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.4Dzn5yp5Mj 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=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=67 subspaces=4 Reading <||||> (e) Reading <||||> (z) length_coef_table=67 Nmax=67 Number of invariant subspaces: 4 (-1 2) 1 states 0.08742974690641159 (0 1) 1 states 0 (0 3) 1 states 0.1165729958752154 (1 2) 1 states 0.08742974690641159 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 1/67 (scale 1.2131570881878404) ***** [1] xi(0)=0.5739838990129388 xi_scaled(0)=0.4731323788169347 zeta(1)=0 Stats: nr=8 min=1 max=4 Emax=1.897947880450077 nrkept=15 nrkeptmult=32 Total energy=-1.151539536988605 Egs=-0.8255645923683794 Kept: 15 out of 15, ratio=1 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=13 min=1 max=9 Emax=3.800471519140242 nrkept=56 nrkeptmult=128 Total energy=-1.656730653065172 Egs=-0.5889164189058914 Kept: 56 out of 56, ratio=1 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=19 min=1 max=35 Emax=8.487265542825519 nrkept=210 nrkeptmult=512 Total energy=-2.574535897404569 Egs=-1.51308557362571 Kept: 210 out of 210, ratio=1 Memory used: 54 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=26 min=1 max=99 Safeguard: keep additional 1 states Emax=10.30664757529786 nrkept=680 nrkeptmult=1772 Total energy=-3.083252423030691 Egs=-1.186052188869358 Kept: 680 out of 792, ratio=0.859 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=34 min=1 max=305 Emax=10.23052727954397 nrkept=1046 nrkeptmult=2808 Total energy=-3.553478323535809 Egs=-1.550420485800467 Kept: 1046 out of 2580, ratio=0.405 Memory used: 72 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=40 min=2 max=418 Safeguard: keep additional 1 states Emax=10.00050911840954 nrkept=1102 nrkeptmult=2904 Total energy=-3.756514720166419 Egs=-0.9467424410775465 Kept: 1102 out of 3966, ratio=0.278 Memory used: 79 MB Time elapsed: 0 s ***** [NRG] Iteration 7/67 (scale 0.15164463602348005) ***** [1] xi(6)=0.152902811956196 xi_scaled(6)=1.008296870668878 zeta(7)=0 Stats: nr=40 min=1 max=477 Safeguard: keep additional 2 states Emax=10.00115465305018 nrkept=932 nrkeptmult=2438 Total energy=-3.975563240106948 Egs=-1.444485777305125 Kept: 932 out of 4189, ratio=0.222 Memory used: 80 MB Time elapsed: 0 s ***** [NRG] Iteration 8/67 (scale 0.10722895046276855) ***** [1] xi(7)=0.1075508678417629 xi_scaled(7)=1.003002149863493 zeta(8)=0 Stats: nr=40 min=1 max=380 Safeguard: keep additional 3 states Emax=10.00145411713209 nrkept=932 nrkeptmult=2372 Total energy=-4.075704368471566 Egs=-0.933900107503045 Kept: 932 out of 3542, ratio=0.263 Memory used: 80 MB Time elapsed: 0 s ***** [NRG] Iteration 9/67 (scale 0.075822318011740025) ***** [1] xi(8)=0.07592236585864423 xi_scaled(8)=1.001319503934036 zeta(9)=0 Stats: nr=34 min=1 max=424 Emax=10.0008135683992 nrkept=797 nrkeptmult=2050 Total energy=-4.183845644839428 Egs=-1.426245981441997 Kept: 797 out of 3529, ratio=0.226 Memory used: 80 MB Time elapsed: 0 s ***** [NRG] Iteration 10/67 (scale 0.053614475231384275) ***** [1] xi(9)=0.05364782713658343 xi_scaled(9)=1.000622069041154 zeta(10)=0 Stats: nr=40 min=1 max=327 Safeguard: keep additional 1 states Emax=10.01204069325913 nrkept=914 nrkeptmult=2324 Total energy=-4.234392039473542 Egs=-0.9427751445103474 Kept: 914 out of 3020, ratio=0.303 Memory used: 80 MB Time elapsed: 1 s ***** [NRG] Iteration 11/67 (scale 0.037911159005870013) ***** [1] xi(10)=0.03792261705256315 xi_scaled(10)=1.000302234144078 zeta(11)=0 Stats: nr=34 min=1 max=416 Emax=10.00520391982393 nrkept=797 nrkeptmult=2050 Total energy=-4.287857553486884 Egs=-1.410284344117862 Kept: 797 out of 3461, ratio=0.23 Memory used: 80 MB Time elapsed: 1 s ***** [NRG] Iteration 12/67 (scale 0.026807237615692137) ***** [1] xi(11)=0.02681123139335603 xi_scaled(11)=1.000148981320685 zeta(12)=0 Stats: nr=40 min=1 max=327 Safeguard: keep additional 2 states Emax=10.00365145004996 nrkept=898 nrkeptmult=2278 Total energy=-4.313471814207446 Egs=-0.9554979549839357 Kept: 898 out of 3020, ratio=0.297 Memory used: 80 MB Time elapsed: 1 s ***** [NRG] Iteration 13/67 (scale 0.018955579502935006) ***** [1] xi(12)=0.01895698153749041 xi_scaled(12)=1.000073964214873 zeta(13)=0 Stats: nr=34 min=1 max=410 Emax=10.01141371345713 nrkept=797 nrkeptmult=2050 Total energy=-4.339866976454404 Egs=-1.392474561005721 Kept: 797 out of 3397, ratio=0.235 Memory used: 80 MB Time elapsed: 1 s ***** [NRG] Iteration 14/67 (scale 0.013403618807846069) ***** [1] xi(13)=0.01340411275001429 xi_scaled(13)=1.000036851403737 zeta(14)=0 Stats: nr=40 min=1 max=327 Safeguard: keep additional 1 states Emax=10.01173163259745 nrkept=886 nrkeptmult=2244 Total energy=-4.352882566559019 Egs=-0.9710504522104106 Kept: 886 out of 3020, ratio=0.293 Memory used: 80 MB Time elapsed: 1 s ***** [NRG] Iteration 15/67 (scale 0.0094777897514675032) ***** [1] xi(14)=0.009477964077759639 xi_scaled(14)=1.000018393137715 zeta(15)=0 Stats: nr=34 min=1 max=404 Emax=10.01939574905161 nrkept=797 nrkeptmult=2050 Total energy=-4.365883376090862 Egs=-1.371713223521275 Kept: 797 out of 3349, ratio=0.238 Memory used: 80 MB Time elapsed: 1 s ***** [NRG] Iteration 16/67 (scale 0.0067018094039230343) ***** [1] xi(15)=0.006701870983107951 xi_scaled(15)=1.000009188441689 zeta(16)=0 Stats: nr=40 min=1 max=327 Safeguard: keep additional 3 states Emax=10.01057889340965 nrkept=878 nrkeptmult=2224 Total energy=-4.372516806310049 Egs=-0.989796906982146 Kept: 878 out of 3020, ratio=0.291 Memory used: 80 MB Time elapsed: 1 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=398 Safeguard: keep additional 3 states Emax=10.023541880704 nrkept=800 nrkeptmult=2058 Total energy=-4.378900670056676 Egs=-1.347120776895894 Kept: 800 out of 3317, ratio=0.241 Memory used: 80 MB Time elapsed: 1 s ***** [NRG] Iteration 18/67 (scale 0.0033509047019615172) ***** [1] xi(17)=0.003350912394258439 xi_scaled(17)=1.000002295588089 zeta(18)=0 Stats: nr=40 min=1 max=328 Safeguard: keep additional 3 states Emax=10.00158094026509 nrkept=862 nrkeptmult=2172 Total energy=-4.38229361495465 Egs=-1.012545924086539 Kept: 862 out of 3032, ratio=0.284 Memory used: 80 MB Time elapsed: 2 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=390 Safeguard: keep additional 2 states Emax=10.00163486778 nrkept=796 nrkeptmult=2046 Total energy=-4.385415825963865 Egs=-1.317695830394206 Kept: 796 out of 3253, ratio=0.245 Memory used: 80 MB Time elapsed: 2 s ***** [NRG] Iteration 20/67 (scale 0.0016754523509807586) ***** [1] xi(19)=0.001675453312358546 xi_scaled(19)=1.000000573801927 zeta(20)=0 Stats: nr=40 min=1 max=326 Safeguard: keep additional 1 states Emax=10.01250561233125 nrkept=848 nrkeptmult=2120 Total energy=-4.387159033932842 Egs=-1.040440193931026 Kept: 848 out of 3016, ratio=0.281 Memory used: 80 MB Time elapsed: 2 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=388 Safeguard: keep additional 3 states Emax=10.00756840421337 nrkept=803 nrkeptmult=2062 Total energy=-4.38867812519968 Egs=-1.28223250920155 Kept: 803 out of 3197, ratio=0.251 Memory used: 80 MB Time elapsed: 2 s ***** [NRG] Iteration 22/67 (scale 0.00083772617549037929) ***** [1] xi(21)=0.0008377262956576245 xi_scaled(21)=1.000000143444539 zeta(22)=0 Stats: nr=40 min=1 max=329 Emax=10.00720938868531 nrkept=836 nrkeptmult=2084 Total energy=-4.389578660990624 Egs=-1.074976307641933 Kept: 836 out of 3040, ratio=0.275 Memory used: 80 MB Time elapsed: 2 s ***** [NRG] Iteration 23/67 (scale 0.00059236185946671895) ***** [1] xi(22)=0.0005923619019519626 xi_scaled(22)=1.000000071721774 zeta(23)=0 Stats: nr=34 min=1 max=386 Safeguard: keep additional 1 states Emax=10.00936002702718 nrkept=802 nrkeptmult=2060 Total energy=-4.39031280753449 Egs=-1.239354850641596 Kept: 802 out of 3152, ratio=0.254 Memory used: 80 MB Time elapsed: 2 s ***** [NRG] Iteration 24/67 (scale 0.00041886308774518965) ***** [1] xi(23)=0.0004188631027659398 xi_scaled(23)=1.000000035860763 zeta(24)=0 Stats: nr=40 min=1 max=330 Safeguard: keep additional 1 states Emax=10.00161218386182 nrkept=821 nrkeptmult=2035 Total energy=-4.390781092286482 Egs=-1.117990020350133 Kept: 821 out of 3034, ratio=0.271 Memory used: 80 MB Time elapsed: 2 s ***** [NRG] Iteration 25/67 (scale 0.00029618092973335947) ***** [1] xi(24)=0.0002961809350439874 xi_scaled(24)=1.000000017930351 zeta(25)=0 Stats: nr=34 min=1 max=381 Emax=10.00421060129349 nrkept=801 nrkeptmult=2056 Total energy=-4.391132882767406 Egs=-1.187755340089317 Kept: 801 out of 3093, ratio=0.259 Memory used: 80 MB Time elapsed: 2 s ***** [NRG] Iteration 26/67 (scale 0.00020943154387259482) ***** [1] xi(25)=0.0002094315457501837 xi_scaled(25)=1.000000008965168 zeta(26)=0 Stats: nr=40 min=1 max=329 Safeguard: keep additional 1 states Emax=10.00160849857733 nrkept=792 nrkeptmult=1972 Total energy=-4.391378216416982 Egs=-1.171426448184438 Kept: 792 out of 3028, ratio=0.262 Memory used: 80 MB Time elapsed: 3 s ***** [NRG] Iteration 27/67 (scale 0.00014809046486667974) ***** [1] xi(26)=0.0001480904655305074 xi_scaled(26)=1.000000004482582 zeta(27)=0 Stats: nr=34 min=1 max=366 Safeguard: keep additional 1 states Emax=10.00546684344219 nrkept=795 nrkeptmult=2028 Total energy=-4.391545095426377 Egs=-1.126872074752444 Kept: 795 out of 2985, ratio=0.266 Memory used: 80 MB Time elapsed: 3 s ***** [NRG] Iteration 28/67 (scale 0.00010471577193629741) ***** [1] xi(27)=0.0001047157721709959 xi_scaled(27)=1.00000000224129 zeta(28)=0 Stats: nr=38 min=1 max=326 Safeguard: keep additional 1 states Emax=10.00705083189827 nrkept=769 nrkeptmult=1935 Total energy=-4.391674581708815 Egs=-1.236549948917168 Kept: 769 out of 3004, ratio=0.256 Memory used: 80 MB Time elapsed: 3 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=34 min=1 max=353 Safeguard: keep additional 2 states Emax=10.01249108309928 nrkept=797 nrkeptmult=2022 Total energy=-4.391752942570357 Egs=-1.058283686428373 Kept: 797 out of 2902, ratio=0.275 Memory used: 80 MB Time elapsed: 3 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=38 min=1 max=326 Safeguard: keep additional 1 states Emax=10.01741553738865 nrkept=760 nrkeptmult=1922 Total energy=-4.391821643586179 Egs=-1.312142661066173 Kept: 760 out of 3008, ratio=0.253 Memory used: 80 MB Time elapsed: 3 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=34 min=1 max=348 Emax=10.00015877035374 nrkept=766 nrkeptmult=1920 Total energy=-4.391858201903086 Egs=-0.9874590356621135 Kept: 766 out of 2872, ratio=0.267 Memory used: 80 MB Time elapsed: 3 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=38 min=1 max=317 Safeguard: keep additional 3 states Emax=10.01567618333114 nrkept=721 nrkeptmult=1795 Total energy=-4.391894644097934 Egs=-1.392042255861566 Kept: 721 out of 2890, ratio=0.249 Memory used: 80 MB Time elapsed: 3 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=332 Safeguard: keep additional 1 states Emax=10.02758341916549 nrkept=728 nrkeptmult=1800 Total energy=-4.391911739594493 Egs=-0.9235163965242055 Kept: 728 out of 2718, ratio=0.268 Memory used: 80 MB Time elapsed: 3 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=36 min=1 max=304 Safeguard: keep additional 1 states Emax=10.02589663086577 nrkept=658 nrkeptmult=1614 Total energy=-4.391930917181898 Egs=-1.465115487406627 Kept: 658 out of 2744, ratio=0.24 Memory used: 80 MB Time elapsed: 3 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=33 min=1 max=311 Safeguard: keep additional 2 states Emax=10.00342697330829 nrkept=688 nrkeptmult=1688 Total energy=-4.391939011157394 Egs=-0.8744898468623928 Kept: 688 out of 2481, ratio=0.277 Memory used: 80 MB Time elapsed: 3 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=36 min=1 max=286 Safeguard: keep additional 1 states Emax=10.01331700803253 nrkept=604 nrkeptmult=1452 Total energy=-4.391948967222545 Egs=-1.521232565725859 Kept: 604 out of 2592, ratio=0.233 Memory used: 80 MB Time elapsed: 3 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=33 min=1 max=291 Safeguard: keep additional 1 states Emax=10.00350070616889 nrkept=615 nrkeptmult=1480 Total energy=-4.391952864968257 Egs=-0.8422410106505454 Kept: 615 out of 2270, ratio=0.271 Memory used: 80 MB Time elapsed: 4 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=36 min=1 max=260 Safeguard: keep additional 2 states Emax=10.00357355592022 nrkept=545 nrkeptmult=1291 Total energy=-4.39195796303074 Egs=-1.557912399046044 Kept: 545 out of 2310, ratio=0.236 Memory used: 80 MB Time elapsed: 4 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=33 min=1 max=266 Emax=10.07019988981246 nrkept=570 nrkeptmult=1334 Total energy=-4.391959868112211 Egs=-0.8233157634614903 Kept: 570 out of 2045, ratio=0.279 Memory used: 80 MB Time elapsed: 4 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=34 min=1 max=245 Safeguard: keep additional 1 states Emax=10.00107179147691 nrkept=511 nrkeptmult=1185 Total energy=-4.391962452052836 Egs=-1.579248253396427 Kept: 511 out of 2136, ratio=0.239 Memory used: 80 MB Time elapsed: 4 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=33 min=1 max=251 Emax=10.34743065062645 nrkept=567 nrkeptmult=1322 Total energy=-4.391963392639493 Egs=-0.812983416654402 Kept: 567 out of 1910, ratio=0.297 Memory used: 80 MB Time elapsed: 4 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=34 min=1 max=244 Safeguard: keep additional 1 states Emax=10.13856941212638 nrkept=499 nrkeptmult=1149 Total energy=-4.391964694067915 Egs=-1.590809435491586 Kept: 499 out of 2124, ratio=0.235 Memory used: 80 MB Time elapsed: 4 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=33 min=1 max=245 Emax=10.64157420848092 nrkept=567 nrkeptmult=1322 Total energy=-4.391965161230646 Egs=-0.8075716361874299 Kept: 567 out of 1862, ratio=0.305 Memory used: 80 MB Time elapsed: 4 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=34 min=1 max=244 Safeguard: keep additional 1 states Emax=10.3650733440782 nrkept=499 nrkeptmult=1149 Total energy=-4.391965814409372 Egs=-1.596834467301618 Kept: 499 out of 2124, ratio=0.235 Memory used: 80 MB Time elapsed: 4 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=33 min=1 max=245 Emax=10.73948702728449 nrkept=567 nrkeptmult=1322 Total energy=-4.391966047189115 Egs=-0.804800149977083 Kept: 567 out of 1862, ratio=0.305 Memory used: 80 MB Time elapsed: 4 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=34 min=1 max=244 Safeguard: keep additional 1 states Emax=10.49272020427983 nrkept=499 nrkeptmult=1149 Total energy=-4.391966374407689 Egs=-1.599910948457485 Kept: 499 out of 2124, ratio=0.235 Memory used: 80 MB Time elapsed: 4 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=33 min=1 max=245 Emax=10.79050621085297 nrkept=567 nrkeptmult=1322 Total energy=-4.391966490594699 Egs=-0.8033974277022959 Kept: 567 out of 1862, ratio=0.305 Memory used: 80 MB Time elapsed: 4 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=34 min=1 max=244 Emax=10.51149160010954 nrkept=498 nrkeptmult=1142 Total energy=-4.391966654362962 Egs=-1.601465551328586 Kept: 498 out of 2124, ratio=0.234 Memory used: 80 MB Time elapsed: 4 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=33 min=1 max=246 Emax=10.81624469377598 nrkept=567 nrkeptmult=1322 Total energy=-4.39196671240544 Egs=-0.8026917451477249 Kept: 567 out of 1857, ratio=0.305 Memory used: 80 MB Time elapsed: 4 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=34 min=1 max=244 Emax=10.51875765396564 nrkept=498 nrkeptmult=1142 Total energy=-4.391966794329527 Egs=-1.602246990615267 Kept: 498 out of 2124, ratio=0.234 Memory used: 80 MB Time elapsed: 4 s ***** [NRG] Iteration 51/67 (scale 3.6154898649091733e-08) ***** [1] xi(50)=3.615489864909175e-08 xi_scaled(50)=1 zeta(51)=0 Stats: nr=33 min=1 max=246 Emax=10.82889333161323 nrkept=567 nrkeptmult=1322 Total energy=-4.391966823337969 Egs=-0.8023378136507454 Kept: 567 out of 1857, ratio=0.305 Memory used: 80 MB Time elapsed: 4 s ***** [NRG] Iteration 52/67 (scale 2.556537400788511e-08) ***** [1] xi(51)=2.556537400788511e-08 xi_scaled(51)=1 zeta(52)=0 Stats: nr=34 min=1 max=244 Emax=10.52240832583607 nrkept=498 nrkeptmult=1142 Total energy=-4.391966864310028 Egs=-1.602638750695817 Kept: 498 out of 2124, ratio=0.234 Memory used: 80 MB Time elapsed: 4 s ***** [NRG] Iteration 53/67 (scale 1.8077449324545866e-08) ***** [1] xi(52)=1.807744932454587e-08 xi_scaled(52)=1 zeta(53)=0 Stats: nr=33 min=1 max=246 Emax=10.83345487335133 nrkept=567 nrkeptmult=1324 Total energy=-4.391966878811045 Egs=-0.8021605741000697 Kept: 567 out of 1857, ratio=0.305 Memory used: 80 MB Time elapsed: 4 s ***** [NRG] Iteration 54/67 (scale 1.2782687003942555e-08) ***** [1] xi(53)=1.278268700394256e-08 xi_scaled(53)=1 zeta(54)=0 Stats: nr=34 min=1 max=243 Emax=10.52424996528574 nrkept=498 nrkeptmult=1142 Total energy=-4.391966899299582 Egs=-1.602834891591231 Kept: 498 out of 2124, ratio=0.234 Memory used: 80 MB Time elapsed: 4 s ***** [NRG] Iteration 55/67 (scale 9.0387246622729332e-09) ***** [1] xi(54)=9.038724662272933e-09 xi_scaled(54)=1 zeta(55)=0 Stats: nr=33 min=1 max=246 Emax=10.83555194360278 nrkept=567 nrkeptmult=1324 Total energy=-4.391966906549289 Egs=-0.8020718857184019 Kept: 567 out of 1857, ratio=0.305 Memory used: 80 MB Time elapsed: 4 s ***** [NRG] Iteration 56/67 (scale 6.3913435019712775e-09) ***** [1] xi(55)=6.391343501971278e-09 xi_scaled(55)=1 zeta(56)=0 Stats: nr=34 min=1 max=243 Emax=10.52516652975293 nrkept=498 nrkeptmult=1142 Total energy=-4.391966916794185 Egs=-1.602933027345602 Kept: 498 out of 2124, ratio=0.234 Memory used: 80 MB Time elapsed: 4 s ***** [NRG] Iteration 57/67 (scale 4.5193623311364666e-09) ***** [1] xi(56)=4.519362331136467e-09 xi_scaled(56)=1 zeta(57)=0 Stats: nr=33 min=1 max=246 Emax=10.83659935438921 nrkept=567 nrkeptmult=1324 Total energy=-4.391966920418837 Egs=-0.8020275243568821 Kept: 567 out of 1857, ratio=0.305 Memory used: 80 MB Time elapsed: 5 s ***** [NRG] Iteration 58/67 (scale 3.1956717509856388e-09) ***** [1] xi(57)=3.195671750985639e-09 xi_scaled(57)=1 zeta(58)=0 Stats: nr=34 min=1 max=243 Emax=10.52562510701682 nrkept=498 nrkeptmult=1142 Total energy=-4.391966925541442 Egs=-1.602982111560705 Kept: 498 out of 2124, ratio=0.234 Memory used: 80 MB Time elapsed: 5 s ***** [NRG] Iteration 59/67 (scale 2.2596811655682333e-09) ***** [1] xi(58)=2.259681165568233e-09 xi_scaled(58)=1 zeta(59)=0 Stats: nr=33 min=1 max=246 Emax=10.83712277115898 nrkept=567 nrkeptmult=1324 Total energy=-4.391966927353718 Egs=-0.8020053393813629 Kept: 567 out of 1857, ratio=0.305 Memory used: 80 MB Time elapsed: 5 s ***** [NRG] Iteration 60/67 (scale 1.5978358754928194e-09) ***** [1] xi(59)=1.597835875492819e-09 xi_scaled(59)=1 zeta(60)=0 Stats: nr=34 min=1 max=243 Emax=10.5258544694945 nrkept=498 nrkeptmult=1142 Total energy=-4.39196692991506 Egs=-1.603006657753955 Kept: 498 out of 2124, ratio=0.234 Memory used: 80 MB Time elapsed: 5 s ***** [NRG] Iteration 61/67 (scale 1.1298405827841166e-09) ***** [1] xi(60)=1.129840582784117e-09 xi_scaled(60)=1 zeta(61)=0 Stats: nr=33 min=1 max=246 Emax=10.83738440794462 nrkept=567 nrkeptmult=1324 Total energy=-4.391966930821185 Egs=-0.8019942458197827 Kept: 567 out of 1857, ratio=0.305 Memory used: 80 MB Time elapsed: 5 s ***** [NRG] Iteration 62/67 (scale 7.9891793774640969e-10) ***** [1] xi(61)=7.989179377464097e-10 xi_scaled(61)=1 zeta(62)=0 Stats: nr=34 min=1 max=243 Emax=10.52596916919899 nrkept=498 nrkeptmult=1142 Total energy=-4.391966932101866 Egs=-1.603018931872055 Kept: 498 out of 2124, ratio=0.234 Memory used: 80 MB Time elapsed: 5 s ***** [NRG] Iteration 63/67 (scale 5.6492029139205832e-10) ***** [1] xi(62)=5.649202913920583e-10 xi_scaled(62)=1 zeta(63)=0 Stats: nr=33 min=1 max=246 Safeguard: keep additional 2 states Emax=10.83752004023906 nrkept=569 nrkeptmult=1330 Total energy=-4.391966932554926 Egs=-0.8019886987706085 Kept: 569 out of 1857, ratio=0.306 Memory used: 80 MB Time elapsed: 5 s ***** [NRG] Iteration 64/67 (scale 3.9945896887320485e-10) ***** [1] xi(63)=3.994589688732048e-10 xi_scaled(63)=1 zeta(64)=0 Stats: nr=34 min=1 max=244 Emax=10.52602652366641 nrkept=498 nrkeptmult=1142 Total energy=-4.391966933195269 Egs=-1.603025069186445 Kept: 498 out of 2132, ratio=0.234 Memory used: 80 MB Time elapsed: 5 s ***** [NRG] Iteration 65/67 (scale 2.8246014569602916e-10) ***** [1] xi(64)=2.824601456960292e-10 xi_scaled(64)=1 zeta(65)=0 Stats: nr=33 min=1 max=246 Safeguard: keep additional 8 states Emax=10.83759771055158 nrkept=575 nrkeptmult=1340 Total energy=-4.391966933421798 Egs=-0.8019859251789582 Kept: 575 out of 1857, ratio=0.31 Memory used: 80 MB Time elapsed: 5 s ***** [NRG] Iteration 66/67 (scale 1.9972948443660242e-10) ***** [1] xi(65)=1.997294844366024e-10 xi_scaled(65)=1 zeta(66)=0 Stats: nr=34 min=1 max=248 Emax=10.52604077124232 nrkept=498 nrkeptmult=1142 Total energy=-4.39196693374197 Egs=-1.603028137907454 Kept: 498 out of 2154, ratio=0.231 Memory used: 80 MB Time elapsed: 5 s ***** [NRG] Iteration 67/67 (scale 1.4123007284801458e-10) ***** [1] xi(66)=1.412300728480146e-10 xi_scaled(66)=1 zeta(67)=0 Stats: nr=33 min=1 max=246 Safeguard: keep additional 8 states Emax=10.83761594918119 nrkept=575 nrkeptmult=1340 Total energy=-4.391966933855234 Egs=-0.8019845383663426 Kept: 575 out of 1857, ratio=0.31 Memory used: 80 MB Time elapsed: 5 s ** Iteration completed. Total energy: -4.391966933855234 TKW=1.105767222408785e-05 Memory usage report =================== after diag: 82848 kB after recalc: 82848 kB after split: 82848 kB after trim: 82848 kB after trunc: 82848 kB diag_h: 82848 kB Peak usage: 82848 kB Timing report ============= All: 5 s diag: 5 s recalc f: 0 s Other: 0 s