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.QQZFK9fMoq substeps=0 Ninit=0 Lambda=2 strategy=kept lastall=0 lastalloverride=0 z=0.625 discretization=Z band=flat bandrescale=1 betabar=1 T=-999 keep=10000 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=A_d specs= specd= spect= specq= specot= reim=0 specgt=A_d-A_d gtp=0.7 speci1t=A_d-A_d speci2t=A_d-A_d 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=67 subspaces=6 Reading <||||> (e) Reading <||A_d||> (d) Reading <||||> (z) length_coef_table=67 Nmax=67 Number of invariant subspaces: 6 (-2 1) 1 states 0.04008031405321235 (-1 2) 2 states 0.01902530410958607 0.05735591219545992 (0 1) 3 states 0 0.04008031405321235 0.07638121630504602 (0 3) 1 states 0.03630090225183364 (1 2) 2 states 0.01902530410958607 0.05735591219545992 (2 1) 1 states 0.04008031405321235 Number of states (multiplicity taken into account): 16 Computing the following operators: s=[] p=[] g=[] d=[A_d ] v=[] t=[] q=[] ot=[] Computing the following spectra: Spectrum: A_d-A_d GT Spectrum: A_d-A_d I1T Spectrum: A_d-A_d I2T Before NRG iteration (N=-1) GT[A_d-A_d]=0.2699059269019313 I1T[A_d-A_d]=5.421010862427522e-20 I2T[A_d-A_d]=0.0001785713428373056 ***** [NRG] Iteration 1/67 (scale 0.93547199716183171) ***** [1] xi(0)=0.595569897428463 xi_scaled(0)=0.6366517642809062 zeta(1)=0 Stats: nr=10 min=1 max=8 Emax=2.554217270001762 nrkept=35 nrkeptmult=64 Total energy=-1.192199365376894 Egs=-1.223098958996306 Kept: 35 out of 35, ratio=1 GT[A_d-A_d]=0.3816484833014231 I1T[A_d-A_d]=-1.92039309801495e-17 I2T[A_d-A_d]=0.0002084420302045789 Memory used: 46 MB Time elapsed: 0 s ***** [NRG] Iteration 2/67 (scale 0.66147859280325394) ***** [1] xi(1)=0.5393518119978074 xi_scaled(1)=0.8153730413438017 zeta(2)=0 Stats: nr=15 min=1 max=20 Emax=4.962764524105186 nrkept=126 nrkeptmult=256 Total energy=-1.638881246909504 Egs=-0.6752779098105572 Kept: 126 out of 126, ratio=1 GT[A_d-A_d]=0.5395764107955107 I1T[A_d-A_d]=-1.091224075618243e-16 I2T[A_d-A_d]=0.0002644328114274679 Memory used: 46 MB Time elapsed: 0 s ***** [NRG] Iteration 3/67 (scale 0.46773599858091586) ***** [1] xi(2)=0.4548286169423049 xi_scaled(2)=0.9724045579605349 zeta(3)=0 Stats: nr=21 min=1 max=75 Safeguard: keep additional 1 states Emax=9.436641073312764 nrkept=453 nrkeptmult=1010 Total energy=-2.363063814193712 Egs=-1.548272036963876 Kept: 453 out of 462, ratio=0.981 GT[A_d-A_d]=0.7627246525507433 I1T[A_d-A_d]=-5.297227585098147e-16 I2T[A_d-A_d]=0.000303170870580743 Memory used: 63 MB Time elapsed: 0 s ***** [NRG] Iteration 4/67 (scale 0.33073929640162697) ***** [1] xi(3)=0.3309626766473327 xi_scaled(3)=1.000675396749452 zeta(4)=0 Stats: nr=28 min=1 max=204 Safeguard: keep additional 1 states Emax=9.239565953635644 nrkept=1004 nrkeptmult=2408 Total energy=-2.646115872235903 Egs=-0.8558162308553513 Kept: 1004 out of 1684, ratio=0.596 GT[A_d-A_d]=1.077874219855705 I1T[A_d-A_d]=-5.672085076473804e-16 I2T[A_d-A_d]=0.000334463926464119 Memory used: 66 MB Time elapsed: 0 s ***** [NRG] Iteration 5/67 (scale 0.23386799929045793) ***** [1] xi(4)=0.2321214329909728 xi_scaled(4)=0.992531828617921 zeta(5)=0 Stats: nr=36 min=1 max=452 Safeguard: keep additional 3 states Emax=9.052967427914552 nrkept=1245 nrkeptmult=3028 Total energy=-2.999495318320984 Egs=-1.511020948386329 Kept: 1245 out of 3765, ratio=0.331 GT[A_d-A_d]=1.522703757387009 I1T[A_d-A_d]=-3.493739856880868e-16 I2T[A_d-A_d]=0.0003517353781869508 Memory used: 76 MB Time elapsed: 0 s ***** [NRG] Iteration 6/67 (scale 0.16536964820081348) ***** [1] xi(5)=0.1641549742030748 xi_scaled(5)=0.9926547948129898 zeta(6)=0 Stats: nr=40 min=1 max=496 Safeguard: keep additional 2 states Emax=9.237764705816852 nrkept=1395 nrkeptmult=3369 Total energy=-3.144243135761912 Egs=-0.8752985751360866 Kept: 1395 out of 4676, ratio=0.298 GT[A_d-A_d]=2.149980244065627 I1T[A_d-A_d]=4.248143382062193e-16 I2T[A_d-A_d]=0.0003700059535452449 Memory used: 83 MB Time elapsed: 0 s ***** [NRG] Iteration 7/67 (scale 0.11693399964522896) ***** [1] xi(6)=0.116417573191012 xi_scaled(6)=0.9955836073701083 zeta(7)=0 Stats: nr=36 min=1 max=625 Emax=9.236927025573282 nrkept=1256 nrkeptmult=3040 Total energy=-3.317967703673165 Egs=-1.485663437822392 Kept: 1256 out of 5241, ratio=0.24 GT[A_d-A_d]=3.033289646503447 I1T[A_d-A_d]=2.083431667298572e-15 I2T[A_d-A_d]=0.0003887735123421937 Memory used: 76 MB Time elapsed: 1 s ***** [NRG] Iteration 8/67 (scale 0.082684824100406742) ***** [1] xi(7)=0.08249112984916747 xi_scaled(7)=0.9976574389152226 zeta(8)=0 Stats: nr=38 min=2 max=508 Safeguard: keep additional 5 states Emax=9.559919659346424 nrkept=1398 nrkeptmult=3376 Total energy=-3.392990367024488 Egs=-0.9073329255707264 Kept: 1398 out of 4722, ratio=0.296 GT[A_d-A_d]=4.274103166865777 I1T[A_d-A_d]=4.143620219474533e-15 I2T[A_d-A_d]=0.0004182960232880697 Memory used: 75 MB Time elapsed: 1 s ***** [NRG] Iteration 9/67 (scale 0.058466999822614482) ***** [1] xi(8)=0.05839688820088294 xi_scaled(8)=0.9988008342835402 zeta(9)=0 Stats: nr=36 min=1 max=626 Emax=9.251123205836176 nrkept=1216 nrkeptmult=2944 Total energy=-3.478072871507067 Egs=-1.455222685287664 Kept: 1216 out of 5253, ratio=0.231 GT[A_d-A_d]=6.010608539207754 I1T[A_d-A_d]=5.892302905955571e-15 I2T[A_d-A_d]=0.000454635466545326 Memory used: 74 MB Time elapsed: 2 s ***** [NRG] Iteration 10/67 (scale 0.041342412050203371) ***** [1] xi(9)=0.04131735684551381 xi_scaled(9)=0.9993939588077461 zeta(10)=0 Stats: nr=38 min=2 max=491 Safeguard: keep additional 5 states Emax=9.575662821942329 nrkept=1398 nrkeptmult=3376 Total energy=-3.5168420804269 Egs=-0.9377587566191065 Kept: 1398 out of 4570, ratio=0.306 GT[A_d-A_d]=8.424620708556425 I1T[A_d-A_d]=8.836438764626026e-15 I2T[A_d-A_d]=0.0005068069924634487 Memory used: 74 MB Time elapsed: 2 s ***** [NRG] Iteration 11/67 (scale 0.029233499911307241) ***** [1] xi(10)=0.02922459586863329 xi_scaled(10)=0.999695416467376 zeta(11)=0 Stats: nr=36 min=1 max=626 Emax=9.281686591950544 nrkept=1216 nrkeptmult=2944 Total energy=-3.55834351184546 Egs=-1.419653190499691 Kept: 1216 out of 5253, ratio=0.231 GT[A_d-A_d]=11.74403245890143 I1T[A_d-A_d]=1.19167839798412e-14 I2T[A_d-A_d]=0.0005707005535448751 Memory used: 74 MB Time elapsed: 3 s ***** [NRG] Iteration 12/67 (scale 0.020671206025101686) ***** [1] xi(11)=0.02066805001492248 xi_scaled(11)=0.9998473233649082 zeta(12)=0 Stats: nr=38 min=2 max=491 Safeguard: keep additional 4 states Emax=9.112254008592359 nrkept=1387 nrkeptmult=3353 Total energy=-3.578349045884993 Egs=-0.9677971384562967 Kept: 1387 out of 4570, ratio=0.304 GT[A_d-A_d]=16.21900858944367 I1T[A_d-A_d]=1.514478259537575e-14 I2T[A_d-A_d]=0.000652624987286491 Memory used: 86 MB Time elapsed: 3 s ***** [NRG] Iteration 13/67 (scale 0.014616749955653621) ***** [1] xi(12)=0.01461563274144751 xi_scaled(12)=0.9999235661682999 zeta(13)=0 Stats: nr=36 min=1 max=621 Emax=9.025587643892855 nrkept=1196 nrkeptmult=2902 Total energy=-3.598558703837396 Egs=-1.382636907227475 Kept: 1196 out of 5212, ratio=0.229 GT[A_d-A_d]=22.05257283736632 I1T[A_d-A_d]=1.893324264949219e-14 I2T[A_d-A_d]=0.0007416382619486367 Memory used: 80 MB Time elapsed: 3 s ***** [NRG] Iteration 14/67 (scale 0.010335603012550843) ***** [1] xi(13)=0.01033520777177173 xi_scaled(13)=0.9999617592917773 zeta(14)=0 Stats: nr=38 min=2 max=483 Safeguard: keep additional 3 states Emax=9.001790406684712 nrkept=1167 nrkeptmult=2839 Total energy=-3.608859113735466 Egs=-0.9965949626318202 Kept: 1167 out of 4498, ratio=0.259 GT[A_d-A_d]=29.20992114422299 I1T[A_d-A_d]=1.97662236377889e-14 I2T[A_d-A_d]=0.0008280515476730635 Memory used: 74 MB Time elapsed: 4 s ***** [NRG] Iteration 15/67 (scale 0.0073083749778268103) ***** [1] xi(14)=0.007308235195716326 xi_scaled(14)=0.9999808737084634 zeta(15)=0 Stats: nr=34 min=1 max=532 Safeguard: keep additional 1 states Emax=9.000584766936225 nrkept=1035 nrkeptmult=2528 Total energy=-3.618696927613874 Egs=-1.346101412181912 Kept: 1035 out of 4390, ratio=0.236 GT[A_d-A_d]=37.13818546548812 I1T[A_d-A_d]=1.683773597166514e-14 I2T[A_d-A_d]=0.0008769959644268413 Memory used: 74 MB Time elapsed: 4 s ***** [NRG] Iteration 16/67 (scale 0.0051678015062754214) ***** [1] xi(15)=0.005167752078172315 xi_scaled(15)=0.9999904353712026 zeta(16)=0 Stats: nr=38 min=1 max=422 Safeguard: keep additional 1 states Emax=9.248087307513106 nrkept=1102 nrkeptmult=2692 Total energy=-3.623991827467234 Egs=-1.024594278036936 Kept: 1102 out of 3902, ratio=0.282 GT[A_d-A_d]=44.44860549343696 I1T[A_d-A_d]=7.165171979502637e-15 I2T[A_d-A_d]=0.0008512831504349606 Memory used: 82 MB Time elapsed: 4 s ***** [NRG] Iteration 17/67 (scale 0.0036541874889134051) ***** [1] xi(16)=0.003654170012085749 xi_scaled(16)=0.9999952173150095 zeta(17)=0 Stats: nr=34 min=1 max=504 Emax=9.023896112504255 nrkept=962 nrkeptmult=2354 Total energy=-3.628776223302181 Egs=-1.309291285535531 Kept: 962 out of 4149, ratio=0.232 GT[A_d-A_d]=49.32190726745497 I1T[A_d-A_d]=-7.476325297511768e-15 I2T[A_d-A_d]=0.0007196964066365015 Memory used: 74 MB Time elapsed: 5 s ***** [NRG] Iteration 18/67 (scale 0.0025839007531377107) ***** [1] xi(17)=0.002583894573906697 xi_scaled(17)=0.9999976085648775 zeta(18)=0 Stats: nr=38 min=1 max=388 Emax=9.005446353988603 nrkept=913 nrkeptmult=2251 Total energy=-3.63150160473703 Egs=-1.054754688831984 Kept: 913 out of 3618, ratio=0.252 GT[A_d-A_d]=50.86955236465852 I1T[A_d-A_d]=-1.970572939172894e-14 I2T[A_d-A_d]=0.000508733956568426 Memory used: 80 MB Time elapsed: 5 s ***** [NRG] Iteration 19/67 (scale 0.0018270937444567026) ***** [1] xi(18)=0.001827091559726321 xi_scaled(18)=0.9999988042592846 zeta(19)=0 Stats: nr=34 min=1 max=415 Safeguard: keep additional 2 states Emax=9.019271275199594 nrkept=801 nrkeptmult=1964 Total energy=-3.633820758314575 Egs=-1.269312855227776 Kept: 801 out of 3437, ratio=0.233 GT[A_d-A_d]=50.57988310005617 I1T[A_d-A_d]=-2.23758855614673e-14 I2T[A_d-A_d]=0.0002947605917652127 Memory used: 80 MB Time elapsed: 5 s ***** [NRG] Iteration 20/67 (scale 0.0012919503765688554) ***** [1] xi(19)=0.001291949604142543 xi_scaled(19)=0.9999994021238541 zeta(20)=0 Stats: nr=36 min=1 max=332 Safeguard: keep additional 2 states Emax=9.013506653821658 nrkept=737 nrkeptmult=1863 Total energy=-3.635230222221259 Egs=-1.090958238215728 Kept: 737 out of 3018, ratio=0.244 GT[A_d-A_d]=51.29604962146816 I1T[A_d-A_d]=-1.654641931824775e-14 I2T[A_d-A_d]=0.0001452822401696267 Memory used: 80 MB Time elapsed: 5 s ***** [NRG] Iteration 21/67 (scale 0.00091354687222835128) ***** [1] xi(20)=0.0009135465991330879 xi_scaled(20)=0.9999997010604801 zeta(21)=0 Stats: nr=34 min=1 max=339 Safeguard: keep additional 2 states Emax=9.001722866554703 nrkept=672 nrkeptmult=1686 Total energy=-3.63634744103764 Egs=-1.222946353761191 Kept: 672 out of 2786, ratio=0.241 GT[A_d-A_d]=54.73436091192009 I1T[A_d-A_d]=-9.291639723255085e-15 I2T[A_d-A_d]=6.782275440199079e-05 Memory used: 80 MB Time elapsed: 5 s ***** [NRG] Iteration 22/67 (scale 0.00064597518828442768) ***** [1] xi(21)=0.0006459750917304376 xi_scaled(21)=0.9999998505298782 zeta(22)=0 Stats: nr=36 min=1 max=275 Safeguard: keep additional 2 states Emax=9.000876467360557 nrkept=653 nrkeptmult=1647 Total energy=-3.637081514479144 Egs=-1.136380243107619 Kept: 653 out of 2534, ratio=0.258 GT[A_d-A_d]=61.15783793411222 I1T[A_d-A_d]=-4.295976249109763e-15 I2T[A_d-A_d]=3.334666999443722e-05 Memory used: 80 MB Time elapsed: 5 s ***** [NRG] Iteration 23/67 (scale 0.00045677343611417564) ***** [1] xi(22)=0.0004567734019771438 xi_scaled(22)=0.9999999252648487 zeta(23)=0 Stats: nr=33 min=1 max=302 Safeguard: keep additional 2 states Emax=9.005060851366585 nrkept=618 nrkeptmult=1550 Total energy=-3.637615021892325 Egs=-1.167991330053783 Kept: 618 out of 2468, ratio=0.25 GT[A_d-A_d]=70.06695519686731 I1T[A_d-A_d]=-1.784720654479676e-15 I2T[A_d-A_d]=1.783864521865941e-05 Memory used: 80 MB Time elapsed: 5 s ***** [NRG] Iteration 24/67 (scale 0.00032298759414221384) ***** [1] xi(23)=0.0003229875820729432 xi_scaled(23)=0.9999999626324018 zeta(24)=0 Stats: nr=36 min=1 max=261 Emax=9.047208186084116 nrkept=613 nrkeptmult=1537 Total energy=-3.638000399596401 Egs=-1.19316565423956 Kept: 613 out of 2334, ratio=0.263 GT[A_d-A_d]=81.55944600450871 I1T[A_d-A_d]=-4.652077926330315e-16 I2T[A_d-A_d]=9.99908884808631e-06 Memory used: 80 MB Time elapsed: 5 s ***** [NRG] Iteration 25/67 (scale 0.00022838671805708782) ***** [1] xi(24)=0.000228386713789955 xi_scaled(24)=0.9999999813161953 zeta(25)=0 Stats: nr=33 min=1 max=288 Safeguard: keep additional 2 states Emax=9.031178904825936 nrkept=595 nrkeptmult=1488 Total energy=-3.638252550428766 Egs=-1.104052085470919 Kept: 595 out of 2321, ratio=0.256 GT[A_d-A_d]=95.56928311054538 I1T[A_d-A_d]=2.130530060827921e-16 I2T[A_d-A_d]=5.767982549052028e-06 Memory used: 80 MB Time elapsed: 5 s ***** [NRG] Iteration 26/67 (scale 0.00016149379707110692) ***** [1] xi(25)=0.0001614937955624474 xi_scaled(25)=0.9999999906580962 zeta(26)=0 Stats: nr=36 min=1 max=252 Safeguard: keep additional 1 states Emax=9.001187143822401 nrkept=569 nrkeptmult=1389 Total energy=-3.638456342309108 Egs=-1.261917696146895 Kept: 569 out of 2246, ratio=0.253 GT[A_d-A_d]=112.513153096206 I1T[A_d-A_d]=5.994678947555421e-16 I2T[A_d-A_d]=3.375430267721679e-06 Memory used: 80 MB Time elapsed: 6 s ***** [NRG] Iteration 27/67 (scale 0.00011419335902854391) ***** [1] xi(26)=0.0001141933584951522 xi_scaled(26)=0.9999999953290477 zeta(27)=0 Stats: nr=33 min=1 max=276 Emax=9.001891608858168 nrkept=572 nrkeptmult=1414 Total energy=-3.638574394879619 Egs=-1.033795410833854 Kept: 572 out of 2145, ratio=0.267 GT[A_d-A_d]=132.4376199292769 I1T[A_d-A_d]=7.556650914207551e-16 I2T[A_d-A_d]=1.992353236663951e-06 Memory used: 80 MB Time elapsed: 6 s ***** [NRG] Iteration 28/67 (scale 8.0746898535553459e-05) ***** [1] xi(27)=8.074689834697101e-05 xi_scaled(27)=0.9999999976645239 zeta(28)=0 Stats: nr=36 min=1 max=241 Emax=9.010637371291207 nrkept=538 nrkeptmult=1298 Total energy=-3.6386825833619 Egs=-1.339846907349094 Kept: 538 out of 2156, ratio=0.25 GT[A_d-A_d]=155.2554861304627 I1T[A_d-A_d]=7.493987284420779e-16 I2T[A_d-A_d]=1.1849291411675e-06 Memory used: 80 MB Time elapsed: 6 s ***** [NRG] Iteration 29/67 (scale 5.7096679514271955e-05) ***** [1] xi(28)=5.709667944759799e-05 xi_scaled(28)=0.9999999988322619 zeta(29)=0 Stats: nr=33 min=1 max=261 Safeguard: keep additional 3 states Emax=9.041141349661652 nrkept=555 nrkeptmult=1368 Total energy=-3.638737635213481 Egs=-0.96418657002102 Kept: 555 out of 2021, ratio=0.275 GT[A_d-A_d]=180.6948282335739 I1T[A_d-A_d]=6.197432628569642e-16 I2T[A_d-A_d]=7.025786976493283e-07 Memory used: 80 MB Time elapsed: 6 s ***** [NRG] Iteration 30/67 (scale 4.037344926777673e-05) ***** [1] xi(29)=4.037344924420392e-05 xi_scaled(29)=0.999999999416131 zeta(30)=0 Stats: nr=36 min=1 max=233 Emax=9.019227501576777 nrkept=505 nrkeptmult=1221 Total energy=-3.63879491361618 Egs=-1.418714619085358 Kept: 505 out of 2092, ratio=0.241 GT[A_d-A_d]=207.1708800055337 I1T[A_d-A_d]=4.766655345186465e-16 I2T[A_d-A_d]=4.175798041228947e-07 Memory used: 80 MB Time elapsed: 6 s ***** [NRG] Iteration 31/67 (scale 2.8548339757135978e-05) ***** [1] xi(30)=2.854833974880173e-05 xi_scaled(30)=0.9999999997080655 zeta(31)=0 Stats: nr=33 min=1 max=245 Emax=9.008236152762349 nrkept=525 nrkeptmult=1270 Total energy=-3.638820741437315 Egs=-0.904704839419366 Kept: 525 out of 1897, ratio=0.277 GT[A_d-A_d]=233.9282430230035 I1T[A_d-A_d]=3.591611072864754e-16 I2T[A_d-A_d]=2.437995757464531e-07 Memory used: 80 MB Time elapsed: 6 s ***** [NRG] Iteration 32/67 (scale 2.0186724633888365e-05) ***** [1] xi(31)=2.018672463094176e-05 xi_scaled(31)=0.9999999998540328 zeta(32)=0 Stats: nr=36 min=1 max=224 Safeguard: keep additional 2 states Emax=9.019015447125625 nrkept=464 nrkeptmult=1114 Total energy=-3.638850753919134 Egs=-1.486743509046737 Kept: 464 out of 1974, ratio=0.235 GT[A_d-A_d]=257.5983289301815 I1T[A_d-A_d]=2.693462334221617e-16 I2T[A_d-A_d]=1.414294737439849e-07 Memory used: 80 MB Time elapsed: 6 s ***** [NRG] Iteration 33/67 (scale 1.4274169878567989e-05) ***** [1] xi(32)=1.427416987752621e-05 xi_scaled(32)=0.9999999999270164 zeta(33)=0 Stats: nr=31 min=1 max=226 Safeguard: keep additional 2 states Emax=9.001542352375781 nrkept=488 nrkeptmult=1170 Total energy=-3.638863052379494 Egs=-0.8615884821645022 Kept: 488 out of 1741, ratio=0.28 GT[A_d-A_d]=278.417475084124 I1T[A_d-A_d]=2.007661909953825e-16 I2T[A_d-A_d]=7.933009826018459e-08 Memory used: 80 MB Time elapsed: 6 s ***** [NRG] Iteration 34/67 (scale 1.0093362316944182e-05) ***** [1] xi(33)=1.009336231657586e-05 xi_scaled(33)=0.9999999999635082 zeta(34)=0 Stats: nr=34 min=1 max=208 Emax=9.044268402779656 nrkept=425 nrkeptmult=1001 Total energy=-3.638878555608445 Egs=-1.535982605580706 Kept: 425 out of 1832, ratio=0.232 GT[A_d-A_d]=292.8226788287363 I1T[A_d-A_d]=1.424129993806252e-16 I2T[A_d-A_d]=4.387906983221944e-08 Memory used: 80 MB Time elapsed: 6 s ***** [NRG] Iteration 35/67 (scale 7.1370849392839944e-06) ***** [1] xi(34)=7.137084939153772e-06 xi_scaled(34)=0.9999999999817542 zeta(35)=0 Stats: nr=31 min=1 max=211 Safeguard: keep additional 2 states Emax=9.019473869485344 nrkept=441 nrkeptmult=1048 Total energy=-3.638884511232702 Egs=-0.8344617317076126 Kept: 441 out of 1592, ratio=0.277 GT[A_d-A_d]=304.2063851843511 I1T[A_d-A_d]=1.073404454554258e-16 I2T[A_d-A_d]=2.332104605155373e-08 Memory used: 80 MB Time elapsed: 6 s ***** [NRG] Iteration 36/67 (scale 5.0466811584720912e-06) ***** [1] xi(35)=5.046681158426051e-06 xi_scaled(35)=0.9999999999908771 zeta(36)=0 Stats: nr=32 min=1 max=191 Emax=9.025706526719608 nrkept=392 nrkeptmult=914 Total energy=-3.638892417990292 Egs=-1.56672421754685 Kept: 392 out of 1654, ratio=0.237 GT[A_d-A_d]=309.5811714226399 I1T[A_d-A_d]=7.582207817285234e-17 I2T[A_d-A_d]=1.228890469363164e-08 Memory used: 80 MB Time elapsed: 6 s ***** [NRG] Iteration 37/67 (scale 3.5685424696419972e-06) ***** [1] xi(36)=3.568542469625719e-06 xi_scaled(36)=0.9999999999954385 zeta(37)=0 Stats: nr=31 min=1 max=198 Emax=9.002271668039825 nrkept=378 nrkeptmult=852 Total energy=-3.638895340631094 Egs=-0.819001266568217 Kept: 378 out of 1467, ratio=0.258 GT[A_d-A_d]=314.5308836024705 I1T[A_d-A_d]=5.533993642498793e-17 I2T[A_d-A_d]=6.259325941488148e-09 Memory used: 80 MB Time elapsed: 6 s ***** [NRG] Iteration 38/67 (scale 2.5233405792360456e-06) ***** [1] xi(37)=2.52334057923029e-06 xi_scaled(37)=0.9999999999977193 zeta(38)=0 Stats: nr=28 min=1 max=169 Safeguard: keep additional 1 states Emax=9.009355222744713 nrkept=352 nrkeptmult=814 Total energy=-3.638899337840888 Egs=-1.584094444974514 Kept: 352 out of 1408, ratio=0.25 GT[A_d-A_d]=315.2594042293907 I1T[A_d-A_d]=3.727991185957679e-17 I2T[A_d-A_d]=3.207170417681579e-09 Memory used: 80 MB Time elapsed: 6 s ***** [NRG] Iteration 39/67 (scale 1.7842712348209986e-06) ***** [1] xi(38)=1.784271234818964e-06 xi_scaled(38)=0.9999999999988597 zeta(39)=0 Stats: nr=31 min=1 max=178 Emax=9.208939223183906 nrkept=375 nrkeptmult=844 Total energy=-3.638900784356936 Egs=-0.8107041237450948 Kept: 375 out of 1314, ratio=0.285 GT[A_d-A_d]=317.7447812993227 I1T[A_d-A_d]=2.286851480168805e-17 I2T[A_d-A_d]=1.603416457058935e-09 Memory used: 80 MB Time elapsed: 6 s ***** [NRG] Iteration 40/67 (scale 1.2616702896180228e-06) ***** [1] xi(39)=1.261670289617303e-06 xi_scaled(39)=0.9999999999994299 zeta(40)=0 Stats: nr=28 min=1 max=167 Safeguard: keep additional 1 states Emax=9.06225681757682 nrkept=333 nrkeptmult=759 Total energy=-3.638902794645265 Egs=-1.593354734859888 Kept: 333 out of 1396, ratio=0.239 GT[A_d-A_d]=316.8267878202023 I1T[A_d-A_d]=9.542873361475185e-18 I2T[A_d-A_d]=8.11996931758888e-10 Memory used: 80 MB Time elapsed: 6 s ***** [NRG] Iteration 41/67 (scale 8.921356174104993e-07) ***** [1] xi(40)=8.92135617410245e-07 xi_scaled(40)=0.9999999999997149 zeta(41)=0 Stats: nr=31 min=1 max=170 Emax=9.371995986544359 nrkept=375 nrkeptmult=844 Total energy=-3.6389035140626 Egs=-0.8063990729142216 Kept: 375 out of 1239, ratio=0.303 GT[A_d-A_d]=318.6302114603474 I1T[A_d-A_d]=2.903217420832996e-18 I2T[A_d-A_d]=4.036096289644246e-10 Memory used: 80 MB Time elapsed: 6 s ***** [NRG] Iteration 42/67 (scale 6.308351448090114e-07) ***** [1] xi(41)=6.308351448089215e-07 xi_scaled(41)=0.9999999999998576 zeta(42)=0 Stats: nr=28 min=1 max=167 Safeguard: keep additional 1 states Emax=9.127920807160185 nrkept=329 nrkeptmult=739 Total energy=-3.638904522225058 Egs=-1.59813933315249 Kept: 329 out of 1396, ratio=0.236 GT[A_d-A_d]=317.2242657168828 I1T[A_d-A_d]=-1.182970019166174e-18 I2T[A_d-A_d]=2.036999727304956e-10 Memory used: 80 MB Time elapsed: 6 s ***** [NRG] Iteration 43/67 (scale 4.4606780870524965e-07) ***** [1] xi(42)=4.460678087052179e-07 xi_scaled(42)=0.9999999999999288 zeta(43)=0 Stats: nr=29 min=2 max=170 Emax=9.458116417755532 nrkept=375 nrkeptmult=844 Total energy=-3.638904880955152 Egs=-0.8042052963495032 Kept: 375 out of 1223, ratio=0.307 GT[A_d-A_d]=318.8680681219753 I1T[A_d-A_d]=-1.495628367484426e-18 I2T[A_d-A_d]=1.010843111692416e-10 Memory used: 80 MB Time elapsed: 6 s ***** [NRG] Iteration 44/67 (scale 3.154175724045057e-07) ***** [1] xi(43)=3.154175724044945e-07 xi_scaled(43)=0.9999999999999645 zeta(44)=0 Stats: nr=28 min=1 max=167 Emax=9.192064414400487 nrkept=328 nrkeptmult=738 Total energy=-3.638905385803579 Egs=-1.600571659733119 Kept: 328 out of 1396, ratio=0.235 GT[A_d-A_d]=317.3228702143588 I1T[A_d-A_d]=-1.684360791176669e-18 I2T[A_d-A_d]=5.097678954498132e-11 Memory used: 80 MB Time elapsed: 6 s ***** [NRG] Iteration 45/67 (scale 2.2303390435262483e-07) ***** [1] xi(44)=2.230339043526209e-07 xi_scaled(44)=0.9999999999999822 zeta(45)=0 Stats: nr=29 min=2 max=169 Emax=9.502244752584772 nrkept=375 nrkeptmult=844 Total energy=-3.638905564921618 Egs=-0.8030978055412453 Kept: 375 out of 1219, ratio=0.308 GT[A_d-A_d]=318.9341805002121 I1T[A_d-A_d]=-8.71768025713897e-19 I2T[A_d-A_d]=2.52827667364852e-11 Memory used: 80 MB Time elapsed: 6 s ***** [NRG] Iteration 46/67 (scale 1.5770878620225285e-07) ***** [1] xi(45)=1.577087862022514e-07 xi_scaled(45)=0.9999999999999911 zeta(46)=0 Stats: nr=28 min=1 max=167 Emax=9.203528039993849 nrkept=328 nrkeptmult=738 Total energy=-3.638905817539238 Egs=-1.601798011341287 Kept: 328 out of 1396, ratio=0.235 GT[A_d-A_d]=317.3457535779817 I1T[A_d-A_d]=-5.513225991090699e-19 I2T[A_d-A_d]=1.274925900789525e-11 Memory used: 80 MB Time elapsed: 6 s ***** [NRG] Iteration 47/67 (scale 1.1151695217631241e-07) ***** [1] xi(46)=1.115169521763119e-07 xi_scaled(46)=0.9999999999999956 zeta(47)=0 Stats: nr=29 min=2 max=169 Emax=9.524282003296943 nrkept=375 nrkeptmult=844 Total energy=-3.638905907036206 Egs=-0.8025413720353997 Kept: 375 out of 1219, ratio=0.308 GT[A_d-A_d]=318.9538386279625 I1T[A_d-A_d]=-2.323217917452785e-19 I2T[A_d-A_d]=6.321442731915046e-12 Memory used: 80 MB Time elapsed: 6 s ***** [NRG] Iteration 48/67 (scale 7.8854393101126425e-08) ***** [1] xi(47)=7.885439310112625e-08 xi_scaled(47)=0.9999999999999978 zeta(48)=0 Stats: nr=28 min=1 max=167 Emax=9.209283785668864 nrkept=328 nrkeptmult=738 Total energy=-3.63890603339357 Egs=-1.602413757143018 Kept: 328 out of 1396, ratio=0.235 GT[A_d-A_d]=317.3502706248111 I1T[A_d-A_d]=-7.554681893477429e-20 I2T[A_d-A_d]=3.187786139012489e-12 Memory used: 80 MB Time elapsed: 6 s ***** [NRG] Iteration 49/67 (scale 5.5758476088156206e-08) ***** [1] xi(48)=5.575847608815615e-08 xi_scaled(48)=0.9999999999999989 zeta(49)=0 Stats: nr=29 min=2 max=169 Emax=9.534132274909565 nrkept=375 nrkeptmult=844 Total energy=-3.638906078126503 Egs=-0.8022624785252884 Kept: 375 out of 1219, ratio=0.308 GT[A_d-A_d]=318.9599856009269 I1T[A_d-A_d]=7.276139161957854e-21 I2T[A_d-A_d]=1.580396334805608e-12 Memory used: 80 MB Time elapsed: 6 s ***** [NRG] Iteration 50/67 (scale 3.9427196550563213e-08) ***** [1] xi(49)=3.942719655056319e-08 xi_scaled(49)=0.9999999999999994 zeta(50)=0 Stats: nr=28 min=1 max=167 Emax=9.212168115500248 nrkept=328 nrkeptmult=738 Total energy=-3.63890614131735 Egs=-1.602722275487079 Kept: 328 out of 1396, ratio=0.235 GT[A_d-A_d]=317.3504644825198 I1T[A_d-A_d]=-7.263746962406044e-20 I2T[A_d-A_d]=7.96994922647408e-13 Memory used: 80 MB Time elapsed: 7 s ***** [NRG] Iteration 51/67 (scale 2.7879238044078103e-08) ***** [1] xi(50)=2.78792380440781e-08 xi_scaled(50)=0.9999999999999998 zeta(51)=0 Stats: nr=29 min=2 max=169 Safeguard: keep additional 1 states Emax=9.53789303429526 nrkept=376 nrkeptmult=850 Total energy=-3.638906163679924 Egs=-0.8021228619949702 Kept: 376 out of 1219, ratio=0.308 GT[A_d-A_d]=318.9631064659984 I1T[A_d-A_d]=-9.012499835162057e-20 I2T[A_d-A_d]=3.951070360773466e-13 Memory used: 80 MB Time elapsed: 7 s ***** [NRG] Iteration 52/67 (scale 1.9713598275281606e-08) ***** [1] xi(51)=1.97135982752816e-08 xi_scaled(51)=0.9999999999999998 zeta(52)=0 Stats: nr=28 min=1 max=167 Emax=9.21361242571013 nrkept=328 nrkeptmult=738 Total energy=-3.638906195278391 Egs=-1.602876696381301 Kept: 328 out of 1400, ratio=0.234 GT[A_d-A_d]=317.3497638442681 I1T[A_d-A_d]=-9.7044428799112e-20 I2T[A_d-A_d]=1.992538740059183e-13 Memory used: 80 MB Time elapsed: 7 s ***** [NRG] Iteration 53/67 (scale 1.3939619022039052e-08) ***** [1] xi(52)=1.393961902203905e-08 xi_scaled(52)=1 zeta(53)=0 Stats: nr=29 min=2 max=169 Safeguard: keep additional 1 states Emax=9.53965835792093 nrkept=376 nrkeptmult=850 Total energy=-3.638906206458705 Egs=-0.8020530112252022 Kept: 376 out of 1219, ratio=0.308 GT[A_d-A_d]=318.9634612903709 I1T[A_d-A_d]=-4.355639068845875e-20 I2T[A_d-A_d]=9.877701557073041e-14 Memory used: 80 MB Time elapsed: 7 s ***** [NRG] Iteration 54/67 (scale 9.8567991376408032e-09) ***** [1] xi(53)=9.856799137640803e-09 xi_scaled(53)=1 zeta(54)=0 Stats: nr=28 min=1 max=167 Emax=9.214334562010283 nrkept=328 nrkeptmult=738 Total energy=-3.6389062222587 Egs=-1.602953947298104 Kept: 328 out of 1400, ratio=0.234 GT[A_d-A_d]=317.348954791554 I1T[A_d-A_d]=-1.987425498750532e-20 I2T[A_d-A_d]=4.981402355993217e-14 Memory used: 80 MB Time elapsed: 7 s ***** [NRG] Iteration 55/67 (scale 6.9698095110195258e-09) ***** [1] xi(54)=6.969809511019526e-09 xi_scaled(54)=1 zeta(55)=0 Stats: nr=29 min=2 max=169 Safeguard: keep additional 2 states Emax=9.540541678336439 nrkept=377 nrkeptmult=854 Total energy=-3.638906227848613 Egs=-0.8020180752134646 Kept: 377 out of 1219, ratio=0.309 GT[A_d-A_d]=318.9641689930372 I1T[A_d-A_d]=3.962863987202434e-21 I2T[A_d-A_d]=2.469448692676594e-14 Memory used: 80 MB Time elapsed: 7 s ***** [NRG] Iteration 56/67 (scale 4.9283995688204016e-09) ***** [1] xi(55)=4.928399568820402e-09 xi_scaled(55)=1 zeta(56)=0 Stats: nr=28 min=1 max=167 Emax=9.214695374680215 nrkept=328 nrkeptmult=738 Total energy=-3.638906235748801 Egs=-1.602992582875385 Kept: 328 out of 1404, ratio=0.234 GT[A_d-A_d]=317.3481842299944 I1T[A_d-A_d]=5.619212384483177e-21 I2T[A_d-A_d]=1.245356184578725e-14 Memory used: 80 MB Time elapsed: 7 s ***** [NRG] Iteration 57/67 (scale 3.4849047555097629e-09) ***** [1] xi(56)=3.484904755509763e-09 xi_scaled(56)=1 zeta(57)=0 Stats: nr=29 min=2 max=169 Emax=9.540951423116557 nrkept=375 nrkeptmult=844 Total energy=-3.638906238543697 Egs=-0.8020006045539632 Kept: 375 out of 1219, ratio=0.308 GT[A_d-A_d]=318.961476086077 I1T[A_d-A_d]=5.439084112576952e-21 I2T[A_d-A_d]=6.173464944301426e-15 Memory used: 80 MB Time elapsed: 7 s ***** [NRG] Iteration 58/67 (scale 2.4641997844102008e-09) ***** [1] xi(57)=2.464199784410201e-09 xi_scaled(57)=1 zeta(58)=0 Stats: nr=28 min=1 max=167 Emax=9.214875993992059 nrkept=328 nrkeptmult=738 Total energy=-3.638906242493839 Egs=-1.603011903192622 Kept: 328 out of 1396, ratio=0.235 GT[A_d-A_d]=317.3474054173074 I1T[A_d-A_d]=-1.572625440828159e-21 I2T[A_d-A_d]=3.113392574866652e-15 Memory used: 80 MB Time elapsed: 7 s ***** [NRG] Iteration 59/67 (scale 1.7424523777548814e-09) ***** [1] xi(58)=1.742452377754881e-09 xi_scaled(58)=1 zeta(59)=0 Stats: nr=29 min=2 max=169 Emax=9.541160102951299 nrkept=375 nrkeptmult=844 Total energy=-3.638906243891272 Egs=-0.801991868562922 Kept: 375 out of 1219, ratio=0.308 GT[A_d-A_d]=318.9608625870651 I1T[A_d-A_d]=-2.405645593076642e-21 I2T[A_d-A_d]=1.543363377934042e-15 Memory used: 80 MB Time elapsed: 7 s ***** [NRG] Iteration 60/67 (scale 1.2320998922051004e-09) ***** [1] xi(59)=1.2320998922051e-09 xi_scaled(59)=1 zeta(60)=0 Stats: nr=28 min=1 max=167 Emax=9.214966309067925 nrkept=328 nrkeptmult=738 Total energy=-3.638906245866354 Egs=-1.603021563982373 Kept: 328 out of 1396, ratio=0.235 GT[A_d-A_d]=317.3466607791082 I1T[A_d-A_d]=-3.972072026072055e-21 I2T[A_d-A_d]=7.783476060667067e-16 Memory used: 80 MB Time elapsed: 7 s ***** [NRG] Iteration 61/67 (scale 8.7122618887744072e-10) ***** [1] xi(60)=8.712261888774407e-10 xi_scaled(60)=1 zeta(61)=0 Stats: nr=29 min=2 max=169 Emax=9.541263918061427 nrkept=375 nrkeptmult=844 Total energy=-3.638906246565067 Egs=-0.8019875004031604 Kept: 375 out of 1219, ratio=0.308 GT[A_d-A_d]=318.9601923269358 I1T[A_d-A_d]=-1.098511605444976e-21 I2T[A_d-A_d]=3.858400470052696e-16 Memory used: 80 MB Time elapsed: 7 s ***** [NRG] Iteration 62/67 (scale 6.160499461025502e-10) ***** [1] xi(61)=6.160499461025502e-10 xi_scaled(61)=1 zeta(62)=0 Stats: nr=28 min=1 max=167 Emax=9.21501146791605 nrkept=328 nrkeptmult=738 Total energy=-3.638906247552611 Egs=-1.603026394534538 Kept: 328 out of 1396, ratio=0.235 GT[A_d-A_d]=317.3459271616952 I1T[A_d-A_d]=1.43881766763777e-22 I2T[A_d-A_d]=1.94586612477679e-16 Memory used: 80 MB Time elapsed: 7 s ***** [NRG] Iteration 63/67 (scale 4.3561309443872036e-10) ***** [1] xi(62)=4.356130944387204e-10 xi_scaled(62)=1 zeta(63)=0 Stats: nr=29 min=2 max=169 Emax=9.541315775396848 nrkept=375 nrkeptmult=844 Total energy=-3.638906247901966 Egs=-0.8019853162827764 Kept: 375 out of 1219, ratio=0.308 GT[A_d-A_d]=318.959494265539 I1T[A_d-A_d]=1.815204637291788e-21 I2T[A_d-A_d]=9.6459802242609e-17 Memory used: 80 MB Time elapsed: 7 s ***** [NRG] Iteration 64/67 (scale 3.080249730512751e-10) ***** [1] xi(63)=3.080249730512751e-10 xi_scaled(63)=1 zeta(64)=0 Stats: nr=28 min=1 max=167 Safeguard: keep additional 3 states Emax=9.215039521984325 nrkept=331 nrkeptmult=741 Total energy=-3.63890624839574 Egs=-1.6030288098497 Kept: 331 out of 1396, ratio=0.237 GT[A_d-A_d]=317.3468488551671 I1T[A_d-A_d]=1.630980852001145e-21 I2T[A_d-A_d]=4.864708814184098e-17 Memory used: 80 MB Time elapsed: 7 s ***** [NRG] Iteration 65/67 (scale 2.1780654721936018e-10) ***** [1] xi(64)=2.178065472193602e-10 xi_scaled(64)=1 zeta(65)=0 Stats: nr=29 min=2 max=170 Safeguard: keep additional 9 states Emax=9.54136065216661 nrkept=384 nrkeptmult=860 Total energy=-3.638906248570417 Egs=-0.8019842242127286 Kept: 384 out of 1228, ratio=0.313 GT[A_d-A_d]=318.9622473535006 I1T[A_d-A_d]=1.376501038760871e-21 I2T[A_d-A_d]=2.411583750296068e-17 Memory used: 80 MB Time elapsed: 7 s ***** [NRG] Iteration 66/67 (scale 1.5401248652563755e-10) ***** [1] xi(65)=1.540124865256375e-10 xi_scaled(65)=1 zeta(66)=0 Stats: nr=28 min=1 max=171 Safeguard: keep additional 3 states Emax=9.215047583531058 nrkept=331 nrkeptmult=741 Total energy=-3.638906248817304 Egs=-1.6030300175178 Kept: 331 out of 1428, ratio=0.232 GT[A_d-A_d]=317.3461666498727 I1T[A_d-A_d]=6.829814838916367e-22 I2T[A_d-A_d]=1.216175553852717e-17 Memory used: 80 MB Time elapsed: 7 s ***** [NRG] Iteration 67/67 (scale 1.0890327360968009e-10) ***** [1] xi(66)=1.089032736096801e-10 xi_scaled(66)=1 zeta(67)=0 Stats: nr=29 min=2 max=170 Safeguard: keep additional 9 states Emax=9.54136380130155 nrkept=384 nrkeptmult=860 Total energy=-3.638906248904642 Egs=-0.8019836781752785 Kept: 384 out of 1228, ratio=0.313 GT[A_d-A_d]=318.9615286154723 I1T[A_d-A_d]=4.631553078539894e-22 I2T[A_d-A_d]=6.028945901012595e-18 Memory used: 80 MB Time elapsed: 7 s ** Iteration completed. Spectrum: A_d-A_d GT Spectrum: A_d-A_d I1T Spectrum: A_d-A_d I2T Total energy: -3.638906248904642 TKW=2.151183227416783e-05 Memory usage report =================== after diag: 91816 kB after recalc: 94576 kB after split: 94576 kB after trim: 88744 kB after trunc: 91816 kB diag_h: 91816 kB Peak usage: 94576 kB Timing report ============= All: 7 s diag: 6 s recalc d: 0 s recalc f: 0 s spec gt: 0 s spec i1t: 0 s spec i2t: 0 s Other: 0 s