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.DzyjoUoUuD substeps=0 Ninit=0 Lambda=2 strategy=kept lastall=0 lastalloverride=0 z=0.75 discretization=Z band=flat bandrescale=1 betabar=1 T=-999 keep=5000 keepenergy=10 keepmin=0 log= logall=0 logenumber=10 smooth=old alpha=0.3 omega0=-1 omega0_ratio=1 brcut=0 loggauss_b=0.3 gauss_b=0.1 limitLL=0 eta=0 finite=0 bins=100 accumulation=0 linstep=0 discard_trim=1e-16 discard_immediately=1e-16 NN1=0 NN2even=1 NN2avg=0 NNtanh=0 goodE=2 savebins=0 broaden=1 broaden_max=2.5 broaden_min=-99 broaden_min_ratio=3 broaden_ratio=1.05 dumpenergies=0 dumpannotated=0 dumpscaled=1 dumpabs=0 dumpprecision=8 dumpgroups=1 grouptol=1e-06 dumpdiagonal=0 ops= specs= specd= spect= specq= specot= reim=0 specgt= gtp=0.7 speci1t= speci2t= specchit= chitp=1 chitp_ratio=-999 dm=0 T0opt=-1 dmnrg=0 cfs=0 cfsgt=0 cfsls=0 fdm=0 fdmgt=0 fdmls=0 fdmexpv=0 fdmexpvn=0 cfsold=0 fdmold=0 width_td=12 width_custom=12 prec_td=6 prec_custom=6 prec_xy=6 safeguard=1e-05 safeguardmax=200 fixeps=1e-15 diag=dsyev diagratio=1 dsyevrlimit=100 zheevrlimit=100 restart=1 restartfactor=2 checkdiag=0 checkrho=0 calc0=1 tdht=0 spin=2 tri=old preccpp=2000 checksumrules=0 globalB=0 globalBx=0 polarized=0 pol2x2=0 mpi=0 noimag=1 dumpsubspaces=0 done=1 resume=0 forcestop=-1 stopafter= removefiles=1 dump_f=0 rungs=0 >> Input file for NRG Ljubljana, Rok Zitko, rok.zitko@ijs.si, 2005-2015 SYMMETRY TYPE: QS invdim=2 0 Q additive 1 SS additive I=(0 1) [0 (additive), 1 (additive)] singlet QNs=(0 1) mult=1 >> Using sneg version 1.250 V8 >> Number of channels, impurities, chain sites, subspaces: channels=1 impurities=0 Nmax=66 subspaces=4 Reading <||||> (e) Reading <||||> (z) length_coef_table=66 Nmax=66 Number of invariant subspaces: 4 (-1 2) 1 states 0.1236443338298944 (0 1) 1 states 0 (0 3) 1 states 0.1648591117731926 (1 2) 1 states 0.1236443338298944 Number of states (multiplicity taken into account): 8 Computing the following operators: s=[] p=[] g=[] d=[] v=[] t=[] q=[] ot=[] Computing the following spectra: Before NRG iteration (N=-1) ***** [NRG] Iteration 1/66 (scale 0.85783160370214839) ***** [1] xi(0)=0.5874247114443377 xi_scaled(0)=0.684778584642004 zeta(1)=0 Stats: nr=8 min=1 max=4 Emax=2.74659968239744 nrkept=15 nrkeptmult=32 Total energy=-1.178332162419167 Egs=-1.198757609280409 Kept: 15 out of 15, ratio=1 Memory used: 46 MB Time elapsed: 0 s ***** [NRG] Iteration 2/66 (scale 0.6065785440939202) ***** [1] xi(1)=0.505738132912278 xi_scaled(1)=0.8337553938175095 zeta(2)=0 Stats: nr=13 min=1 max=9 Emax=5.267118930946253 nrkept=56 nrkeptmult=128 Total energy=-1.621888180978738 Egs=-0.7312425124138461 Kept: 56 out of 56, ratio=1 Memory used: 46 MB Time elapsed: 0 s ***** [NRG] Iteration 3/66 (scale 0.4289158018510742) ***** [1] xi(2)=0.4062030653849694 xi_scaled(2)=0.9470461653124381 zeta(3)=0 Stats: nr=19 min=1 max=35 Emax=10.41722370371018 nrkept=210 nrkeptmult=512 Total energy=-2.234550124985891 Egs=-1.428396765432948 Kept: 210 out of 210, ratio=1 Memory used: 54 MB Time elapsed: 0 s ***** [NRG] Iteration 4/66 (scale 0.3032892720469601) ***** [1] xi(3)=0.294970735383244 xi_scaled(3)=0.9725722686873405 zeta(4)=0 Stats: nr=26 min=1 max=99 Emax=10.69689862513019 nrkept=583 nrkeptmult=1523 Total energy=-2.500622487422083 Egs=-0.8772890667725093 Kept: 583 out of 792, ratio=0.736 Memory used: 67 MB Time elapsed: 0 s ***** [NRG] Iteration 5/66 (scale 0.2144579009255371) ***** [1] xi(4)=0.2101971291227322 xi_scaled(4)=0.9801323626482555 zeta(5)=0 Stats: nr=34 min=1 max=261 Emax=10.0021289710532 nrkept=797 nrkeptmult=2112 Total energy=-2.806848406908335 Egs=-1.427906913966202 Kept: 797 out of 2213, ratio=0.36 Memory used: 70 MB Time elapsed: 0 s ***** [NRG] Iteration 6/66 (scale 0.15164463602348005) ***** [1] xi(5)=0.1498498162635206 xi_scaled(5)=0.9881643043432047 zeta(6)=0 Stats: nr=40 min=1 max=328 Safeguard: keep additional 3 states Emax=10.00206967766009 nrkept=982 nrkeptmult=2612 Total energy=-2.945048625288814 Egs=-0.9113426099626774 Kept: 982 out of 3030, ratio=0.324 Memory used: 74 MB Time elapsed: 0 s ***** [NRG] Iteration 7/66 (scale 0.10722895046276855) ***** [1] xi(6)=0.1065568804510635 xi_scaled(6)=0.9937323828238119 zeta(7)=0 Stats: nr=40 min=1 max=422 Emax=10.00673854463429 nrkept=813 nrkeptmult=2098 Total energy=-3.098090442581706 Egs=-1.427243450881581 Kept: 813 out of 3733, ratio=0.218 Memory used: 77 MB Time elapsed: 0 s ***** [NRG] Iteration 8/66 (scale 0.075822318011740025) ***** [1] xi(7)=0.07557981327750919 xi_scaled(7)=0.9968016707931129 zeta(8)=0 Stats: nr=40 min=1 max=335 Safeguard: keep additional 1 states Emax=10.00524771848819 nrkept=914 nrkeptmult=2324 Total energy=-3.16877086241402 Egs=-0.9321848986649337 Kept: 914 out of 3084, ratio=0.296 Memory used: 77 MB Time elapsed: 0 s ***** [NRG] Iteration 9/66 (scale 0.053614475231384275) ***** [1] xi(8)=0.05352798513607368 xi_scaled(8)=0.9983868144761778 zeta(9)=0 Stats: nr=34 min=1 max=416 Emax=10.00451362913229 nrkept=797 nrkeptmult=2050 Total energy=-3.244744381058676 Egs=-1.417033708094261 Kept: 797 out of 3461, ratio=0.23 Memory used: 77 MB Time elapsed: 0 s ***** [NRG] Iteration 10/66 (scale 0.037911159005870013) ***** [1] xi(9)=0.03788045410197667 xi_scaled(9)=0.99919008269073 zeta(10)=0 Stats: nr=40 min=1 max=327 Safeguard: keep additional 2 states Emax=10.00276440823028 nrkept=912 nrkeptmult=2316 Total energy=-3.280649820257376 Egs=-0.9470942102598423 Kept: 912 out of 3020, ratio=0.302 Memory used: 77 MB Time elapsed: 1 s ***** [NRG] Iteration 11/66 (scale 0.026807237615692137) ***** [1] xi(10)=0.026796360004706 xi_scaled(10)=0.999594228575802 zeta(11)=0 Stats: nr=34 min=1 max=416 Emax=10.00839491991374 nrkept=797 nrkeptmult=2050 Total energy=-3.318228063338851 Egs=-1.401794680235086 Kept: 797 out of 3453, ratio=0.231 Memory used: 77 MB Time elapsed: 1 s ***** [NRG] Iteration 12/66 (scale 0.018955579502935006) ***** [1] xi(11)=0.01895172987497082 xi_scaled(11)=0.9997969132010135 zeta(12)=0 Stats: nr=40 min=1 max=327 Safeguard: keep additional 1 states Emax=10.00119200444231 nrkept=886 nrkeptmult=2244 Total energy=-3.336465169853403 Egs=-0.9620970180166524 Kept: 886 out of 3020, ratio=0.293 Memory used: 77 MB Time elapsed: 1 s ***** [NRG] Iteration 13/66 (scale 0.013403618807846069) ***** [1] xi(12)=0.01340225708839997 xi_scaled(12)=0.999898406582161 zeta(13)=0 Stats: nr=34 min=1 max=404 Emax=10.0150773682194 nrkept=797 nrkeptmult=2050 Total energy=-3.355003219159407 Egs=-1.383063004981399 Kept: 797 out of 3349, ratio=0.238 Memory used: 78 MB Time elapsed: 1 s ***** [NRG] Iteration 14/66 (scale 0.0094777897514675032) ***** [1] xi(13)=0.009477308192719294 xi_scaled(13)=0.9999491908176024 zeta(14)=0 Stats: nr=40 min=1 max=327 Safeguard: keep additional 1 states Emax=10.00533460648337 nrkept=880 nrkeptmult=2228 Total energy=-3.364284852025548 Egs=-0.9793035200747966 Kept: 880 out of 3020, ratio=0.291 Memory used: 78 MB Time elapsed: 1 s ***** [NRG] Iteration 15/66 (scale 0.0067018094039230343) ***** [1] xi(14)=0.00670163912632195 xi_scaled(14)=0.9999745922942863 zeta(15)=0 Stats: nr=34 min=1 max=400 Emax=10.02379066133318 nrkept=797 nrkeptmult=2050 Total energy=-3.373404075988534 Egs=-1.360710729500527 Kept: 797 out of 3325, ratio=0.24 Memory used: 78 MB Time elapsed: 1 s ***** [NRG] Iteration 16/66 (scale 0.0047388948757337516) ***** [1] xi(15)=0.00473883466982298 xi_scaled(15)=0.9999872953689942 zeta(16)=0 Stats: nr=40 min=1 max=327 Safeguard: keep additional 1 states Emax=10.00379185951114 nrkept=867 nrkeptmult=2185 Total energy=-3.37814231212954 Egs=-0.9998609940195788 Kept: 867 out of 3020, ratio=0.287 Memory used: 78 MB Time elapsed: 1 s ***** [NRG] Iteration 17/66 (scale 0.0033509047019615172) ***** [1] xi(16)=0.003350883415305955 xi_scaled(16)=0.9999936474900196 zeta(17)=0 Stats: nr=34 min=1 max=394 Safeguard: keep additional 3 states Emax=10.01841975833061 nrkept=800 nrkeptmult=2058 Total energy=-3.38261247234861 Egs=-1.334015920074801 Kept: 800 out of 3273, ratio=0.244 Memory used: 78 MB Time elapsed: 2 s ***** [NRG] Iteration 18/66 (scale 0.0023694474378668758) ***** [1] xi(17)=0.002369439911782444 xi_scaled(17)=0.9999968236963979 zeta(18)=0 Stats: nr=40 min=1 max=328 Safeguard: keep additional 3 states Emax=10.00345674114475 nrkept=852 nrkeptmult=2136 Total energy=-3.385040845789443 Egs=-1.024869090583891 Kept: 852 out of 3032, ratio=0.281 Memory used: 78 MB Time elapsed: 2 s ***** [NRG] Iteration 19/66 (scale 0.0016754523509807586) ***** [1] xi(18)=0.00167544969008773 xi_scaled(18)=0.9999984118360469 zeta(19)=0 Stats: nr=34 min=1 max=388 Safeguard: keep additional 2 states Emax=10.00889362701903 nrkept=800 nrkeptmult=2058 Total energy=-3.387222174467967 Egs=-1.301934177506028 Kept: 800 out of 3213, ratio=0.249 Memory used: 78 MB Time elapsed: 2 s ***** [NRG] Iteration 20/66 (scale 0.0011847237189334379) ***** [1] xi(19)=0.001184722778162086 xi_scaled(19)=0.9999992059149856 zeta(20)=0 Stats: nr=40 min=1 max=328 Safeguard: keep additional 1 states Emax=10.0214356269977 nrkept=846 nrkeptmult=2112 Total energy=-3.388472847077306 Egs=-1.055666050532504 Kept: 846 out of 3032, ratio=0.279 Memory used: 78 MB Time elapsed: 2 s ***** [NRG] Iteration 21/66 (scale 0.00083772617549037929) ***** [1] xi(20)=0.000837725842876842 xi_scaled(20)=0.9999996029567333 zeta(21)=0 Stats: nr=34 min=1 max=388 Safeguard: keep additional 4 states Emax=10.00052419372565 nrkept=803 nrkeptmult=2062 Total energy=-3.389531045584347 Egs=-1.263179470811693 Kept: 803 out of 3189, ratio=0.252 Memory used: 78 MB Time elapsed: 2 s ***** [NRG] Iteration 22/66 (scale 0.00059236185946671895) ***** [1] xi(21)=0.0005923617418699626 xi_scaled(21)=0.9999998014781768 zeta(22)=0 Stats: nr=40 min=1 max=329 Safeguard: keep additional 2 states Emax=10.01171274035219 nrkept=834 nrkeptmult=2080 Total energy=-3.390179044923576 Egs=-1.093924817868683 Kept: 834 out of 3040, ratio=0.274 Memory used: 78 MB Time elapsed: 2 s ***** [NRG] Iteration 23/66 (scale 0.00041886308774518965) ***** [1] xi(22)=0.0004188630461684378 xi_scaled(22)=0.9999999007390409 zeta(23)=0 Stats: nr=34 min=1 max=384 Emax=10.00120288190497 nrkept=802 nrkeptmult=2056 Total energy=-3.390688533949324 Egs=-1.216361719746621 Kept: 802 out of 3145, ratio=0.255 Memory used: 78 MB Time elapsed: 2 s ***** [NRG] Iteration 24/66 (scale 0.00029618092973335947) ***** [1] xi(23)=0.0002961809150337544 xi_scaled(23)=0.9999999503695086 zeta(24)=0 Stats: nr=40 min=1 max=328 Safeguard: keep additional 1 states Emax=10.00016057945628 nrkept=804 nrkeptmult=2004 Total energy=-3.391026650129712 Egs=-1.141586599420787 Kept: 804 out of 3032, ratio=0.265 Memory used: 78 MB Time elapsed: 3 s ***** [NRG] Iteration 25/66 (scale 0.00020943154387259482) ***** [1] xi(24)=0.000209431538675499 xi_scaled(24)=0.9999999751847515 zeta(25)=0 Stats: nr=34 min=1 max=372 Emax=10.00694241616499 nrkept=801 nrkeptmult=2056 Total energy=-3.391269674472468 Egs=-1.160399900904009 Kept: 801 out of 3032, ratio=0.264 Memory used: 78 MB Time elapsed: 3 s ***** [NRG] Iteration 26/66 (scale 0.00014809046486667974) ***** [1] xi(25)=0.0001480904630292288 xi_scaled(25)=0.999999987592375 zeta(26)=0 Stats: nr=40 min=1 max=329 Safeguard: keep additional 1 states Emax=10.00772102392771 nrkept=776 nrkeptmult=1948 Total energy=-3.391447446604891 Egs=-1.200429295585564 Kept: 776 out of 3028, ratio=0.256 Memory used: 78 MB Time elapsed: 3 s ***** [NRG] Iteration 27/66 (scale 0.00010471577193629741) ***** [1] xi(26)=0.0001047157712866604 xi_scaled(26)=0.9999999937961874 zeta(27)=0 Stats: nr=34 min=1 max=358 Safeguard: keep additional 3 states Emax=10.00666685631469 nrkept=797 nrkeptmult=2022 Total energy=-3.391562164154634 Egs=-1.095513575675148 Kept: 797 out of 2929, ratio=0.272 Memory used: 78 MB Time elapsed: 3 s ***** [NRG] Iteration 28/66 (scale 7.4045232433339868e-05) ***** [1] xi(27)=7.40452322036585e-05 xi_scaled(27)=0.9999999968980937 zeta(28)=0 Stats: nr=38 min=1 max=326 Safeguard: keep additional 2 states Emax=10.03368199928693 nrkept=767 nrkeptmult=1931 Total energy=-3.391656264585048 Egs=-1.27085063172638 Kept: 767 out of 3008, ratio=0.255 Memory used: 78 MB Time elapsed: 3 s ***** [NRG] Iteration 29/66 (scale 5.2357885968148706e-05) ***** [1] xi(28)=5.235788588694408e-05 xi_scaled(28)=0.9999999984490469 zeta(29)=0 Stats: nr=34 min=1 max=351 Safeguard: keep additional 1 states Emax=10.00091209030501 nrkept=774 nrkeptmult=1944 Total energy=-3.391709927329613 Egs=-1.024921911430407 Kept: 774 out of 2894, ratio=0.267 Memory used: 78 MB Time elapsed: 3 s ***** [NRG] Iteration 30/66 (scale 3.7022616216669934e-05) ***** [1] xi(29)=3.702261618795977e-05 xi_scaled(29)=0.9999999992245235 zeta(30)=0 Stats: nr=38 min=1 max=321 Safeguard: keep additional 3 states Emax=10.01116356048973 nrkept=746 nrkeptmult=1878 Total energy=-3.391759892705835 Egs=-1.349590637508887 Kept: 746 out of 2920, ratio=0.255 Memory used: 78 MB Time elapsed: 3 s ***** [NRG] Iteration 31/66 (scale 2.6178942984074353e-05) ***** [1] xi(30)=2.617894297392377e-05 xi_scaled(30)=0.9999999996122617 zeta(31)=0 Stats: nr=34 min=1 max=341 Safeguard: keep additional 1 states Emax=10.00382241104784 nrkept=750 nrkeptmult=1882 Total energy=-3.391784922165709 Egs=-0.9560913093148767 Kept: 750 out of 2817, ratio=0.266 Memory used: 78 MB Time elapsed: 3 s ***** [NRG] Iteration 32/66 (scale 1.8511308108334967e-05) ***** [1] xi(31)=1.85113081047462e-05 xi_scaled(31)=0.999999999806131 zeta(32)=0 Stats: nr=38 min=1 max=313 Safeguard: keep additional 2 states Emax=10.0075619710285 nrkept=691 nrkeptmult=1707 Total energy=-3.391811353065702 Egs=-1.427824540400884 Kept: 691 out of 2832, ratio=0.244 Memory used: 78 MB Time elapsed: 3 s ***** [NRG] Iteration 33/66 (scale 1.3089471492037176e-05) ***** [1] xi(32)=1.308947149076835e-05 xi_scaled(32)=0.9999999999030655 zeta(33)=0 Stats: nr=33 min=1 max=324 Safeguard: keep additional 3 states Emax=10.01646877632471 nrkept=709 nrkeptmult=1744 Total energy=-3.391823113182321 Egs=-0.89844090547523 Kept: 709 out of 2607, ratio=0.272 Memory used: 78 MB Time elapsed: 4 s ***** [NRG] Iteration 34/66 (scale 9.2556540541674836e-06) ***** [1] xi(33)=9.255654053718888e-06 xi_scaled(33)=0.9999999999515328 zeta(34)=0 Stats: nr=36 min=1 max=296 Emax=10.00794974451206 nrkept=633 nrkeptmult=1541 Total energy=-3.391836939665646 Egs=-1.49384184457681 Kept: 633 out of 2672, ratio=0.237 Memory used: 78 MB Time elapsed: 4 s ***** [NRG] Iteration 35/66 (scale 6.5447357460185882e-06) ***** [1] xi(34)=6.544735745859986e-06 xi_scaled(34)=0.9999999999757664 zeta(35)=0 Stats: nr=33 min=1 max=303 Safeguard: keep additional 1 states Emax=10.0223131888904 nrkept=656 nrkeptmult=1588 Total energy=-3.391842551429068 Egs=-0.8574469068623817 Kept: 656 out of 2385, ratio=0.275 Memory used: 78 MB Time elapsed: 4 s ***** [NRG] Iteration 36/66 (scale 4.6278270270837418e-06) ***** [1] xi(35)=4.627827027027667e-06 xi_scaled(35)=0.9999999999878832 zeta(36)=0 Stats: nr=36 min=1 max=276 Safeguard: keep additional 2 states Emax=10.05571088968818 nrkept=581 nrkeptmult=1383 Total energy=-3.391849681321608 Egs=-1.540656662017298 Kept: 581 out of 2466, ratio=0.236 Memory used: 78 MB Time elapsed: 4 s ***** [NRG] Iteration 37/66 (scale 3.2723678730092941e-06) ***** [1] xi(36)=3.272367872989469e-06 xi_scaled(36)=0.9999999999939416 zeta(37)=0 Stats: nr=33 min=1 max=283 Safeguard: keep additional 1 states Emax=10.03739798616041 nrkept=589 nrkeptmult=1402 Total energy=-3.39185240401636 Egs=-0.8320258777849368 Kept: 589 out of 2178, ratio=0.27 Memory used: 78 MB Time elapsed: 4 s ***** [NRG] Iteration 38/66 (scale 2.3139135135418709e-06) ***** [1] xi(37)=2.313913513534862e-06 xi_scaled(37)=0.9999999999969709 zeta(38)=0 Stats: nr=36 min=1 max=251 Emax=10.00033065189883 nrkept=523 nrkeptmult=1227 Total energy=-3.391856035591148 Egs=-1.569451393707366 Kept: 523 out of 2210, ratio=0.237 Memory used: 78 MB Time elapsed: 4 s ***** [NRG] Iteration 39/66 (scale 1.6361839365046471e-06) ***** [1] xi(38)=1.636183936502169e-06 xi_scaled(38)=0.9999999999984855 zeta(39)=0 Stats: nr=33 min=1 max=257 Emax=10.1017592032395 nrkept=567 nrkeptmult=1322 Total energy=-3.391857373450121 Egs=-0.8176702768961405 Kept: 567 out of 1958, ratio=0.29 Memory used: 78 MB Time elapsed: 4 s ***** [NRG] Iteration 40/66 (scale 1.1569567567709354e-06) ***** [1] xi(39)=1.156956756770059e-06 xi_scaled(39)=0.9999999999992428 zeta(40)=0 Stats: nr=34 min=1 max=244 Safeguard: keep additional 1 states Emax=10.04648432708483 nrkept=501 nrkeptmult=1157 Total energy=-3.391859207890689 Egs=-1.585574013116378 Kept: 501 out of 2124, ratio=0.236 Memory used: 78 MB Time elapsed: 4 s ***** [NRG] Iteration 41/66 (scale 8.1809196825232353e-07) ***** [1] xi(40)=8.180919682520138e-07 xi_scaled(40)=0.9999999999996214 zeta(41)=0 Stats: nr=33 min=1 max=245 Emax=10.55894856315149 nrkept=567 nrkeptmult=1322 Total energy=-3.391859870550727 Egs=-0.8100067764978991 Kept: 567 out of 1870, ratio=0.303 Memory used: 78 MB Time elapsed: 4 s ***** [NRG] Iteration 42/66 (scale 5.7847837838546772e-07) ***** [1] xi(41)=5.784783783853582e-07 xi_scaled(41)=0.9999999999998107 zeta(42)=0 Stats: nr=34 min=1 max=244 Safeguard: keep additional 1 states Emax=10.2589121669536 nrkept=499 nrkeptmult=1149 Total energy=-3.391860792718257 Egs=-1.594126184650721 Kept: 499 out of 2124, ratio=0.235 Memory used: 78 MB Time elapsed: 4 s ***** [NRG] Iteration 43/66 (scale 4.0904598412616176e-07) ***** [1] xi(42)=4.090459841261231e-07 xi_scaled(42)=0.9999999999999054 zeta(43)=0 Stats: nr=33 min=1 max=245 Emax=10.69509926895542 nrkept=567 nrkeptmult=1322 Total energy=-3.391861122426465 Egs=-0.8060419138080368 Kept: 567 out of 1862, ratio=0.305 Memory used: 78 MB Time elapsed: 4 s ***** [NRG] Iteration 44/66 (scale 2.8923918919273386e-07) ***** [1] xi(43)=2.892391891927202e-07 xi_scaled(43)=0.9999999999999528 zeta(44)=0 Stats: nr=34 min=1 max=244 Safeguard: keep additional 1 states Emax=10.43487626312207 nrkept=499 nrkeptmult=1149 Total energy=-3.391861584784948 Egs=-1.598533324481015 Kept: 499 out of 2124, ratio=0.235 Memory used: 78 MB Time elapsed: 4 s ***** [NRG] Iteration 45/66 (scale 2.0452299206308088e-07) ***** [1] xi(44)=2.045229920630761e-07 xi_scaled(44)=0.9999999999999765 zeta(45)=0 Stats: nr=33 min=1 max=245 Emax=10.76759483238675 nrkept=567 nrkeptmult=1322 Total energy=-3.39186174922645 Egs=-0.8040245298152623 Kept: 567 out of 1862, ratio=0.305 Memory used: 78 MB Time elapsed: 4 s ***** [NRG] Iteration 46/66 (scale 1.4461959459636693e-07) ***** [1] xi(45)=1.446195945963652e-07 xi_scaled(45)=0.9999999999999882 zeta(46)=0 Stats: nr=34 min=1 max=244 Emax=10.50505013332333 nrkept=498 nrkeptmult=1142 Total energy=-3.391861980729268 Egs=-1.600770760500126 Kept: 498 out of 2124, ratio=0.234 Memory used: 78 MB Time elapsed: 4 s ***** [NRG] Iteration 47/66 (scale 1.0226149603154044e-07) ***** [1] xi(46)=1.022614960315398e-07 xi_scaled(46)=0.9999999999999942 zeta(47)=0 Stats: nr=33 min=1 max=246 Emax=10.80470852417278 nrkept=567 nrkeptmult=1322 Total energy=-3.391862062845953 Egs=-0.8030068736903877 Kept: 567 out of 1857, ratio=0.305 Memory used: 78 MB Time elapsed: 4 s ***** [NRG] Iteration 48/66 (scale 7.2309797298183465e-08) ***** [1] xi(47)=7.230979729818325e-08 xi_scaled(47)=0.9999999999999971 zeta(48)=0 Stats: nr=34 min=1 max=244 Emax=10.51551053024767 nrkept=498 nrkeptmult=1142 Total energy=-3.391862178678879 Egs=-1.601898086764125 Kept: 498 out of 2124, ratio=0.234 Memory used: 78 MB Time elapsed: 4 s ***** [NRG] Iteration 49/66 (scale 5.113074801577022e-08) ***** [1] xi(48)=5.113074801577015e-08 xi_scaled(48)=0.9999999999999986 zeta(49)=0 Stats: nr=33 min=1 max=246 Emax=10.823348460707 nrkept=567 nrkeptmult=1322 Total energy=-3.391862219711088 Egs=-0.80249577516093 Kept: 567 out of 1857, ratio=0.305 Memory used: 78 MB Time elapsed: 4 s ***** [NRG] Iteration 50/66 (scale 3.6154898649091733e-08) ***** [1] xi(49)=3.615489864909171e-08 xi_scaled(49)=0.9999999999999992 zeta(50)=0 Stats: nr=34 min=1 max=244 Emax=10.52077860909761 nrkept=498 nrkeptmult=1142 Total energy=-3.391862277648008 Egs=-1.602463919933895 Kept: 498 out of 2124, ratio=0.234 Memory used: 78 MB Time elapsed: 5 s ***** [NRG] Iteration 51/66 (scale 2.556537400788511e-08) ***** [1] xi(50)=2.55653740078851e-08 xi_scaled(50)=0.9999999999999998 zeta(51)=0 Stats: nr=33 min=1 max=246 Emax=10.83158129410662 nrkept=567 nrkeptmult=1324 Total energy=-3.391862298157565 Egs=-0.8022396545264808 Kept: 567 out of 1857, ratio=0.305 Memory used: 78 MB Time elapsed: 5 s ***** [NRG] Iteration 52/66 (scale 1.8077449324545866e-08) ***** [1] xi(51)=1.807744932454586e-08 xi_scaled(51)=0.9999999999999998 zeta(52)=0 Stats: nr=34 min=1 max=243 Emax=10.52343296021462 nrkept=498 nrkeptmult=1142 Total energy=-3.391862327131149 Egs=-1.602747381285102 Kept: 498 out of 2124, ratio=0.234 Memory used: 78 MB Time elapsed: 5 s ***** [NRG] Iteration 53/66 (scale 1.2782687003942555e-08) ***** [1] xi(52)=1.278268700394256e-08 xi_scaled(52)=1 zeta(53)=0 Stats: nr=33 min=1 max=246 Emax=10.83461689035652 nrkept=567 nrkeptmult=1324 Total energy=-3.391862337384289 Egs=-0.8021114508944452 Kept: 567 out of 1857, ratio=0.305 Memory used: 78 MB Time elapsed: 5 s ***** [NRG] Iteration 54/66 (scale 9.0387246622729332e-09) ***** [1] xi(53)=9.038724662272933e-09 xi_scaled(53)=1 zeta(54)=0 Stats: nr=34 min=1 max=243 Emax=10.52475759840768 nrkept=498 nrkeptmult=1142 Total energy=-3.391862351872364 Egs=-1.602889248434495 Kept: 498 out of 2124, ratio=0.234 Memory used: 78 MB Time elapsed: 5 s ***** [NRG] Iteration 55/66 (scale 6.3913435019712775e-09) ***** [1] xi(54)=6.391343501971278e-09 xi_scaled(54)=1 zeta(55)=0 Stats: nr=33 min=1 max=246 Emax=10.8361322515076 nrkept=567 nrkeptmult=1324 Total energy=-3.391862356998524 Egs=-0.8020473131909995 Kept: 567 out of 1857, ratio=0.305 Memory used: 78 MB Time elapsed: 5 s ***** [NRG] Iteration 56/66 (scale 4.5193623311364666e-09) ***** [1] xi(55)=4.519362331136467e-09 xi_scaled(55)=1 zeta(56)=0 Stats: nr=34 min=1 max=243 Emax=10.52542053396821 nrkept=498 nrkeptmult=1142 Total energy=-3.391862364242882 Egs=-1.602960216162459 Kept: 498 out of 2124, ratio=0.234 Memory used: 78 MB Time elapsed: 5 s ***** [NRG] Iteration 57/66 (scale 3.1956717509856388e-09) ***** [1] xi(56)=3.195671750985639e-09 xi_scaled(56)=1 zeta(57)=0 Stats: nr=33 min=1 max=246 Emax=10.83688932435121 nrkept=567 nrkeptmult=1324 Total energy=-3.391862366805859 Egs=-0.8020152353604904 Kept: 567 out of 1857, ratio=0.305 Memory used: 78 MB Time elapsed: 5 s ***** [NRG] Iteration 58/66 (scale 2.2596811655682333e-09) ***** [1] xi(57)=2.259681165568233e-09 xi_scaled(57)=1 zeta(58)=0 Stats: nr=34 min=1 max=243 Emax=10.5257521561096 nrkept=498 nrkeptmult=1142 Total energy=-3.391862370428119 Egs=-1.602995708568846 Kept: 498 out of 2124, ratio=0.234 Memory used: 78 MB Time elapsed: 5 s ***** [NRG] Iteration 59/66 (scale 1.5978358754928194e-09) ***** [1] xi(58)=1.597835875492819e-09 xi_scaled(58)=1 zeta(59)=0 Stats: nr=33 min=1 max=246 Emax=10.83726771053969 nrkept=567 nrkeptmult=1324 Total energy=-3.391862371709581 Egs=-0.8019991941998756 Kept: 567 out of 1857, ratio=0.305 Memory used: 78 MB Time elapsed: 5 s ***** [NRG] Iteration 60/66 (scale 1.1298405827841166e-09) ***** [1] xi(59)=1.129840582784117e-09 xi_scaled(59)=1 zeta(60)=0 Stats: nr=34 min=1 max=243 Emax=10.5259180057909 nrkept=498 nrkeptmult=1142 Total energy=-3.391862373520731 Egs=-1.603013456908007 Kept: 498 out of 2124, ratio=0.234 Memory used: 78 MB Time elapsed: 5 s ***** [NRG] Iteration 61/66 (scale 7.9891793774640969e-10) ***** [1] xi(60)=7.989179377464097e-10 xi_scaled(60)=1 zeta(61)=0 Stats: nr=33 min=1 max=246 Emax=10.83745686628282 nrkept=567 nrkeptmult=1324 Total energy=-3.391862374161456 Egs=-0.8019911730582565 Kept: 567 out of 1857, ratio=0.305 Memory used: 78 MB Time elapsed: 5 s ***** [NRG] Iteration 62/66 (scale 5.6492029139205832e-10) ***** [1] xi(61)=5.649202913920583e-10 xi_scaled(61)=1 zeta(62)=0 Stats: nr=34 min=1 max=243 Emax=10.52600094028422 nrkept=498 nrkeptmult=1142 Total energy=-3.391862375067036 Egs=-1.603022331611565 Kept: 498 out of 2124, ratio=0.234 Memory used: 78 MB Time elapsed: 5 s ***** [NRG] Iteration 63/66 (scale 3.9945896887320485e-10) ***** [1] xi(62)=3.994589688732048e-10 xi_scaled(62)=1 zeta(63)=0 Stats: nr=33 min=1 max=246 Safeguard: keep additional 2 states Emax=10.83755170564612 nrkept=569 nrkeptmult=1330 Total energy=-3.391862375387397 Egs=-0.8019871623471605 Kept: 569 out of 1857, ratio=0.306 Memory used: 78 MB Time elapsed: 5 s ***** [NRG] Iteration 64/66 (scale 2.8246014569602916e-10) ***** [1] xi(63)=2.824601456960292e-10 xi_scaled(63)=1 zeta(64)=0 Stats: nr=34 min=1 max=244 Emax=10.52604240994272 nrkept=498 nrkeptmult=1142 Total energy=-3.391862375840188 Egs=-1.603026769096806 Kept: 498 out of 2132, ratio=0.234 Memory used: 78 MB Time elapsed: 5 s ***** [NRG] Iteration 65/66 (scale 1.9972948443660242e-10) ***** [1] xi(64)=1.997294844366024e-10 xi_scaled(64)=1 zeta(65)=0 Stats: nr=33 min=1 max=246 Safeguard: keep additional 8 states Emax=10.83760785709761 nrkept=575 nrkeptmult=1340 Total energy=-3.391862376000368 Egs=-0.8019851569565599 Kept: 575 out of 1857, ratio=0.31 Memory used: 78 MB Time elapsed: 5 s ***** [NRG] Iteration 66/66 (scale 1.4123007284801458e-10) ***** [1] xi(65)=1.412300728480146e-10 xi_scaled(65)=1 zeta(66)=0 Stats: nr=34 min=1 max=248 Emax=10.52604871503794 nrkept=498 nrkeptmult=1142 Total energy=-3.391862376226764 Egs=-1.603028987872789 Kept: 498 out of 2154, ratio=0.231 Memory used: 78 MB Time elapsed: 5 s ** Iteration completed. Total energy: -3.391862376226764 TKW=1.080148689973117e-05 Memory usage report =================== after diag: 79880 kB after recalc: 79880 kB after split: 79880 kB after trim: 79880 kB after trunc: 79880 kB diag_h: 79880 kB Peak usage: 79880 kB Timing report ============= All: 5 s diag: 5 s recalc f: 0 s Other: 0 s