342 zeta(9)=0 Stats: nr=44 min=1 max=850 Safeguard: keep additional 1 states Emax=10.00224405588105 nrkept=1660 nrkeptmult=4126 Total energy=-2.764009956018192 Egs=-1.47133468032483 Kept: 1660 out of 7433, ratio=0.223 Memory used: 89 MB Time elapsed: 4 s ***** [NRG] Iteration 10/66 (scale 0.031879357706149671) ***** [1] xi(9)=0.03184826348698654 xi_scaled(9)=0.9990246284304175 zeta(10)=0 Stats: nr=42 min=1 max=649 Emax=10.07530272537365 nrkept=1873 nrkeptmult=4641 Total energy=-2.793288160113097 Egs=-0.918406335685279 Kept: 1873 out of 6268, ratio=0.299 Memory used: 78 MB Time elapsed: 5 s ***** [NRG] Iteration 11/66 (scale 0.022542110013890053) ***** [1] xi(10)=0.02253110983902919 xi_scaled(10)=0.9995120166278095 zeta(11)=0 Stats: nr=42 min=1 max=815 Safeguard: keep additional 1 states Emax=10.00013826903024 nrkept=1626 nrkeptmult=4036 Total energy=-2.825850201865699 Egs=-1.444498395781826 Kept: 1626 out of 7056, ratio=0.23 Memory used: 89 MB Time elapsed: 6 s ***** [NRG] Iteration 12/66 (scale 0.015939678853074835) ***** [1] xi(11)=0.01593578851722613 xi_scaled(11)=0.9997559338626226 zeta(12)=0 Stats: nr=42 min=1 max=633 Emax=10.04244342392892 nrkept=1737 nrkeptmult=4323 Total energy=-2.840833289440475 Egs=-0.9399867910064672 Kept: 1737 out of 6132, ratio=0.283 Memory used: 92 MB Time elapsed: 7 s ***** [NRG] Iteration 13/66 (scale 0.011271055006945026) ***** [1] xi(12)=0.01126967935565226 xi_scaled(12)=0.9998779483116782 zeta(13)=0 Stats: nr=42 min=1 max=757 Emax=10.00181113466395 nrkept=1551 nrkeptmult=3816 Total energy=-2.856820171778394 Egs=-1.418401589564472 Kept: 1551 out of 6545, ratio=0.237 Memory used: 96 MB Time elapsed: 7 s ***** [NRG] Iteration 14/66 (scale 0.0079698394265374176) ***** [1] xi(13)=0.007969353023252924 xi_scaled(13)=0.9999389695000788 zeta(14)=0 Stats: nr=42 min=1 max=608 Safeguard: keep additional 1 states Emax=10.01898122408278 nrkept=1626 nrkeptmult=4012 Total energy=-2.864458096382014 Egs=-0.9583536373628048 Kept: 1626 out of 5842, ratio=0.278 Memory used: 96 MB Time elapsed: 8 s ***** [NRG] Iteration 15/66 (scale 0.0056355275034725132) ***** [1] xi(14)=0.005635355527382068 xi_scaled(14)=0.9999694835859927 zeta(15)=0 Stats: nr=40 min=1 max=714 Emax=10.02376266463836 nrkept=1471 nrkeptmult=3644 Total energy=-2.872317400863687 Egs=-1.394599614114359 Kept: 1471 out of 6121, ratio=0.24 Memory used: 96 MB Time elapsed: 9 s ***** [NRG] Iteration 16/66 (scale 0.0039849197132687088) ***** [1] xi(15)=0.00398485890937912 xi_scaled(15)=0.9999847415019714 zeta(16)=0 Stats: nr=40 min=1 max=578 Safeguard: keep additional 3 states Emax=10.00497600115539 nrkept=1440 nrkeptmult=3492 Total energy=-2.876202252694471 Egs=-0.9748883566834219 Kept: 1440 out of 5538, ratio=0.26 Memory used: 96 MB Time elapsed: 9 s ***** [NRG] Iteration 17/66 (scale 0.0028177637517362566) ***** [1] xi(16)=0.002817742254109917 xi_scaled(16)=0.9999923706782278 zeta(17)=0 Stats: nr=36 min=1 max=646 Emax=10.0045146613018 nrkept=1251 nrkeptmult=3088 Total energy=-2.880067480123173 Egs=-1.371735805146928 Kept: 1251 out of 5417, ratio=0.231 Memory used: 96 MB Time elapsed: 10 s ***** [NRG] Iteration 18/66 (scale 0.0019924598566343544) ***** [1] xi(17)=0.00199245225603943 xi_scaled(17)=0.9999961853209243 zeta(18)=0 Stats: nr=40 min=1 max=498 Emax=10.00129262789206 nrkept=1235 nrkeptmult=3031 Total energy=-2.882044925009165 Egs=-0.9924641038098454 Kept: 1235 out of 4710, ratio=0.262 Memory used: 96 MB Time elapsed: 10 s ***** [NRG] Iteration 19/66 (scale 0.0014088818758681283) ***** [1] xi(18)=0.001408879188645615 xi_scaled(18)=0.9999980926559147 zeta(19)=0 Stats: nr=34 min=1 max=559 Safeguard: keep additional 1 states Emax=10.01391598153518 nrkept=1073 nrkeptmult=2688 Total energy=-2.883942769580198 Egs=-1.347057268277584 Kept: 1073 out of 4649, ratio=0.231 Memory used: 96 MB Time elapsed: 10 s ***** [NRG] Iteration 20/66 (scale 0.0009962299283171772) ***** [1] xi(19)=0.000996228978239414 xi_scaled(19)=0.9999990463268206 zeta(20)=0 Stats: nr=40 min=1 max=431 Safeguard: keep additional 2 states Emax=10.00395033563442 nrkept=1060 nrkeptmult=2660 Total energy=-2.884952690609763 Egs=-1.013742913015827 Kept: 1060 out of 4050, ratio=0.262 Memory used: 96 MB Time elapsed: 11 s ***** [NRG] Iteration 21/66 (scale 0.00070444093793406415) ***** [1] xi(20)=0.0007044406020306494 xi_scaled(20)=0.999999523163126 zeta(21)=0 Stats: nr=34 min=1 max=475 Emax=10.01299311905627 nrkept=885 nrkeptmult=2260 Total energy=-2.885881233332386 Egs=-1.318127145401114 Kept: 885 out of 4001, ratio=0.221 Memory used: 96 MB Time elapsed: 11 s ***** [NRG] Iteration 22/66 (scale 0.0004981149641585886) ***** [1] xi(21)=0.000498114845398762 xi_scaled(21)=0.9999997615814918 zeta(22)=0 Stats: nr=40 min=1 max=363 Safeguard: keep additional 1 states Emax=10.00027557031109 nrkept=898 nrkeptmult=2256 Total energy=-2.886399529417311 Egs=-1.040514985932943 Kept: 898 out of 3352, ratio=0.268 Memory used: 96 MB Time elapsed: 11 s ***** [NRG] Iteration 23/66 (scale 0.00035222046896703208) ***** [1] xi(22)=0.0003522204269790865 xi_scaled(22)=0.9999998807907282 zeta(23)=0 Stats: nr=34 min=1 max=412 Safeguard: keep additional 1 states Emax=10.0154335154628 nrkept=834 nrkeptmult=2140 Total energy=-2.886851491322665 Egs=-1.283178989227065 Kept: 834 out of 3393, ratio=0.246 Memory used: 96 MB Time elapsed: 11 s ***** [NRG] Iteration 24/66 (scale 0.0002490574820792943) ***** [1] xi(23)=0.0002490574672343127 xi_scaled(23)=0.9999999403953597 zeta(24)=0 Stats: nr=40 min=1 max=344 Safeguard: keep additional 1 states Emax=10.02033236266318 nrkept=846 nrkeptmult=2112 Total energy=-2.887119046923246 Egs=-1.074272486604989 Kept: 846 out of 3158, ratio=0.268 Memory used: 96 MB Time elapsed: 11 s ***** [NRG] Iteration 25/66 (scale 0.00017611023448351604) ***** [1] xi(24)=0.0001761102292350223 xi_scaled(24)=0.9999999701976788 zeta(25)=0 Stats: nr=34 min=1 max=388 Safeguard: keep additional 2 states Emax=10.00711461624963 nrkept=814 nrkeptmult=2080 Total energy=-2.887337553683269 Egs=-1.240738567318258 Kept: 814 out of 3189, ratio=0.255 Memory used: 96 MB Time elapsed: 11 s ***** [NRG] Iteration 26/66 (scale 0.00012452874103964715) ***** [1] xi(25)=0.0001245287391840243 xi_scaled(25)=0.9999999850988391 zeta(26)=0 Stats: nr=40 min=1 max=332 Emax=10.00154752945071 nrkept=827 nrkeptmult=2055 Total energy=-2.887476615303834 Egs=-1.116703014937934 Kept: 827 out of 3078, ratio=0.269 Memory used: 96 MB Time elapsed: 12 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=34 min=1 max=383 Safeguard: keep additional 4 states Emax=10.01120914005964 nrkept=811 nrkeptmult=2074 Total energy=-2.887581358560776 Egs=-1.189519249108613 Kept: 811 out of 3117, ratio=0.26 Memory used: 96 MB Time elapsed: 12 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=40 min=1 max=331 Safeguard: keep additional 4 states Emax=10.00775747430858 nrkept=798 nrkeptmult=1988 Total energy=-2.88765418556167 Egs=-1.169641647144141 Kept: 798 out of 3066, ratio=0.26 Memory used: 96 MB Time elapsed: 12 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=34 min=1 max=368 Emax=10.00218858755347 nrkept=798 nrkeptmult=2036 Total energy=-2.887703890869705 Egs=-1.128958988254272 Kept: 798 out of 3008, ratio=0.265 Memory used: 96 MB Time elapsed: 12 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=38 min=1 max=329 Emax=10.00199074981101 nrkept=770 nrkeptmult=1936 Total energy=-2.887742318153875 Egs=-1.234326593191365 Kept: 770 out of 3016, ratio=0.255 Memory used: 96 MB Time elapsed: 12 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=34 min=1 max=354 Safeguard: keep additional 2 states Emax=10.00660398648084 nrkept=797 nrkeptmult=2022 Total energy=-2.887765665227697 Egs=-1.060566361277778 Kept: 797 out of 2905, ratio=0.274 Memory used: 96 MB Time elapsed: 12 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=38 min=1 max=326 Safeguard: keep additional 1 states Emax=10.01003939974174 nrkept=760 nrkeptmult=1922 Total energy=-2.887786050903018 Egs=-1.309620584050036 Kept: 760 out of 3008, ratio=0.253 Memory used: 96 MB Time elapsed: 12 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=34 min=1 max=348 Emax=10.00727011847739 nrkept=768 nrkeptmult=1926 Total energy=-2.887796944242389 Egs=-0.9896837083215065 Kept: 768 out of 2872, ratio=0.267 Memory used: 96 MB Time elapsed: 12 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=38 min=1 max=319 Safeguard: keep additional 3 states Emax=10.00861574926107 nrkept=721 nrkeptmult=1795 Total energy=-2.887807758994378 Egs=-1.389526870370328 Kept: 721 out of 2898, ratio=0.249 Memory used: 96 MB Time elapsed: 13 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=33 min=1 max=332 Safeguard: keep additional 1 states Emax=10.02232533817299 nrkept=728 nrkeptmult=1800 Total energy=-2.887812851716006 Egs=-0.9253697979497054 Kept: 728 out of 2718, ratio=0.268 Memory used: 96 MB Time elapsed: 13 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=36 min=1 max=304 Safeguard: keep additional 1 states Emax=10.01334187110429 nrkept=658 nrkeptmult=1614 Total energy=-2.887818545016983 Egs=-1.463000667751201 Kept: 658 out of 2744, ratio=0.24 Memory used: 96 MB Time elapsed: 13 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=33 min=1 max=311 Safeguard: keep additional 1 states Emax=10.00875168106388 nrkept=690 nrkeptmult=1694 Total energy=-2.887820954964976 Egs=-0.8757961853498116 Kept: 690 out of 2481, ratio=0.278 Memory used: 96 MB Time elapsed: 13 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=36 min=1 max=287 Safeguard: keep additional 2 states Emax=10.01868744284235 nrkept=607 nrkeptmult=1461 Total energy=-2.887823912027518 Egs=-1.519745571088869 Kept: 607 out of 2600, ratio=0.233 Memory used: 96 MB Time elapsed: 13 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=33 min=1 max=292 Safeguard: keep additional 3 states Emax=10.01279122354284 nrkept=619 nrkeptmult=1500 Total energy=-2.88782507193922 Egs=-0.8430441214680774 Kept: 619 out of 2282, ratio=0.271 Memory used: 96 MB Time elapsed: 13 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=36 min=1 max=260 Safeguard: keep additional 2 states Emax=10.00052135559186 nrkept=549 nrkeptmult=1297 Total energy=-2.887826586720068 Egs=-1.557005610349641 Kept: 549 out of 2326, ratio=0.236 Memory used: 96 MB Time elapsed: 13 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=33 min=1 max=268 Emax=10.05482095304276 nrkept=570 nrkeptmult=1334 Total energy=-2.88782715341423 Egs=-0.8237664665638894 Kept: 570 out of 2058, ratio=0.277 Memory used: 96 MB Time elapsed: 13 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=34 min=1 max=245 Emax=10.00304856686698 nrkept=512 nrkeptmult=1190 Total energy=-2.887827921378884 Egs=-1.57874358827444 Kept: 512 out of 2136, ratio=0.24 Memory used: 96 MB Time elapsed: 13 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=33 min=1 max=251 Emax=10.33271811388258 nrkept=567 nrkeptmult=1322 Total energy=-2.887828201099412 Egs=-0.8132230958800121 Kept: 567 out of 1914, ratio=0.296 Memory used: 96 MB Time elapsed: 13 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=34 min=1 max=244 Safeguard: keep additional 1 states Emax=10.12932286580274 nrkept=499 nrkeptmult=1149 Total energy=-2.887828587951518 Egs=-1.59054268665338 Kept: 499 out of 2124, ratio=0.235 Memory used: 96 MB Time elapsed: 13 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=33 min=1 max=245 Emax=10.63729182063247 nrkept=567 nrkeptmult=1322 Total energy=-2.887828726861109 Egs=-0.8076953721211595 Kept: 567 out of 1862, ratio=0.305 Memory used: 96 MB Time elapsed: 13 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=34 min=1 max=244 Safeguard: keep additional 1 states Emax=10.35951468752431 nrkept=499 nrkeptmult=1149 Total energy=-2.887828921035622 Egs=-1.596697268185542 Kept: 499 out of 2124, ratio=0.235 Memory used: 96 MB Time elapsed: 14 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=33 min=1 max=245 Emax=10.73721450847528 nrkept=567 nrkeptmult=1322 Total energy=-2.887828990246861 Egs=-0.8048630364675041 Kept: 567 out of 1862, ratio=0.305 Memory used: 96 MB Time elapsed: 14 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=34 min=1 max=244 Safeguard: keep additional 1 states Emax=10.48978448138955 nrkept=499 nrkeptmult=1149 Total energy=-2.887829087525294 Egs=-1.599841363763026 Kept: 499 out of 2124, ratio=0.235 Memory used: 96 MB Time elapsed: 14 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=33 min=1 max=245 Emax=10.78934166897279 nrkept=567 nrkeptmult=1322 Total energy=-2.887829122069262 Egs=-0.8034291315253943 Kept: 567 out of 1862, ratio=0.305 Memory used: 96 MB Time elapsed: 14 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=34 min=1 max=244 Emax=10.51116303408672 nrkept=498 nrkeptmult=1142 Total energy=-2.887829170756793 Egs=-1.601430508987447 Kept: 498 out of 2124, ratio=0.234 Memory used: 96 MB Time elapsed: 14 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=33 min=1 max=246 Emax=10.8156624930457 nrkept=567 nrkeptmult=1322 Total energy=-2.887829188013267 Egs=-0.8027076629743735 Kept: 567 out of 1857, ratio=0.305 Memory used: 96 MB Time elapsed: 14 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=34 min=1 max=244 Emax=10.51859228233775 nrkept=498 nrkeptmult=1142 Total energy=-2.887829212369176 Egs=-1.602229406476874 Kept: 498 out of 2124, ratio=0.234 Memory used: 96 MB Time elapsed: 14 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=33 min=1 max=246 Emax=10.82862194341597 nrkept=567 nrkeptmult=1322 Total energy=-2.887829220993523 Egs=-0.8023457891408617 Kept: 567 out of 1857, ratio=0.305 Memory used: 96 MB Time elapsed: 14 s ***** [NRG] Iteration 54/66 (scale 7.6006311669706513e-09) ***** [1] xi(53)=7.600631166970651e-09 xi_scaled(53)=1 zeta(54)=0 Stats: nr=34 min=1 max=244 Emax=10.52232539066038 nrkept=498 nrkeptmult=1142 Total energy=-2.887829233174522 Egs=-1.602629942825719 Kept: 498 out of 2124, ratio=0.234 Memory used: 96 MB Time elapsed: 14 s ***** [NRG] Iteration 55/66 (scale 5.3744578394627697e-09) ***** [1] xi(54)=5.37445783946277e-09 xi_scaled(54)=1 zeta(55)=0 Stats: nr=33 min=1 max=246 Emax=10.83336011730517 nrkept=567 nrkeptmult=1324 Total energy=-2.887829237485722 Egs=-0.8021645660016503 Kept: 567 out of 1857, ratio=0.305 Memory used: 96 MB Time elapsed: 14 s ***** [NRG] Iteration 56/66 (scale 3.8003155834853256e-09) ***** [1] xi(55)=3.800315583485326e-09 xi_scaled(55)=1 zeta(56)=0 Stats: nr=34 min=1 max=243 Emax=10.5242084014011 nrkept=498 nrkeptmult=1142 Total energy=-2.887829243576984 Egs=-1.602830483698604 Kept: 498 out of 2124, ratio=0.234 Memory used: 96 MB Time elapsed: 14 s ***** [NRG] Iteration 57/66 (scale 2.6872289197313849e-09) ***** [1] xi(56)=2.687228919731385e-09 xi_scaled(56)=1 zeta(57)=0 Stats: nr=33 min=1 max=246 Emax=10.83550463622787 nrkept=567 nrkeptmult=1324 Total energy=-2.88782924573234 Egs=-0.8020738827098401 Kept: 567 out of 1857, ratio=0.305 Memory used: 96 MB Time elapsed: 14 s ***** [NRG] Iteration 58/66 (scale 1.9001577917426628e-09) ***** [1] xi(57)=1.900157791742663e-09 xi_scaled(57)=1 zeta(58)=0 Stats: nr=34 min=1 max=243 Emax=10.52514573001465 nrkept=498 nrkeptmult=1142 Total energy=-2.887829248778162 Egs=-1.602930822408992 Kept: 498 out of 2124, ratio=0.234 Memory used: 96 MB Time elapsed: 14 s ***** [NRG] Iteration 59/66 (scale 1.3436144598656924e-09) ***** [1] xi(58)=1.343614459865692e-09 xi_scaled(58)=1 zeta(59)=0 Stats: nr=33 min=1 max=246 Emax=10.83657571802176 nrkept=567 nrkeptmult=1324 Total energy=-2.887829249855779 Egs=-0.8020285231129405 Kept: 567 out of 1857, ratio=0.305 Memory used: 96 MB Time elapsed: 14 s ***** [NRG] Iteration 60/66 (scale 9.5007889587133141e-10) ***** [1] xi(59)=9.500788958713314e-10 xi_scaled(59)=1 zeta(60)=0 Stats: nr=34 min=1 max=243 Emax=10.52561470269243 nrkept=498 nrkeptmult=1142 Total energy=-2.887829251378737 Egs=-1.602981008844728 Kept: 498 out of 2124, ratio=0.234 Memory used: 96 MB Time elapsed: 14 s ***** [NRG] Iteration 61/66 (scale 6.7180722993284622e-10) ***** [1] xi(60)=6.718072299328462e-10 xi_scaled(60)=1 zeta(61)=0 Stats: nr=33 min=1 max=246 Emax=10.83711095726136 nrkept=567 nrkeptmult=1324 Total energy=-2.887829251917531 Egs=-0.8020058388244978 Kept: 567 out of 1857, ratio=0.305 Memory used: 96 MB Time elapsed: 14 s ***** [NRG] Iteration 62/66 (scale 4.750394479356657e-10) ***** [1] xi(61)=4.750394479356657e-10 xi_scaled(61)=1 zeta(62)=0 Stats: nr=34 min=1 max=243 Emax=10.52584926621802 nrkept=498 nrkeptmult=1142 Total energy=-2.887829252679022 Egs=-1.603006106334042 Kept: 498 out of 2124, ratio=0.234 Memory used: 96 MB Time elapsed: 14 s ***** [NRG] Iteration 63/66 (scale 3.3590361496642311e-10) ***** [1] xi(62)=3.359036149664231e-10 xi_scaled(62)=1 zeta(63)=0 Stats: nr=33 min=1 max=246 Emax=10.83737850206201 nrkept=567 nrkeptmult=1324 Total energy=-2.887829252948415 Egs=-0.8019944955576226 Kept: 567 out of 1857, ratio=0.305 Memory used: 96 MB Time elapsed: 14 s ***** [NRG] Iteration 64/66 (scale 2.3751972396783285e-10) ***** [1] xi(63)=2.375197239678329e-10 xi_scaled(63)=1 zeta(64)=0 Stats: nr=34 min=1 max=243 Emax=10.52596656728216 nrkept=498 nrkeptmult=1142 Total energy=-2.887829253329164 Egs=-1.60301865614662 Kept: 498 out of 2124, ratio=0.234 Memory used: 96 MB Time elapsed: 14 s ***** [NRG] Iteration 65/66 (scale 1.6795180748321155e-10) ***** [1] xi(64)=1.679518074832116e-10 xi_scaled(64)=1 zeta(65)=0 Stats: nr=33 min=1 max=246 Safeguard: keep additional 2 states Emax=10.83751745352527 nrkept=569 nrkeptmult=1330 Total energy=-2.887829253463859 Egs=-0.8019888236435888 Kept: 569 out of 1857, ratio=0.306 Memory used: 96 MB Time elapsed: 15 s ***** [NRG] Iteration 66/66 (scale 1.1875986198391643e-10) ***** [1] xi(65)=1.187598619839164e-10 xi_scaled(65)=1 zeta(66)=0 Stats: nr=34 min=1 max=244 Emax=10.5260252226384 nrkept=498 nrkeptmult=1142 Total energy=-2.887829253654234 Egs=-1.603024931319855 Kept: 498 out of 2132, ratio=0.234 Memory used: 96 MB Time elapsed: 15 s ** Iteration completed. Total energy: -2.887829253654234 TKW=3.210688178087679e-06 Memory usage report =================== after diag: 108308 kB after recalc: 111208 kB after split: 111208 kB after trim: 99012 kB after trunc: 108308 kB diag_h: 108308 kB Peak usage: 111208 kB Timing report ============= All: 15 s diag: 14 s recalc f: 0 s Other: 0 s