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.MFgjeDz8xg substeps=0 Ninit=0 Lambda=2 strategy=kept lastall=0 lastalloverride=0 z=0.25 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 0.03090614710930705 (-1 2) 2 states 0.01467051497724091 0.0442274543444928 (0 1) 3 states 0 0.03090614710930705 0.05889796932173373 (0 3) 1 states 0.02799182221242666 (1 2) 2 states 0.01467051497724091 0.0442274543444928 (2 1) 1 states 0.03090614710930705 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]=0.2081421935672745 I1T[A_d-A_d]=-1.626303258728257e-19 I2T[A_d-A_d]=0.0001377092685811613 ***** [NRG] Iteration 1/67 (scale 1.2131570881878404) ***** [1] xi(0)=0.5739838990129388 xi_scaled(0)=0.4731323788169347 zeta(1)=0 Stats: nr=10 min=1 max=8 Emax=1.89846285841008 nrkept=35 nrkeptmult=64 Total energy=-1.149066836670769 Egs=-0.907584275699525 Kept: 35 out of 35, ratio=1 GT[A_d-A_d]=0.2943284043059283 I1T[A_d-A_d]=-1.284779574395323e-17 I2T[A_d-A_d]=0.000174857159236281 Memory used: 46 MB Time elapsed: 0 s ***** [NRG] Iteration 2/67 (scale 0.85783160370214839) ***** [1] xi(1)=0.5417369026256507 xi_scaled(1)=0.6315189371523197 zeta(2)=0 Stats: nr=15 min=1 max=20 Emax=3.762207918942991 nrkept=126 nrkeptmult=256 Total energy=-1.611170426283894 Egs=-0.5386879984589317 Kept: 126 out of 126, ratio=1 GT[A_d-A_d]=0.4161636039303098 I1T[A_d-A_d]=-3.12385750947386e-17 I2T[A_d-A_d]=0.0002287566652842538 Memory used: 46 MB Time elapsed: 0 s ***** [NRG] Iteration 3/67 (scale 0.6065785440939202) ***** [1] xi(2)=0.5912860462544053 xi_scaled(2)=0.9747889238938411 zeta(3)=0 Stats: nr=21 min=1 max=75 Emax=8.486945220663033 nrkept=462 nrkeptmult=1024 Total energy=-2.571499437877319 Egs=-1.5831898786132 Kept: 462 out of 462, ratio=1 GT[A_d-A_d]=0.5883514686270401 I1T[A_d-A_d]=-1.040690089985051e-16 I2T[A_d-A_d]=0.0002786961401398917 Memory used: 63 MB Time elapsed: 0 s ***** [NRG] Iteration 4/67 (scale 0.4289158018510742) ***** [1] xi(3)=0.5158729607424856 xi_scaled(3)=1.202737130495379 zeta(4)=0 Stats: nr=28 min=1 max=210 Emax=9.040750269019355 nrkept=1259 nrkeptmult=3041 Total energy=-3.057315392589478 Egs=-1.132660425695486 Kept: 1259 out of 1716, ratio=0.734 GT[A_d-A_d]=0.8316108885463976 I1T[A_d-A_d]=3.677105450040805e-16 I2T[A_d-A_d]=0.0003198584728792364 Memory used: 67 MB Time elapsed: 0 s ***** [NRG] Iteration 5/67 (scale 0.3032892720469601) ***** [1] xi(4)=0.3404542429566779 xi_scaled(4)=1.122539681865052 zeta(5)=0 Stats: nr=36 min=1 max=561 Emax=9.069938781473189 nrkept=1530 nrkeptmult=3774 Total energy=-3.550072746439443 Egs=-1.624710793508281 Kept: 1530 out of 4728, ratio=0.324 GT[A_d-A_d]=1.175128140259193 I1T[A_d-A_d]=1.820025651947267e-15 I2T[A_d-A_d]=0.0003421621791151125 Memory used: 83 MB Time elapsed: 0 s ***** [NRG] Iteration 6/67 (scale 0.2144579009255371) ***** [1] xi(5)=0.2214135831146372 xi_scaled(5)=1.032433788445571 zeta(6)=0 Stats: nr=42 min=1 max=597 Emax=9.164839165725555 nrkept=1865 nrkeptmult=4643 Total energy=-3.743656389459452 Egs=-0.9026650087712282 Kept: 1865 out of 5766, ratio=0.323 GT[A_d-A_d]=1.659893503765712 I1T[A_d-A_d]=3.856339340561128e-15 I2T[A_d-A_d]=0.0003585867841369961 Memory used: 80 MB Time elapsed: 1 s ***** [NRG] Iteration 7/67 (scale 0.15164463602348005) ***** [1] xi(6)=0.152902811956196 xi_scaled(6)=1.008296870668878 zeta(7)=0 Stats: nr=44 min=1 max=801 Safeguard: keep additional 1 states Emax=9.095450076609191 nrkept=1313 nrkeptmult=3166 Total energy=-3.972034673954028 Egs=-1.506009645202447 Kept: 1313 out of 7033, ratio=0.187 GT[A_d-A_d]=2.343311103560235 I1T[A_d-A_d]=5.853835460521389e-15 I2T[A_d-A_d]=0.0003729965114125841 Memory used: 107 MB Time elapsed: 2 s ***** [NRG] Iteration 8/67 (scale 0.10722895046276855) ***** [1] xi(7)=0.1075508678417629 xi_scaled(7)=1.003002149863493 zeta(8)=0 Stats: nr=38 min=2 max=533 Safeguard: keep additional 1 states Emax=9.158374645128811 nrkept=1394 nrkeptmult=3364 Total energy=-4.068903189172154 Egs=-0.9033802419968716 Kept: 1394 out of 4932, ratio=0.283 GT[A_d-A_d]=3.305142080806021 I1T[A_d-A_d]=8.349051675658214e-15 I2T[A_d-A_d]=0.000396511511739811 Memory used: 107 MB Time elapsed: 2 s ***** [NRG] Iteration 9/67 (scale 0.075822318011740025) ***** [1] xi(8)=0.07592236585864423 xi_scaled(8)=1.001319503934036 zeta(9)=0 Stats: nr=36 min=1 max=626 Emax=9.241610612849062 nrkept=1216 nrkeptmult=2944 Total energy=-4.180363479637262 Egs=-1.470019558724786 Kept: 1216 out of 5237, ratio=0.232 GT[A_d-A_d]=4.655336028098598 I1T[A_d-A_d]=1.21191088107212e-14 I2T[A_d-A_d]=0.0004251024240299241 Memory used: 83 MB Time elapsed: 3 s ***** [NRG] Iteration 10/67 (scale 0.053614475231384275) ***** [1] xi(9)=0.05364782713658343 xi_scaled(9)=1.000622069041154 zeta(10)=0 Stats: nr=38 min=2 max=491 Safeguard: keep additional 5 states Emax=9.567124448670121 nrkept=1398 nrkeptmult=3376 Total energy=-4.230131027071858 Egs=-0.9282483362900329 Kept: 1398 out of 4570, ratio=0.306 GT[A_d-A_d]=6.542133356407159 I1T[A_d-A_d]=1.658969285178571e-14 I2T[A_d-A_d]=0.0004675293738687838 Memory used: 87 MB Time elapsed: 3 s ***** [NRG] Iteration 11/67 (scale 0.037911159005870013) ***** [1] xi(10)=0.03792261705256315 xi_scaled(10)=1.000302234144078 zeta(11)=0 Stats: nr=36 min=1 max=626 Emax=9.267272934956214 nrkept=1216 nrkeptmult=2944 Total energy=-4.284494724375983 Egs=-1.433976136042353 Kept: 1216 out of 5253, ratio=0.231 GT[A_d-A_d]=9.159757737863377 I1T[A_d-A_d]=2.265533099518935e-14 I2T[A_d-A_d]=0.0005201084527919509 Memory used: 81 MB Time elapsed: 4 s ***** [NRG] Iteration 12/67 (scale 0.026807237615692137) ***** [1] xi(11)=0.02681123139335603 xi_scaled(11)=1.000148981320685 zeta(12)=0 Stats: nr=38 min=2 max=491 Safeguard: keep additional 1 states Emax=9.028579598118281 nrkept=1384 nrkeptmult=3344 Total energy=-4.310151614215458 Egs=-0.957088164296989 Kept: 1384 out of 4570, ratio=0.303 GT[A_d-A_d]=12.74405444600859 I1T[A_d-A_d]=3.100006837139645e-14 I2T[A_d-A_d]=0.0005909203356012653 Memory used: 87 MB Time elapsed: 4 s ***** [NRG] Iteration 13/67 (scale 0.018955579502935006) ***** [1] xi(12)=0.01895698153749041 xi_scaled(12)=1.000073964214873 zeta(13)=0 Stats: nr=36 min=1 max=620 Emax=9.312649245978159 nrkept=1216 nrkeptmult=2944 Total energy=-4.336626445232225 Egs=-1.396677480246268 Kept: 1216 out of 5201, ratio=0.234 GT[A_d-A_d]=17.54546210368979 I1T[A_d-A_d]=3.963015930230716e-14 I2T[A_d-A_d]=0.0006731441370293159 Memory used: 81 MB Time elapsed: 5 s ***** [NRG] Iteration 14/67 (scale 0.013403618807846069) ***** [1] xi(13)=0.01340411275001429 xi_scaled(13)=1.000036851403737 zeta(14)=0 Stats: nr=38 min=2 max=491 Emax=9.059417133564185 nrkept=1293 nrkeptmult=3143 Total energy=-4.34984356898545 Egs=-0.9860862161707894 Kept: 1293 out of 4570, ratio=0.283 GT[A_d-A_d]=23.72604167208809 I1T[A_d-A_d]=4.728566703474206e-14 I2T[A_d-A_d]=0.0007655570943063575 Memory used: 87 MB Time elapsed: 5 s ***** [NRG] Iteration 15/67 (scale 0.0094777897514675032) ***** [1] xi(14)=0.009477964077759639 xi_scaled(14)=1.000018393137715 zeta(15)=0 Stats: nr=36 min=1 max=578 Safeguard: keep additional 2 states Emax=9.000398563905511 nrkept=1104 nrkeptmult=2686 Total energy=-4.36273120931513 Egs=-1.359772760066162 Kept: 1104 out of 4863, ratio=0.227 GT[A_d-A_d]=31.16151873433298 I1T[A_d-A_d]=5.004059370597626e-14 I2T[A_d-A_d]=0.0008441873679554782 Memory used: 89 MB Time elapsed: 6 s ***** [NRG] Iteration 16/67 (scale 0.0067018094039230343) ***** [1] xi(15)=0.006701870983107951 xi_scaled(15)=1.000009188441689 zeta(16)=0 Stats: nr=38 min=1 max=453 Safeguard: keep additional 1 states Emax=9.088131083674975 nrkept=1102 nrkeptmult=2692 Total energy=-4.369527349121801 Egs=-1.014075363392526 Kept: 1102 out of 4160, ratio=0.265 GT[A_d-A_d]=39.08908206129671 I1T[A_d-A_d]=4.085675787762148e-14 I2T[A_d-A_d]=0.0008799662590060196 Memory used: 89 MB Time elapsed: 6 s ***** [NRG] Iteration 17/67 (scale 0.0047388948757337516) ***** [1] xi(16)=0.004738916637643105 xi_scaled(16)=1.00000459219078 zeta(17)=0 Stats: nr=34 min=1 max=504 Safeguard: keep additional 2 states Emax=9.004307874978718 nrkept=983 nrkeptmult=2404 Total energy=-4.375798288897271 Egs=-1.323291598550135 Kept: 983 out of 4149, ratio=0.237 GT[A_d-A_d]=45.96519370463382 I1T[A_d-A_d]=1.470691405504733e-14 I2T[A_d-A_d]=0.000827704589006958 Memory used: 89 MB Time elapsed: 6 s ***** [NRG] Iteration 18/67 (scale 0.0033509047019615172) ***** [1] xi(17)=0.003350912394258439 xi_scaled(17)=1.000002295588089 zeta(18)=0 Stats: nr=38 min=1 max=401 Safeguard: keep additional 3 states Emax=9.000796255287305 nrkept=1008 nrkeptmult=2474 Total energy=-4.379293114931651 Egs=-1.042949992679379 Kept: 1008 out of 3702, ratio=0.272 GT[A_d-A_d]=50.00327234587169 I1T[A_d-A_d]=-2.292408952009502e-14 I2T[A_d-A_d]=0.0006723318052075058 Memory used: 89 MB Time elapsed: 7 s ***** [NRG] Iteration 19/67 (scale 0.0023694474378668758) ***** [1] xi(18)=0.002369450157204092 xi_scaled(18)=1.000001147667246 zeta(19)=0 Stats: nr=34 min=1 max=456 Safeguard: keep additional 1 states Emax=9.000629228332913 nrkept=851 nrkeptmult=2084 Total energy=-4.382337598485486 Egs=-1.284891787502475 Kept: 851 out of 3792, ratio=0.224 GT[A_d-A_d]=50.86588166752057 I1T[A_d-A_d]=-5.144445753654694e-14 I2T[A_d-A_d]=0.0004519253804678427 Memory used: 89 MB Time elapsed: 7 s ***** [NRG] Iteration 20/67 (scale 0.0016754523509807586) ***** [1] xi(19)=0.001675453312358546 xi_scaled(19)=1.000000573801927 zeta(20)=0 Stats: nr=38 min=1 max=350 Safeguard: keep additional 5 states Emax=9.000591674700841 nrkept=801 nrkeptmult=1977 Total energy=-4.384141149510878 Egs=-1.076456172767996 Kept: 801 out of 3204, ratio=0.25 GT[A_d-A_d]=50.57140613525154 I1T[A_d-A_d]=-5.463879919866067e-14 I2T[A_d-A_d]=0.000249952117978213 Memory used: 89 MB Time elapsed: 7 s ***** [NRG] Iteration 21/67 (scale 0.0011847237189334379) ***** [1] xi(20)=0.001184724058822427 xi_scaled(20)=1.00000028689304 zeta(21)=0 Stats: nr=34 min=1 max=371 Safeguard: keep additional 2 states Emax=9.014674141990056 nrkept=711 nrkeptmult=1766 Total energy=-4.385611685454436 Egs=-1.241247997366174 Kept: 711 out of 3017, ratio=0.236 GT[A_d-A_d]=51.85684136163078 I1T[A_d-A_d]=-3.890863334442989e-14 I2T[A_d-A_d]=0.0001201732809761588 Memory used: 89 MB Time elapsed: 7 s ***** [NRG] Iteration 22/67 (scale 0.00083772617549037929) ***** [1] xi(21)=0.0008377262956576245 xi_scaled(21)=1.000000143444539 zeta(22)=0 Stats: nr=36 min=1 max=292 Safeguard: keep additional 1 states Emax=9.019416878653708 nrkept=706 nrkeptmult=1780 Total energy=-4.386548358817177 Egs=-1.118113997324864 Kept: 706 out of 2682, ratio=0.263 GT[A_d-A_d]=56.11683817793757 I1T[A_d-A_d]=-2.122687197480836e-14 I2T[A_d-A_d]=5.639281003394257e-05 Memory used: 89 MB Time elapsed: 7 s ***** [NRG] Iteration 23/67 (scale 0.00059236185946671895) ***** [1] xi(22)=0.0005923619019519626 xi_scaled(22)=1.000000071721774 zeta(23)=0 Stats: nr=33 min=1 max=325 Safeguard: keep additional 3 states Emax=9.019405739108544 nrkept=636 nrkeptmult=1588 Total energy=-4.387253076509364 Egs=-1.189674319716244 Kept: 636 out of 2670, ratio=0.238 GT[A_d-A_d]=63.1204194505215 I1T[A_d-A_d]=-1.033380068595304e-14 I2T[A_d-A_d]=2.83896576938203e-05 Memory used: 89 MB Time elapsed: 7 s ***** [NRG] Iteration 24/67 (scale 0.00041886308774518965) ***** [1] xi(23)=0.0004188631027659398 xi_scaled(23)=1.000000035860763 zeta(24)=0 Stats: nr=36 min=1 max=265 Safeguard: keep additional 1 states Emax=9.020482537124442 nrkept=619 nrkeptmult=1565 Total energy=-4.38774333917414 Egs=-1.170460418020036 Kept: 619 out of 2396, ratio=0.258 GT[A_d-A_d]=72.74870829982758 I1T[A_d-A_d]=-4.451024359555241e-15 I2T[A_d-A_d]=1.535690144134226e-05 Memory used: 89 MB Time elapsed: 7 s ***** [NRG] Iteration 25/67 (scale 0.00029618092973335947) ***** [1] xi(24)=0.0002961809350439874 xi_scaled(24)=1.000000017930351 zeta(25)=0 Stats: nr=33 min=1 max=288 Safeguard: keep additional 2 states Emax=9.005989026336376 nrkept=603 nrkeptmult=1520 Total energy=-4.388077724701431 Egs=-1.128990740871753 Kept: 603 out of 2345, ratio=0.257 GT[A_d-A_d]=84.76816545458394 I1T[A_d-A_d]=-1.590777320491872e-15 I2T[A_d-A_d]=8.704316181567258e-06 Memory used: 89 MB Time elapsed: 7 s ***** [NRG] Iteration 26/67 (scale 0.00020943154387259482) ***** [1] xi(25)=0.0002094315457501837 xi_scaled(25)=1.000000008965168 zeta(26)=0 Stats: nr=36 min=1 max=254 Safeguard: keep additional 1 states Emax=9.012007967169101 nrkept=587 nrkeptmult=1441 Total energy=-4.388336334064022 Egs=-1.234815719779212 Kept: 587 out of 2278, ratio=0.258 GT[A_d-A_d]=99.56661205807688 I1T[A_d-A_d]=4.782206406876911e-17 I2T[A_d-A_d]=5.037982942882623e-06 Memory used: 89 MB Time elapsed: 7 s ***** [NRG] Iteration 27/67 (scale 0.00014809046486667974) ***** [1] xi(26)=0.0001480904655305074 xi_scaled(26)=1.000000004482582 zeta(27)=0 Stats: nr=33 min=1 max=282 Safeguard: keep additional 2 states Emax=9.01187789114314 nrkept=585 nrkeptmult=1458 Total energy=-4.388493387979241 Egs=-1.060526856743598 Kept: 585 out of 2217, ratio=0.264 GT[A_d-A_d]=117.1974706540184 I1T[A_d-A_d]=8.045922820227848e-16 I2T[A_d-A_d]=2.956147742867455e-06 Memory used: 89 MB Time elapsed: 7 s ***** [NRG] Iteration 28/67 (scale 0.00010471577193629741) ***** [1] xi(27)=0.0001047157721709959 xi_scaled(27)=1.00000000224129 zeta(28)=0 Stats: nr=36 min=1 max=246 Safeguard: keep additional 2 states Emax=9.036970531967935 nrkept=554 nrkeptmult=1338 Total energy=-4.388630560784191 Egs=-1.30995362410866 Kept: 554 out of 2206, ratio=0.251 GT[A_d-A_d]=137.8683560941059 I1T[A_d-A_d]=1.184724111903374e-15 I2T[A_d-A_d]=1.750838857914985e-06 Memory used: 89 MB Time elapsed: 8 s ***** [NRG] Iteration 29/67 (scale 7.4045232433339868e-05) ***** [1] xi(28)=7.404523251631829e-05 xi_scaled(28)=1.000000001120645 zeta(29)=0 Stats: nr=33 min=1 max=271 Emax=9.002415182294653 nrkept=558 nrkeptmult=1378 Total energy=-4.388703836065594 Egs=-0.989601612360673 Kept: 558 out of 2085, ratio=0.268 GT[A_d-A_d]=161.4795294744596 I1T[A_d-A_d]=1.213207209411355e-15 I2T[A_d-A_d]=1.038182995148344e-06 Memory used: 89 MB Time elapsed: 8 s ***** [NRG] Iteration 30/67 (scale 5.2357885968148706e-05) ***** [1] xi(29)=5.235788599748601e-05 xi_scaled(29)=1.000000000560322 zeta(30)=0 Stats: nr=36 min=1 max=235 Safeguard: keep additional 2 states Emax=9.019060994517163 nrkept=513 nrkeptmult=1237 Total energy=-4.388776602036749 Egs=-1.389780542315219 Kept: 513 out of 2104, ratio=0.244 GT[A_d-A_d]=187.12103119093 I1T[A_d-A_d]=1.091933273805666e-15 I2T[A_d-A_d]=6.185970338944301e-07 Memory used: 89 MB Time elapsed: 8 s ***** [NRG] Iteration 31/67 (scale 3.7022616216669934e-05) ***** [1] xi(30)=3.702261622704224e-05 xi_scaled(30)=1.000000000280161 zeta(31)=0 Stats: nr=33 min=1 max=250 Safeguard: keep additional 1 states Emax=9.003077512912986 nrkept=537 nrkeptmult=1310 Total energy=-4.388810858321583 Egs=-0.9252799595081499 Kept: 537 out of 1926, ratio=0.279 GT[A_d-A_d]=214.1715736469845 I1T[A_d-A_d]=8.808739913748084e-16 I2T[A_d-A_d]=3.643170091118545e-07 Memory used: 89 MB Time elapsed: 8 s ***** [NRG] Iteration 32/67 (scale 2.6178942984074353e-05) ***** [1] xi(31)=2.617894298774152e-05 xi_scaled(31)=1.000000000140081 zeta(32)=0 Stats: nr=36 min=1 max=227 Safeguard: keep additional 5 states Emax=9.007129381295742 nrkept=480 nrkeptmult=1150 Total energy=-4.388849163104791 Egs=-1.463190596790887 Kept: 480 out of 2022, ratio=0.237 GT[A_d-A_d]=239.8310342084109 I1T[A_d-A_d]=6.630397159153373e-16 I2T[A_d-A_d]=2.139498796077032e-07 Memory used: 89 MB Time elapsed: 8 s ***** [NRG] Iteration 33/67 (scale 1.8511308108334967e-05) ***** [1] xi(32)=1.851130810963151e-05 xi_scaled(32)=1.00000000007004 zeta(33)=0 Stats: nr=33 min=1 max=233 Safeguard: keep additional 2 states Emax=9.015501187226464 nrkept=499 nrkeptmult=1192 Total energy=-4.388865373914277 Egs=-0.8757246862839271 Kept: 499 out of 1802, ratio=0.277 GT[A_d-A_d]=263.6610856793647 I1T[A_d-A_d]=4.841053888538505e-16 I2T[A_d-A_d]=1.221537486726821e-07 Memory used: 89 MB Time elapsed: 8 s ***** [NRG] Iteration 34/67 (scale 1.3089471492037176e-05) ***** [1] xi(33)=1.308947149249557e-05 xi_scaled(33)=1.00000000003502 zeta(34)=0 Stats: nr=34 min=1 max=215 Safeguard: keep additional 1 states Emax=9.008421553564887 nrkept=432 nrkeptmult=1016 Total energy=-4.388885268246891 Egs=-1.519872870784975 Kept: 432 out of 1874, ratio=0.231 GT[A_d-A_d]=281.9305861618656 I1T[A_d-A_d]=3.251565328675881e-16 I2T[A_d-A_d]=6.888510960957777e-08 Memory used: 89 MB Time elapsed: 8 s ***** [NRG] Iteration 35/67 (scale 9.2556540541674836e-06) ***** [1] xi(34)=9.255654054329551e-06 xi_scaled(34)=1.00000000001751 zeta(35)=0 Stats: nr=31 min=1 max=214 Safeguard: keep additional 2 states Emax=9.000549013172211 nrkept=454 nrkeptmult=1082 Total energy=-4.388893070740815 Egs=-0.8429975752117302 Kept: 454 out of 1617, ratio=0.281 GT[A_d-A_d]=296.769707887278 I1T[A_d-A_d]=2.142544362916886e-16 I2T[A_d-A_d]=3.736051902688363e-08 Memory used: 89 MB Time elapsed: 8 s ***** [NRG] Iteration 36/67 (scale 6.5447357460185882e-06) ***** [1] xi(35)=6.544735746075888e-06 xi_scaled(35)=1.000000000008755 zeta(36)=0 Stats: nr=32 min=1 max=197 Safeguard: keep additional 2 states Emax=9.047318735794402 nrkept=401 nrkeptmult=937 Total energy=-4.388903261428426 Egs=-1.557081600430824 Kept: 401 out of 1704, ratio=0.235 GT[A_d-A_d]=305.0754327871985 I1T[A_d-A_d]=1.3465123943824e-16 I2T[A_d-A_d]=2.002133765671629e-08 Memory used: 89 MB Time elapsed: 8 s ***** [NRG] Iteration 37/67 (scale 4.6278270270837418e-06) ***** [1] xi(36)=4.627827027104e-06 xi_scaled(36)=1.000000000004378 zeta(37)=0 Stats: nr=31 min=1 max=203 Safeguard: keep additional 2 states Emax=9.006437136174021 nrkept=393 nrkeptmult=912 Total energy=-4.388907073552802 Egs=-0.823739598323418 Kept: 393 out of 1502, ratio=0.262 GT[A_d-A_d]=311.8946754742108 I1T[A_d-A_d]=9.094959691989151e-17 I2T[A_d-A_d]=1.033153180668284e-08 Memory used: 89 MB Time elapsed: 8 s ***** [NRG] Iteration 38/67 (scale 3.2723678730092941e-06) ***** [1] xi(37)=3.272367873016457e-06 xi_scaled(37)=1.000000000002189 zeta(38)=0 Stats: nr=28 min=1 max=171 Safeguard: keep additional 1 states Emax=9.001787739799285 nrkept=369 nrkeptmult=855 Total energy=-4.388912239919586 Egs=-1.578785449802623 Kept: 369 out of 1468, ratio=0.251 GT[A_d-A_d]=313.886866739752 I1T[A_d-A_d]=5.715613884566243e-17 I2T[A_d-A_d]=5.335973761199631e-09 Memory used: 89 MB Time elapsed: 8 s ***** [NRG] Iteration 39/67 (scale 2.3139135135418709e-06) ***** [1] xi(38)=2.313913513544403e-06 xi_scaled(38)=1.000000000001094 zeta(39)=0 Stats: nr=31 min=1 max=187 Emax=9.120108249076408 nrkept=375 nrkeptmult=844 Total energy=-4.388914121613941 Egs=-0.8132085941832682 Kept: 375 out of 1379, ratio=0.272 GT[A_d-A_d]=316.9725252913131 I1T[A_d-A_d]=3.746135640848213e-17 I2T[A_d-A_d]=2.680655644322131e-09 Memory used: 89 MB Time elapsed: 8 s ***** [NRG] Iteration 40/67 (scale 1.6361839365046471e-06) ***** [1] xi(39)=1.636183936505542e-06 xi_scaled(39)=1.000000000000547 zeta(40)=0 Stats: nr=28 min=1 max=167 Safeguard: keep additional 3 states Emax=9.006054574063816 nrkept=335 nrkeptmult=755 Total energy=-4.388916724070374 Egs=-1.590564712858486 Kept: 335 out of 1396, ratio=0.24 GT[A_d-A_d]=316.4481347508539 I1T[A_d-A_d]=2.109637960096669e-17 I2T[A_d-A_d]=1.361402121195245e-09 Memory used: 89 MB Time elapsed: 8 s ***** [NRG] Iteration 41/67 (scale 1.1569567567709354e-06) ***** [1] xi(40)=1.156956756771252e-06 xi_scaled(40)=1.000000000000274 zeta(41)=0 Stats: nr=29 min=2 max=172 Emax=9.322616158253187 nrkept=375 nrkeptmult=844 Total energy=-4.388917658530255 Egs=-0.8076878203962703 Kept: 375 out of 1247, ratio=0.301 GT[A_d-A_d]=318.4189840193865 I1T[A_d-A_d]=1.207934164616901e-17 I2T[A_d-A_d]=6.776952439326836e-10 Memory used: 89 MB Time elapsed: 8 s ***** [NRG] Iteration 42/67 (scale 8.1809196825232353e-07) ***** [1] xi(41)=8.180919682524354e-07 xi_scaled(41)=1.000000000000137 zeta(42)=0 Stats: nr=28 min=1 max=167 Safeguard: keep additional 1 states Emax=9.078654705988928 nrkept=329 nrkeptmult=739 Total energy=-4.388918964784722 Egs=-1.596708582286474 Kept: 329 out of 1396, ratio=0.236 GT[A_d-A_d]=317.1275095688985 I1T[A_d-A_d]=4.154597344608837e-18 I2T[A_d-A_d]=3.422420108287557e-10 Memory used: 89 MB Time elapsed: 8 s ***** [NRG] Iteration 43/67 (scale 5.7847837838546772e-07) ***** [1] xi(42)=5.784783783855073e-07 xi_scaled(42)=1.000000000000068 zeta(43)=0 Stats: nr=29 min=2 max=170 Emax=9.432245601538998 nrkept=375 nrkeptmult=844 Total energy=-4.388919430378351 Egs=-0.8048591740611303 Kept: 375 out of 1223, ratio=0.307 GT[A_d-A_d]=318.807600272963 I1T[A_d-A_d]=1.032968259705195e-18 I2T[A_d-A_d]=1.699298994455929e-10 Memory used: 89 MB Time elapsed: 8 s ***** [NRG] Iteration 44/67 (scale 4.0904598412616176e-07) ***** [1] xi(43)=4.090459841261758e-07 xi_scaled(43)=1.000000000000034 zeta(44)=0 Stats: nr=28 min=1 max=167 Emax=9.185290650172183 nrkept=328 nrkeptmult=738 Total energy=-4.388920084789385 Egs=-1.599847106553016 Kept: 328 out of 1396, ratio=0.235 GT[A_d-A_d]=317.2964277234864 I1T[A_d-A_d]=-6.607704848711409e-19 I2T[A_d-A_d]=8.570490968707811e-11 Memory used: 89 MB Time elapsed: 8 s ***** [NRG] Iteration 45/67 (scale 2.8923918919273386e-07) ***** [1] xi(44)=2.892391891927388e-07 xi_scaled(44)=1.000000000000017 zeta(45)=0 Stats: nr=29 min=2 max=169 Emax=9.489087353967379 nrkept=375 nrkeptmult=844 Total energy=-4.388920317172008 Egs=-0.8034271702973993 Kept: 375 out of 1219, ratio=0.308 GT[A_d-A_d]=318.9139490841285 I1T[A_d-A_d]=-1.75813413487813e-19 I2T[A_d-A_d]=4.251509697485225e-11 Memory used: 89 MB Time elapsed: 8 s ***** [NRG] Iteration 46/67 (scale 2.0452299206308088e-07) ***** [1] xi(45)=2.045229920630826e-07 xi_scaled(45)=1.000000000000008 zeta(46)=0 Stats: nr=28 min=1 max=167 Emax=9.200119882577743 nrkept=328 nrkeptmult=738 Total energy=-4.388920644701961 Egs=-1.601433409301604 Kept: 328 out of 1396, ratio=0.235 GT[A_d-A_d]=317.3365921052112 I1T[A_d-A_d]=-7.912520226467869e-20 I2T[A_d-A_d]=2.143903912569536e-11 Memory used: 89 MB Time elapsed: 8 s ***** [NRG] Iteration 47/67 (scale 1.4461959459636693e-07) ***** [1] xi(46)=1.446195945963676e-07 xi_scaled(46)=1.000000000000004 zeta(47)=0 Stats: nr=29 min=2 max=169 Emax=9.517815511443274 nrkept=375 nrkeptmult=844 Total energy=-4.388920760789073 Egs=-0.80270666730645 Kept: 375 out of 1219, ratio=0.308 GT[A_d-A_d]=318.9447285872434 I1T[A_d-A_d]=3.175854496369249e-19 I2T[A_d-A_d]=1.063090956709746e-11 Memory used: 89 MB Time elapsed: 8 s ***** [NRG] Iteration 48/67 (scale 1.0226149603154044e-07) ***** [1] xi(47)=1.022614960315407e-07 xi_scaled(47)=1.000000000000002 zeta(48)=0 Stats: nr=28 min=1 max=167 Emax=9.207574236130792 nrkept=328 nrkeptmult=738 Total energy=-4.388920924635599 Egs=-1.602230870848207 Kept: 328 out of 1396, ratio=0.235 GT[A_d-A_d]=317.3452088679802 I1T[A_d-A_d]=7.206676670018714e-20 I2T[A_d-A_d]=5.360903263170771e-12 Memory used: 89 MB Time elapsed: 8 s ***** [NRG] Iteration 49/67 (scale 7.2309797298183465e-08) ***** [1] xi(48)=7.230979729818354e-08 xi_scaled(48)=1.000000000000001 zeta(49)=0 Stats: nr=29 min=2 max=169 Emax=9.53148650894979 nrkept=375 nrkeptmult=844 Total energy=-4.388920982653024 Egs=-0.802345280185745 Kept: 375 out of 1219, ratio=0.308 GT[A_d-A_d]=318.9541734669175 I1T[A_d-A_d]=9.710074170425096e-20 I2T[A_d-A_d]=2.657852642645023e-12 Memory used: 89 MB Time elapsed: 8 s ***** [NRG] Iteration 50/67 (scale 5.113074801577022e-08) ***** [1] xi(49)=5.113074801577025e-08 xi_scaled(49)=1.000000000000001 zeta(50)=0 Stats: nr=28 min=1 max=167 Emax=9.211311744228292 nrkept=328 nrkeptmult=738 Total energy=-4.38892106459673 Egs=-1.602630685535764 Kept: 328 out of 1396, ratio=0.235 GT[A_d-A_d]=317.3463179820082 I1T[A_d-A_d]=-4.184373261721332e-20 I2T[A_d-A_d]=1.340339427150146e-12 Memory used: 89 MB Time elapsed: 8 s ***** [NRG] Iteration 51/67 (scale 3.6154898649091733e-08) ***** [1] xi(50)=3.615489864909175e-08 xi_scaled(50)=1 zeta(51)=0 Stats: nr=29 min=2 max=169 Safeguard: keep additional 1 states Emax=9.536844977714898 nrkept=376 nrkeptmult=850 Total energy=-4.388921093598898 Egs=-0.8021643014254142 Kept: 376 out of 1219, ratio=0.308 GT[A_d-A_d]=318.9583791642598 I1T[A_d-A_d]=3.406292280871862e-20 I2T[A_d-A_d]=6.644774910633428e-13 Memory used: 89 MB Time elapsed: 8 s ***** [NRG] Iteration 52/67 (scale 2.556537400788511e-08) ***** [1] xi(51)=2.556537400788511e-08 xi_scaled(51)=1 zeta(52)=0 Stats: nr=28 min=1 max=167 Emax=9.213183996743004 nrkept=328 nrkeptmult=738 Total energy=-4.388921134575869 Egs=-1.602830864646442 Kept: 328 out of 1400, ratio=0.234 GT[A_d-A_d]=317.3457803080079 I1T[A_d-A_d]=3.430938385716821e-21 I2T[A_d-A_d]=3.350967463099141e-13 Memory used: 89 MB Time elapsed: 8 s ***** [NRG] Iteration 53/67 (scale 1.8077449324545866e-08) ***** [1] xi(52)=1.807744932454587e-08 xi_scaled(52)=1 zeta(53)=0 Stats: nr=29 min=2 max=169 Safeguard: keep additional 1 states Emax=9.539134203239467 nrkept=376 nrkeptmult=850 Total energy=-4.388921149075315 Egs=-0.8020737405980765 Kept: 376 out of 1219, ratio=0.308 GT[A_d-A_d]=318.9591325655789 I1T[A_d-A_d]=4.460041540612285e-20 I2T[A_d-A_d]=1.66120155649459e-13 Memory used: 89 MB Time elapsed: 8 s ***** [NRG] Iteration 54/67 (scale 1.2782687003942555e-08) ***** [1] xi(53)=1.278268700394256e-08 xi_scaled(53)=1 zeta(54)=0 Stats: nr=28 min=1 max=167 Emax=9.214120260997809 nrkept=328 nrkeptmult=738 Total energy=-4.388921169565081 Egs=-1.602931022235877 Kept: 328 out of 1400, ratio=0.234 GT[A_d-A_d]=317.344985200177 I1T[A_d-A_d]=3.293476477546993e-20 I2T[A_d-A_d]=8.377548116502922e-14 Memory used: 89 MB Time elapsed: 8 s ***** [NRG] Iteration 55/67 (scale 9.0387246622729332e-09) ***** [1] xi(54)=9.038724662272933e-09 xi_scaled(54)=1 zeta(55)=0 Stats: nr=29 min=2 max=169 Safeguard: keep additional 2 states Emax=9.540284860955843 nrkept=377 nrkeptmult=854 Total energy=-4.388921176814395 Egs=-0.8020284423132938 Kept: 377 out of 1219, ratio=0.309 GT[A_d-A_d]=318.9600047655467 I1T[A_d-A_d]=5.691554498929768e-20 I2T[A_d-A_d]=4.153046407212661e-14 Memory used: 89 MB Time elapsed: 8 s ***** [NRG] Iteration 56/67 (scale 6.3913435019712775e-09) ***** [1] xi(55)=6.391343501971278e-09 xi_scaled(55)=1 zeta(56)=0 Stats: nr=28 min=1 max=167 Emax=9.214588193488185 nrkept=328 nrkeptmult=738 Total energy=-4.388921187059598 Egs=-1.602981118045819 Kept: 328 out of 1404, ratio=0.234 GT[A_d-A_d]=317.3442038724053 I1T[A_d-A_d]=4.339909712510297e-20 I2T[A_d-A_d]=2.094400675954215e-14 Memory used: 89 MB Time elapsed: 9 s ***** [NRG] Iteration 57/67 (scale 4.5193623311364666e-09) ***** [1] xi(56)=4.519362331136467e-09 xi_scaled(56)=1 zeta(57)=0 Stats: nr=29 min=2 max=169 Emax=9.540827685104663 nrkept=375 nrkeptmult=844 Total energy=-4.388921190684153 Egs=-0.802005788706121 Kept: 375 out of 1219, ratio=0.308 GT[A_d-A_d]=318.9573847457262 I1T[A_d-A_d]=4.430815892477594e-20 I2T[A_d-A_d]=1.038235539807057e-14 Memory used: 89 MB Time elapsed: 9 s ***** [NRG] Iteration 58/67 (scale 3.1956717509856388e-09) ***** [1] xi(57)=3.195671750985639e-09 xi_scaled(57)=1 zeta(58)=0 Stats: nr=28 min=1 max=167 Emax=9.21482239852253 nrkept=328 nrkeptmult=738 Total energy=-4.388921195806835 Egs=-1.603006170203704 Kept: 328 out of 1396, ratio=0.235 GT[A_d-A_d]=317.343414987344 I1T[A_d-A_d]=2.864689474012945e-20 I2T[A_d-A_d]=5.236010310295583e-15 Memory used: 89 MB Time elapsed: 9 s ***** [NRG] Iteration 59/67 (scale 2.2596811655682333e-09) ***** [1] xi(58)=2.259681165568233e-09 xi_scaled(58)=1 zeta(59)=0 Stats: nr=29 min=2 max=169 Emax=9.541098429311601 nrkept=375 nrkeptmult=844 Total energy=-4.388921197619086 Egs=-0.8019944607889326 Kept: 375 out of 1219, ratio=0.308 GT[A_d-A_d]=318.956805742711 I1T[A_d-A_d]=2.089965844786417e-20 I2T[A_d-A_d]=2.59558439403554e-15 Memory used: 89 MB Time elapsed: 9 s ***** [NRG] Iteration 60/67 (scale 1.5978358754928194e-09) ***** [1] xi(59)=1.597835875492819e-09 xi_scaled(59)=1 zeta(60)=0 Stats: nr=28 min=1 max=167 Emax=9.21493951011875 nrkept=328 nrkeptmult=738 Total energy=-4.388921200180447 Egs=-1.603018697344673 Kept: 328 out of 1396, ratio=0.235 GT[A_d-A_d]=317.3426642004297 I1T[A_d-A_d]=7.772045248293332e-21 I2T[A_d-A_d]=1.309002295269122e-15 Memory used: 89 MB Time elapsed: 9 s ***** [NRG] Iteration 61/67 (scale 1.1298405827841166e-09) ***** [1] xi(60)=1.129840582784117e-09 xi_scaled(60)=1 zeta(61)=0 Stats: nr=29 min=2 max=169 Emax=9.541233127700915 nrkept=375 nrkeptmult=844 Total energy=-4.388921201086567 Egs=-0.801988796553316 Kept: 375 out of 1219, ratio=0.308 GT[A_d-A_d]=318.9561521769398 I1T[A_d-A_d]=2.311088509304174e-21 I2T[A_d-A_d]=6.488947987835282e-16 Memory used: 89 MB Time elapsed: 9 s ***** [NRG] Iteration 62/67 (scale 7.9891793774640969e-10) ***** [1] xi(61)=7.989179377464097e-10 xi_scaled(61)=1 zeta(62)=0 Stats: nr=28 min=1 max=167 Emax=9.214998068144993 nrkept=328 nrkeptmult=738 Total energy=-4.388921202367253 Egs=-1.603024961180047 Kept: 328 out of 1396, ratio=0.235 GT[A_d-A_d]=317.3419272343004 I1T[A_d-A_d]=-3.374026097751185e-21 I2T[A_d-A_d]=3.272501647503267e-16 Memory used: 89 MB Time elapsed: 9 s ***** [NRG] Iteration 63/67 (scale 5.6492029139205832e-10) ***** [1] xi(62)=5.649202913920583e-10 xi_scaled(62)=1 zeta(63)=0 Stats: nr=29 min=2 max=169 Emax=9.541300391531681 nrkept=375 nrkeptmult=844 Total energy=-4.388921202820311 Egs=-0.8019859643669747 Kept: 375 out of 1219, ratio=0.308 GT[A_d-A_d]=318.9554623278295 I1T[A_d-A_d]=-3.466135768964197e-21 I2T[A_d-A_d]=1.622233523744302e-16 Memory used: 89 MB Time elapsed: 9 s ***** [NRG] Iteration 64/67 (scale 3.9945896887320485e-10) ***** [1] xi(63)=3.994589688732048e-10 xi_scaled(63)=1 zeta(64)=0 Stats: nr=28 min=1 max=167 Safeguard: keep additional 3 states Emax=9.215034305888743 nrkept=331 nrkeptmult=741 Total energy=-4.388921203460654 Egs=-1.603028093163612 Kept: 331 out of 1396, ratio=0.237 GT[A_d-A_d]=317.342847175872 I1T[A_d-A_d]=-3.401638703301719e-21 I2T[A_d-A_d]=8.181328238366061e-17 Memory used: 89 MB Time elapsed: 9 s ***** [NRG] Iteration 65/67 (scale 2.8246014569602916e-10) ***** [1] xi(64)=2.824601456960292e-10 xi_scaled(64)=1 zeta(65)=0 Stats: nr=29 min=2 max=170 Safeguard: keep additional 5 states Emax=9.541348135472477 nrkept=380 nrkeptmult=856 Total energy=-4.388921203687183 Egs=-0.8019845482570246 Kept: 380 out of 1228, ratio=0.309 GT[A_d-A_d]=318.9573563186113 I1T[A_d-A_d]=-1.578744477097778e-21 I2T[A_d-A_d]=4.055694039523398e-17 Memory used: 89 MB Time elapsed: 9 s ***** [NRG] Iteration 66/67 (scale 1.9972948443660242e-10) ***** [1] xi(65)=1.997294844366024e-10 xi_scaled(65)=1 zeta(66)=0 Stats: nr=28 min=1 max=170 Safeguard: keep additional 3 states Emax=9.215045251988903 nrkept=331 nrkeptmult=741 Total energy=-4.388921204007356 Egs=-1.603029659172584 Kept: 331 out of 1416, ratio=0.234 GT[A_d-A_d]=317.3421440268158 I1T[A_d-A_d]=-9.304470236417232e-22 I2T[A_d-A_d]=2.045328981445352e-17 Memory used: 89 MB Time elapsed: 9 s ***** [NRG] Iteration 67/67 (scale 1.4123007284801458e-10) ***** [1] xi(66)=1.412300728480146e-10 xi_scaled(66)=1 zeta(67)=0 Stats: nr=29 min=2 max=170 Safeguard: keep additional 9 states Emax=9.541363207271575 nrkept=384 nrkeptmult=860 Total energy=-4.38892120412062 Egs=-0.8019838401979353 Kept: 384 out of 1228, ratio=0.313 GT[A_d-A_d]=318.9575023521969 I1T[A_d-A_d]=-6.643506340377827e-23 I2T[A_d-A_d]=1.013930995376004e-17 Memory used: 89 MB Time elapsed: 9 s ** Iteration completed. Spectrum: A_d-A_d GT Spectrum: A_d-A_d I1T Spectrum: A_d-A_d I2T Total energy: -4.38892120412062 TKW=2.162749368205026e-05 Memory usage report =================== after diag: 109936 kB after recalc: 109936 kB after split: 109936 kB after trim: 109936 kB after trunc: 109936 kB diag_h: 109936 kB Peak usage: 109936 kB Timing report ============= All: 9 s diag: 8 s recalc d: 0 s recalc f: 0 s spec gt: 0 s spec i1t: 0 s spec i2t: 0 s Other: 0 s