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=/work/zitko/nrg/work.BoGFacDts7 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=0 Nmax=66 subspaces=4 Reading <||||> (e) Reading <||||> (z) length_coef_table=66 Nmax=66 Number of invariant subspaces: 4 (-1 2) 1 states 0.1470387215202821 (0 1) 1 states 0 (0 3) 1 states 0.1960516286937095 (1 2) 1 states 0.1470387215202821 Number of states (multiplicity taken into account): 8 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=8 min=1 max=4 Emax=3.033314181875486 nrkept=15 nrkeptmult=32 Total energy=-1.094352759815703 Egs=-1.309150905840516 Kept: 15 out of 15, ratio=1 Memory used: 46 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=13 min=1 max=9 Emax=5.540799429450456 nrkept=56 nrkeptmult=128 Total energy=-1.434928402021808 Egs=-0.6677040934791297 Kept: 56 out of 56, ratio=1 Memory used: 46 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=19 min=1 max=35 Safeguard: keep additional 1 states Emax=10.03854867875642 nrkept=209 nrkeptmult=510 Total energy=-1.92821069776285 Egs=-1.36766893005216 Kept: 209 out of 210, ratio=0.995 Memory used: 54 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=26 min=1 max=98 Safeguard: keep additional 1 states Emax=10.00810443557119 nrkept=572 nrkeptmult=1476 Total energy=-2.145167139009101 Egs=-0.8506932732383737 Kept: 572 out of 788, ratio=0.726 Memory used: 67 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=34 min=1 max=260 Emax=10.02654776282873 nrkept=753 nrkeptmult=1946 Total energy=-2.400664546748111 Egs=-1.416778462517352 Kept: 753 out of 2169, ratio=0.347 Memory used: 70 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=40 min=1 max=307 Safeguard: keep additional 3 states Emax=10.00405354262761 nrkept=918 nrkeptmult=2340 Total energy=-2.516801445739555 Egs=-0.9107531279483774 Kept: 918 out of 2854, ratio=0.322 Memory used: 73 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=34 min=1 max=416 Emax=10.00712510826338 nrkept=797 nrkeptmult=2050 Total energy=-2.645027579649208 Egs=-1.422073331097246 Kept: 797 out of 3477, ratio=0.229 Memory used: 77 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=40 min=1 max=327 Safeguard: keep additional 1 states Emax=10.0095516685885 nrkept=914 nrkeptmult=2324 Total energy=-2.704632365378997 Egs=-0.9348492256211826 Kept: 914 out of 3020, ratio=0.303 Memory used: 77 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=34 min=1 max=416 Emax=10.00575818170924 nrkept=797 nrkeptmult=2050 Total energy=-2.768299253317213 Egs=-1.412176763820811 Kept: 797 out of 3461, ratio=0.23 Memory used: 77 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=40 min=1 max=327 Emax=10.0007592714921 nrkept=899 nrkeptmult=2281 Total energy=-2.798613975977387 Egs=-0.9509201201480355 Kept: 899 out of 3020, ratio=0.298 Memory used: 77 MB Time elapsed: 0 s ***** [NRG] Iteration 11/66 (scale 0.022542110013890053) ***** [1] xi(10)=0.02253110983902919 xi_scaled(10)=0.9995120166278095 zeta(11)=0 Stats: nr=34 min=1 max=411 Emax=10.0102257703852 nrkept=797 nrkeptmult=2050 Total energy=-2.830091642898589 Egs=-1.396393988930326 Kept: 797 out of 3401, ratio=0.234 Memory used: 77 MB Time elapsed: 0 s ***** [NRG] Iteration 12/66 (scale 0.015939678853074835) ***** [1] xi(11)=0.01593578851722613 xi_scaled(11)=0.9997559338626226 zeta(12)=0 Stats: nr=40 min=1 max=327 Safeguard: keep additional 1 states Emax=10.00690506793517 nrkept=886 nrkeptmult=2244 Total energy=-2.845502165423418 Egs=-0.9668025728044085 Kept: 886 out of 3020, ratio=0.293 Memory used: 77 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=34 min=1 max=404 Emax=10.01746697478657 nrkept=797 nrkeptmult=2050 Total energy=-2.861019854172855 Egs=-1.376773402301307 Kept: 797 out of 3349, ratio=0.238 Memory used: 77 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=40 min=1 max=327 Safeguard: keep additional 3 states Emax=10.00489611208633 nrkept=878 nrkeptmult=2224 Total energy=-2.868870055785488 Egs=-0.984988679507667 Kept: 878 out of 3020, ratio=0.291 Memory used: 77 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=34 min=1 max=398 Safeguard: keep additional 3 states Emax=10.02451841293045 nrkept=800 nrkeptmult=2058 Total energy=-2.876496373475458 Egs=-1.353257114843437 Kept: 800 out of 3317, ratio=0.241 Memory used: 77 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=40 min=1 max=328 Safeguard: keep additional 1 states Emax=10.00616568743243 nrkept=864 nrkeptmult=2176 Total energy=-2.880508270090956 Egs=-1.006769747992517 Kept: 864 out of 3032, ratio=0.285 Memory used: 77 MB Time elapsed: 1 s ***** [NRG] Iteration 17/66 (scale 0.0028177637517362566) ***** [1] xi(16)=0.002817742254109917 xi_scaled(16)=0.9999923706782278 zeta(17)=0 Stats: nr=34 min=1 max=392 Safeguard: keep additional 3 states Emax=10.01264838711498 nrkept=800 nrkeptmult=2058 Total energy=-2.884242063113492 Egs=-1.325090870458846 Kept: 800 out of 3261, ratio=0.245 Memory used: 77 MB Time elapsed: 1 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=328 Safeguard: keep additional 3 states Emax=10.01964835417433 nrkept=852 nrkeptmult=2136 Total energy=-2.8863009724411 Egs=-1.03335046914644 Kept: 852 out of 3032, ratio=0.281 Memory used: 77 MB Time elapsed: 1 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=388 Safeguard: keep additional 1 states Emax=10.00295548564934 nrkept=799 nrkeptmult=2058 Total energy=-2.888120079128895 Egs=-1.291170479905577 Kept: 799 out of 3213, ratio=0.249 Memory used: 77 MB Time elapsed: 1 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=329 Safeguard: keep additional 1 states Emax=10.00467166621231 nrkept=838 nrkeptmult=2092 Total energy=-2.889182236801124 Egs=-1.066177236838201 Kept: 838 out of 3028, ratio=0.277 Memory used: 77 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=34 min=1 max=386 Safeguard: keep additional 4 states Emax=10.00546204222641 nrkept=805 nrkeptmult=2064 Total energy=-2.890062902065506 Egs=-1.250161961008081 Kept: 805 out of 3160, ratio=0.255 Memory used: 77 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=40 min=1 max=329 Safeguard: keep additional 1 states Emax=10.00159191980043 nrkept=823 nrkeptmult=2043 Total energy=-2.890614327029589 Egs=-1.107023486062494 Kept: 823 out of 3046, ratio=0.27 Memory used: 77 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=34 min=1 max=381 Safeguard: keep additional 2 states Emax=10.00209038249046 nrkept=803 nrkeptmult=2060 Total energy=-2.891037240103739 Egs=-1.200705556353785 Kept: 803 out of 3101, ratio=0.259 Memory used: 77 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=40 min=1 max=329 Safeguard: keep additional 4 states Emax=10.00338455102832 nrkept=798 nrkeptmult=1988 Total energy=-2.891325612184446 Egs=-1.157853513571588 Kept: 798 out of 3036, ratio=0.263 Memory used: 77 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=34 min=1 max=368 Safeguard: keep additional 1 states Emax=10.00510034635794 nrkept=799 nrkeptmult=2048 Total energy=-2.8915267246658 Egs=-1.141969300891735 Kept: 799 out of 3008, ratio=0.266 Memory used: 77 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=40 min=1 max=328 Safeguard: keep additional 3 states Emax=10.0156262991992 nrkept=774 nrkeptmult=1944 Total energy=-2.891678675957917 Egs=-1.220210618436917 Kept: 774 out of 3020, ratio=0.256 Memory used: 77 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=34 min=1 max=356 Safeguard: keep additional 2 states Emax=10.00449036789312 nrkept=797 nrkeptmult=2022 Total energy=-2.891773323376118 Egs=-1.074865620150085 Kept: 797 out of 2921, ratio=0.273 Memory used: 77 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=38 min=1 max=326 Safeguard: keep additional 2 states Emax=10.03565588411125 nrkept=763 nrkeptmult=1925 Total energy=-2.891853873599988 Egs=-1.293680851459658 Kept: 763 out of 3008, ratio=0.254 Memory used: 77 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=34 min=1 max=349 Safeguard: keep additional 1 states Emax=10.00124031491376 nrkept=770 nrkeptmult=1932 Total energy=-2.891898070154363 Egs=-1.003838408459706 Kept: 770 out of 2881, ratio=0.267 Memory used: 77 MB Time elapsed: 3 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=321 Safeguard: keep additional 1 states Emax=10.00126959807665 nrkept=725 nrkeptmult=1811 Total energy=-2.891940828243706 Egs=-1.373436814227825 Kept: 725 out of 2906, ratio=0.249 Memory used: 77 MB Time elapsed: 3 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=33 min=1 max=334 Safeguard: keep additional 1 states Emax=10.00278087187299 nrkept=731 nrkeptmult=1818 Total energy=-2.891961464129757 Egs=-0.9374076917660759 Kept: 731 out of 2734, ratio=0.267 Memory used: 77 MB Time elapsed: 3 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=36 min=1 max=304 Emax=10.00600219074361 nrkept=664 nrkeptmult=1634 Total energy=-2.891984022563902 Egs=-1.449203385926994 Kept: 664 out of 2756, ratio=0.241 Memory used: 77 MB Time elapsed: 3 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=33 min=1 max=314 Emax=10.01664661198716 nrkept=699 nrkeptmult=1716 Total energy=-2.891993757584382 Egs=-0.8844479035321836 Kept: 699 out of 2505, ratio=0.279 Memory used: 77 MB Time elapsed: 3 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=36 min=1 max=290 Safeguard: keep additional 3 states Emax=10.04853575163974 nrkept=617 nrkeptmult=1485 Total energy=-2.892005508849981 Egs=-1.50985425542018 Kept: 617 out of 2632, ratio=0.234 Memory used: 77 MB Time elapsed: 3 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=298 Emax=10.00372126655898 nrkept=627 nrkeptmult=1524 Total energy=-2.892010178190787 Egs=-0.8484396506739399 Kept: 627 out of 2322, ratio=0.27 Memory used: 77 MB Time elapsed: 3 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=263 Safeguard: keep additional 3 states Emax=10.00052323965986 nrkept=560 nrkeptmult=1330 Total energy=-2.892016213508723 Egs=-1.55088835177255 Kept: 560 out of 2358, ratio=0.237 Memory used: 77 MB Time elapsed: 3 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=272 Emax=10.00476949009588 nrkept=571 nrkeptmult=1338 Total energy=-2.892018488691988 Egs=-0.8268215041010627 Kept: 571 out of 2101, ratio=0.272 Memory used: 77 MB Time elapsed: 3 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=34 min=1 max=245 Emax=10.03893975922943 nrkept=518 nrkeptmult=1212 Total energy=-2.892021553870106 Egs=-1.575310228757623 Kept: 518 out of 2140, ratio=0.242 Memory used: 77 MB Time elapsed: 3 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=254 Emax=10.23810979862714 nrkept=567 nrkeptmult=1322 Total energy=-2.892022674998823 Egs=-0.8148559694494745 Kept: 567 out of 1938, ratio=0.293 Memory used: 77 MB Time elapsed: 3 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=34 min=1 max=244 Safeguard: keep additional 1 states Emax=10.06841058765059 nrkept=499 nrkeptmult=1149 Total energy=-2.892024220633573 Egs=-1.588719570728374 Kept: 499 out of 2124, ratio=0.235 Memory used: 77 MB Time elapsed: 3 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=245 Emax=10.60837802279973 nrkept=567 nrkeptmult=1322 Total energy=-2.892024776853432 Egs=-0.8085406517428619 Kept: 567 out of 1862, ratio=0.305 Memory used: 77 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=34 min=1 max=244 Safeguard: keep additional 1 states Emax=10.32204490499831 nrkept=499 nrkeptmult=1149 Total energy=-2.892025553094255 Egs=-1.595757324977854 Kept: 499 out of 2124, ratio=0.235 Memory used: 77 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=33 min=1 max=245 Emax=10.72176632660566 nrkept=567 nrkeptmult=1322 Total energy=-2.892025830087189 Egs=-0.8052932441628098 Kept: 567 out of 1862, ratio=0.305 Memory used: 77 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=34 min=1 max=244 Safeguard: keep additional 1 states Emax=10.4696994640012 nrkept=499 nrkeptmult=1149 Total energy=-2.892026219084831 Egs=-1.599364061649435 Kept: 499 out of 2124, ratio=0.235 Memory used: 77 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=33 min=1 max=245 Emax=10.7814004705937 nrkept=567 nrkeptmult=1322 Total energy=-2.892026357298031 Egs=-0.8036461754029762 Kept: 567 out of 1862, ratio=0.305 Memory used: 77 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=34 min=1 max=244 Emax=10.50893472143888 nrkept=498 nrkeptmult=1142 Total energy=-2.892026552018904 Egs=-1.601189995239095 Kept: 498 out of 2124, ratio=0.234 Memory used: 77 MB Time elapsed: 4 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=246 Emax=10.81167800849665 nrkept=567 nrkeptmult=1322 Total energy=-2.892026621054174 Egs=-0.8028166761677863 Kept: 567 out of 1857, ratio=0.305 Memory used: 77 MB Time elapsed: 4 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 Emax=10.51746992797993 nrkept=498 nrkeptmult=1142 Total energy=-2.892026718470471 Egs=-1.602108680121784 Kept: 498 out of 2124, ratio=0.234 Memory used: 77 MB Time elapsed: 4 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=246 Emax=10.82673375140825 nrkept=567 nrkeptmult=1322 Total energy=-2.892026752970209 Egs=-0.8024004193473473 Kept: 567 out of 1857, ratio=0.305 Memory used: 77 MB Time elapsed: 4 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=10.52176233572022 nrkept=498 nrkeptmult=1142 Total energy=-2.892026801692366 Egs=-1.602569461799406 Kept: 498 out of 2124, ratio=0.234 Memory used: 77 MB Time elapsed: 4 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=10.83271282188803 nrkept=567 nrkeptmult=1324 Total energy=-2.892026818937753 Egs=-0.8021919121075411 Kept: 567 out of 1857, ratio=0.305 Memory used: 77 MB Time elapsed: 4 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=243 Emax=10.52392617252751 nrkept=498 nrkeptmult=1142 Total energy=-2.892026843302339 Egs=-1.602800213663433 Kept: 498 out of 2124, ratio=0.234 Memory used: 77 MB Time elapsed: 4 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=10.83518152647561 nrkept=567 nrkeptmult=1324 Total energy=-2.892026851923911 Egs=-0.8020875635258864 Kept: 567 out of 1857, ratio=0.305 Memory used: 77 MB Time elapsed: 4 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=243 Emax=10.52500448212774 nrkept=498 nrkeptmult=1142 Total energy=-2.892026864107081 Egs=-1.602915680003515 Kept: 498 out of 2124, ratio=0.234 Memory used: 77 MB Time elapsed: 4 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=10.83641429480123 nrkept=567 nrkeptmult=1324 Total energy=-2.892026868417587 Egs=-0.8020353654632209 Kept: 567 out of 1857, ratio=0.305 Memory used: 77 MB Time elapsed: 4 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=10.52554404533721 nrkept=498 nrkeptmult=1142 Total energy=-2.892026874509392 Egs=-1.602973435794122 Kept: 498 out of 2124, ratio=0.234 Memory used: 77 MB Time elapsed: 4 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=10.83703027820494 nrkept=567 nrkeptmult=1324 Total energy=-2.892026876664574 Egs=-0.8020092604853386 Kept: 567 out of 1857, ratio=0.305 Memory used: 77 MB Time elapsed: 4 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=10.52581392918312 nrkept=498 nrkeptmult=1142 Total energy=-2.892026879710532 Egs=-1.603002319346685 Kept: 498 out of 2124, ratio=0.234 Memory used: 77 MB Time elapsed: 4 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=10.83733817062831 nrkept=567 nrkeptmult=1324 Total energy=-2.892026880788105 Egs=-0.8019962065094778 Kept: 567 out of 1857, ratio=0.305 Memory used: 77 MB Time elapsed: 4 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=10.52594889667542 nrkept=498 nrkeptmult=1142 Total energy=-2.892026882311098 Egs=-1.603016762537434 Kept: 498 out of 2124, ratio=0.234 Memory used: 77 MB Time elapsed: 4 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 Safeguard: keep additional 2 states Emax=10.83749982425803 nrkept=569 nrkeptmult=1330 Total energy=-2.89202688284988 Egs=-0.8019896791498687 Kept: 569 out of 1857, ratio=0.306 Memory used: 77 MB Time elapsed: 4 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=244 Emax=10.52601638681295 nrkept=498 nrkeptmult=1142 Total energy=-2.89202688361138 Egs=-1.60302398448638 Kept: 498 out of 2132, ratio=0.234 Memory used: 77 MB Time elapsed: 4 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 Safeguard: keep additional 5 states Emax=10.83758121505976 nrkept=572 nrkeptmult=1334 Total energy=-2.89202688388077 Egs=-0.8019864153771867 Kept: 572 out of 1857, ratio=0.308 Memory used: 77 MB Time elapsed: 4 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=246 Emax=10.52603570234681 nrkept=498 nrkeptmult=1142 Total energy=-2.89202688426152 Egs=-1.603027595549242 Kept: 498 out of 2142, ratio=0.232 Memory used: 77 MB Time elapsed: 4 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 8 states Emax=10.83761278701808 nrkept=575 nrkeptmult=1340 Total energy=-2.892026884396215 Egs=-0.8019847834676173 Kept: 575 out of 1857, ratio=0.31 Memory used: 77 MB Time elapsed: 4 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=248 Emax=10.52605257674354 nrkept=498 nrkeptmult=1142 Total energy=-2.892026884586591 Egs=-1.603029401102764 Kept: 498 out of 2154, ratio=0.231 Memory used: 77 MB Time elapsed: 4 s ** Iteration completed. Total energy: -2.892026884586591 TKW=1.101559666115562e-05 Memory usage report =================== after diag: 79608 kB after recalc: 79608 kB after split: 79608 kB after trim: 79608 kB after trunc: 79608 kB diag_h: 79608 kB Peak usage: 79608 kB Timing report ============= All: 4 s diag: 4 s recalc f: 0 s Other: 0 s