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=. substeps=0 Ninit=0 Lambda=2 strategy=kept lastall=1 lastalloverride=0 z=0.25 discretization=Z band=manual_V bandrescale=1 betabar=1 T=1e-08 keep=10000 keepenergy=8 keepmin=200 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=300 accumulation=0 linstep=0 discard_trim=1e-16 discard_immediately=1e-16 NN1=0 NN2even=1 NN2avg=0 NNtanh=0 goodE=2 savebins=1 broaden=0 broaden_max=2 broaden_min=1e-06 broaden_min_ratio=3 broaden_ratio=1.01 dumpenergies=0 dumpannotated=0 dumpscaled=1 dumpabs=0 dumpprecision=8 dumpgroups=1 grouptol=1e-06 dumpdiagonal=0 ops=A_d self_d n_d SZd specs= specd=A_d-A_d-u self_d-A_d-u A_d-A_d-d self_d-A_d-d spect= specq= specot= reim=0 specgt= gtp=0.7 speci1t= speci2t= specchit= chitp=1 chitp_ratio=-999 dm=1 T0opt=-1 dmnrg=0 cfs=0 cfsgt=0 cfsls=0 fdm=1 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=manual preccpp=2000 checksumrules=0 globalB=0 globalBx=0 polarized=1 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: QSZ invdim=2 0 Q additive 1 SSZ additive I=(0 0) [0 (additive), 0 (additive)] singlet QNs=(0 0) mult=1 >> Using sneg version 1.250 V8 >> Number of channels, impurities, chain sites, subspaces: channels=1 impurities=1 Nmax=30 subspaces=9 Reading <||||> (e) Reading <||n_d||> (s) Reading <||A_d||> (d) Reading <||self_d||> (d) Reading <||SZd||> (s) Reading <||||> (z) length_coef_table=30 Nmax=30 Number of invariant subspaces: 9 (-2 1) 1 states 0.1538129280903337 (-1 0) 2 states 0.05084844167753422 0.2614435303399203 (-1 2) 2 states 0.09916552784149849 0.1554133741632683 (0 -1) 1 states 0.1584790439271208 (0 1) 4 states 0 0.06452835941493662 0.2100970556684467 0.2730078695685282 (0 3) 1 states 0.100765973914433 (1 0) 2 states 0.1097630360886504 0.1832913465584943 (1 2) 2 states 0.0137127431297719 0.2216285695046851 (2 1) 1 states 0.1345753387200239 Number of states (multiplicity taken into account): 16 Computing the following operators: s=[] p=[] g=[] d=[A_d self_d ] v=[] t=[] q=[] ot=[] Computing the following spectra: Before NRG iteration (N=-1) =-2.437135990431264e-06 =1.000003772626738 ***** [NRG] Iteration 1/30 (scale 1.2131570881878404) ***** [1] xi(0)=0.5693244560603187 xi_scaled(0)=0.4692916206843006 zeta(1)=0.008624389719958164 [2] xi(0)=0.5721845308761049 xi_scaled(0)=0.4716491676529776 zeta(1)=-0.004597739346966279 Stats: nr=16 min=1 max=9 Emax=1.950977807873502 nrkept=64 nrkeptmult=64 Total energy=-1.195948596341409 Egs=-0.7818938175199662 Kept: 64 out of 64, ratio=1 =-6.624365814796443e-06 =1.000010187575479 Memory used: 48 MB Time elapsed: 0 s ***** [NRG] Iteration 2/30 (scale 0.85783160370214839) ***** [1] xi(1)=0.5412410214981017 xi_scaled(1)=0.6309408736659561 zeta(2)=-0.008749899663157219 [2] xi(1)=0.5408066988610587 xi_scaled(1)=0.6304345707561908 zeta(2)=0.00439323630553469 Stats: nr=25 min=1 max=36 Emax=4.061475908824803 nrkept=256 nrkeptmult=256 Total energy=-1.755009401855708 Egs=-0.6517139297521299 Kept: 256 out of 256, ratio=1 =-1.806691639909836e-05 =1.000027523392474 Memory used: 57 MB Time elapsed: 0 s ***** [NRG] Iteration 3/30 (scale 0.6065785440939202) ***** [1] xi(2)=0.5904425846578158 xi_scaled(2)=0.9733984005975557 zeta(3)=0.0124899490977765 [2] xi(2)=0.5907412525709156 xi_scaled(2)=0.9738907818662434 zeta(3)=-0.006213491104262195 Stats: nr=36 min=1 max=100 Emax=8.030102313516574 nrkept=1019 nrkeptmult=1019 Total energy=-2.6246427668035 Egs=-1.433669841136256 Kept: 1019 out of 1024, ratio=0.995 =-4.738668440024626e-05 =1.000077877690351 Memory used: 73 MB Time elapsed: 0 s ***** [NRG] Iteration 4/30 (scale 0.4289158018510742) ***** [1] xi(3)=0.5169751794174349 xi_scaled(3)=1.205306909156348 zeta(4)=0.02591507756878054 [2] xi(3)=0.516637841469107 xi_scaled(3)=1.204520419251168 zeta(4)=-0.01283082805312386 Stats: nr=49 min=1 max=396 Emax=8.036585919439885 nrkept=2401 nrkeptmult=2401 Total energy=-3.177218960327917 Egs=-1.288309246569281 Kept: 2401 out of 4076, ratio=0.589 =-0.0001177027903642492 =1.000172466779296 Memory used: 90 MB Time elapsed: 0 s ***** [NRG] Iteration 5/30 (scale 0.3032892720469601) ***** [1] xi(4)=0.341621227978869 xi_scaled(4)=1.126387444149273 zeta(5)=0.01276297478892132 [2] xi(4)=0.3410615059841057 xi_scaled(4)=1.124541938731341 zeta(5)=-0.006318936772415927 Stats: nr=64 min=1 max=712 Emax=8.000668188083811 nrkept=2754 nrkeptmult=2754 Total energy=-3.61407706488803 Egs=-1.440400781774015 Kept: 2754 out of 9604, ratio=0.287 =-0.0002773436479334538 =1.000420780120438 Memory used: 126 MB Time elapsed: 2 s ***** [NRG] Iteration 6/30 (scale 0.2144579009255371) ***** [1] xi(5)=0.2217640163312762 xi_scaled(5)=1.034067830442283 zeta(6)=0.005336854111126845 [2] xi(5)=0.2215637648057047 xi_scaled(5)=1.033134073631705 zeta(6)=-0.002652075390376711 Stats: nr=69 min=1 max=903 Emax=8.000501134603253 nrkept=2592 nrkeptmult=2592 Total energy=-3.846933452944949 Egs=-1.085790670579072 Kept: 2592 out of 11016, ratio=0.235 =-0.0005763868534753726 =1.000788360022319 Memory used: 126 MB Time elapsed: 4 s ***** [NRG] Iteration 7/30 (scale 0.15164463602348005) ***** [1] xi(6)=0.1530018487268471 xi_scaled(6)=1.008949955230575 zeta(7)=0.002592821447369992 [2] xi(6)=0.1529384769595524 xi_scaled(6)=1.008532058699868 zeta(7)=-0.001291670807494068 Stats: nr=60 min=3 max=769 Emax=8.002414661065375 nrkept=1971 nrkeptmult=1971 Total energy=-4.042409876041996 Egs=-1.289042779375195 Kept: 1971 out of 10368, ratio=0.19 =-0.001101583059645482 =1.001415098140538 Memory used: 126 MB Time elapsed: 6 s ***** [NRG] Iteration 8/30 (scale 0.10722895046276855) ***** [1] xi(7)=0.1075851280929437 xi_scaled(7)=1.00332165547306 zeta(8)=0.001325124328335815 [2] xi(7)=0.1075623157965449 xi_scaled(7)=1.00310891165434 zeta(8)=-0.0006609444096815082 Stats: nr=69 min=1 max=677 Emax=8.00100806996077 nrkept=1942 nrkeptmult=1942 Total energy=-4.161748529324396 Egs=-1.112933146947445 Kept: 1942 out of 7884, ratio=0.246 =-0.001903794244620339 =1.00224497591507 Memory used: 126 MB Time elapsed: 7 s ***** [NRG] Iteration 9/30 (scale 0.075822318011740025) ***** [1] xi(8)=0.07593498761202688 xi_scaled(8)=1.001485968818171 zeta(9)=0.0006828556598936225 [2] xi(8)=0.07592645862306388 xi_scaled(8)=1.001373482294589 zeta(9)=-0.0003408134905320127 Stats: nr=60 min=2 max=590 Emax=8.000981123973041 nrkept=1769 nrkeptmult=1769 Total energy=-4.254837118647709 Egs=-1.227720172164867 Kept: 1769 out of 7768, ratio=0.228 =-0.003083051637787329 =1.00319449304641 Memory used: 126 MB Time elapsed: 8 s ***** [NRG] Iteration 10/30 (scale 0.053614475231384275) ***** [1] xi(9)=0.05365252349944661 xi_scaled(9)=1.000709664095342 zeta(10)=0.0003523244805971346 [2] xi(9)=0.05364932222800905 xi_scaled(9)=1.000649955007008 zeta(10)=-0.0001759077974132692 Stats: nr=67 min=1 max=607 Emax=8.000863585529707 nrkept=1674 nrkeptmult=1674 Total energy=-4.317045888851947 Egs=-1.160298033987337 Kept: 1674 out of 7076, ratio=0.237 =-0.004690950878796622 =1.004094052786269 Memory used: 126 MB Time elapsed: 8 s ***** [NRG] Iteration 11/30 (scale 0.037911159005870013) ***** [1] xi(10)=0.03792436582842799 xi_scaled(10)=1.000348362405801 zeta(11)=0.0001817446309059706 [2] xi(10)=0.03792316623041345 xi_scaled(10)=1.000316720059695 zeta(11)=-9.075948804598057e-05 Stats: nr=60 min=1 max=518 Emax=8.002182980342612 nrkept=1512 nrkeptmult=1512 Total energy=-4.361472740585493 Egs=-1.171867410507455 Kept: 1512 out of 6696, ratio=0.226 =-0.006818434361595668 =1.004539230383278 Memory used: 126 MB Time elapsed: 9 s ***** [NRG] Iteration 12/30 (scale 0.026807237615692137) ***** [1] xi(11)=0.02681188115055366 xi_scaled(11)=1.000173219446483 zeta(12)=9.369145276153559e-05 [2] xi(11)=0.02681143292452412 xi_scaled(11)=1.000156499110133 zeta(12)=-4.679322980610928e-05 Stats: nr=63 min=1 max=530 Emax=8.004697247054192 nrkept=1414 nrkeptmult=1414 Total energy=-4.393879616647965 Egs=-1.208885321458936 Kept: 1414 out of 6048, ratio=0.234 =-0.009488528532386022 =1.004244154305213 Memory used: 126 MB Time elapsed: 10 s ***** [NRG] Iteration 13/30 (scale 0.018955579502935006) ***** [1] xi(12)=0.01895722294697098 xi_scaled(12)=1.000086699751686 zeta(13)=4.826599692506305e-05 [2] xi(12)=0.01895705578890665 xi_scaled(12)=1.000077881342083 zeta(13)=-2.410780779446446e-05 Stats: nr=60 min=1 max=442 Emax=8.000673227574206 nrkept=1341 nrkeptmult=1341 Total energy=-4.415081165721352 Egs=-1.118485935505413 Kept: 1341 out of 5656, ratio=0.237 =-0.01288543665072459 =1.002778870985956 Memory used: 126 MB Time elapsed: 10 s ***** [NRG] Iteration 14/30 (scale 0.013403618807846069) ***** [1] xi(13)=0.01340420216690604 xi_scaled(13)=1.000043522504507 zeta(14)=2.484518955543801e-05 [2] xi(13)=0.01340413991458352 xi_scaled(13)=1.000038878063075 zeta(14)=-1.241028395874307e-05 Stats: nr=61 min=1 max=477 Emax=8.008007549901821 nrkept=1200 nrkeptmult=1200 Total energy=-4.431932858617696 Egs=-1.257249488957362 Kept: 1200 out of 5364, ratio=0.224 =-0.01709468781758351 =0.9999693089728137 Memory used: 126 MB Time elapsed: 11 s ***** [NRG] Iteration 15/30 (scale 0.0094777897514675032) ***** [1] xi(14)=0.009477997362884266 xi_scaled(14)=1.000021905045607 zeta(15)=1.27785791883126e-05 [2] xi(14)=0.009477974227689846 xi_scaled(14)=1.000019464055142 zeta(15)=-6.383210662114919e-06 Stats: nr=59 min=1 max=380 Emax=8.000118504232647 nrkept=1149 nrkeptmult=1149 Total energy=-4.442062920622346 Egs=-1.068821135548204 Kept: 1149 out of 4800, ratio=0.239 =-0.02230768062541691 =0.995541397774968 Memory used: 126 MB Time elapsed: 11 s ***** [NRG] Iteration 16/30 (scale 0.0067018094039230343) ***** [1] xi(15)=0.006701883098144649 xi_scaled(15)=1.000010996167926 zeta(16)=6.567578600430061e-06 [2] xi(15)=0.00670187451772618 xi_scaled(15)=1.000009715854215 zeta(16)=-3.280770319091712e-06 Stats: nr=56 min=1 max=419 Emax=8.001813932359328 nrkept=1038 nrkeptmult=1038 Total energy=-4.450797272251237 Egs=-1.303282606601402 Kept: 1038 out of 4596, ratio=0.226 =-0.02876219398054918 =0.9894767572160136 Memory used: 126 MB Time elapsed: 11 s ***** [NRG] Iteration 17/30 (scale 0.0047388948757337516) ***** [1] xi(16)=0.004738921272614506 xi_scaled(16)=1.000005570260883 zeta(17)=3.372943389809537e-06 [2] xi(16)=0.004738918096552468 xi_scaled(16)=1.000004900049342 zeta(17)=-1.684967673734687e-06 Stats: nr=58 min=1 max=339 Emax=8.000563546912984 nrkept=1020 nrkeptmult=1020 Total energy=-4.455659971551225 Egs=-1.02612516789272 Kept: 1020 out of 4152, ratio=0.246 =-0.03647448448599334 =0.9818389748837043 Memory used: 126 MB Time elapsed: 12 s ***** [NRG] Iteration 18/30 (scale 0.0033509047019615172) ***** [1] xi(17)=0.003350913917608767 xi_scaled(17)=1.000002750196759 zeta(18)=1.73100441082812e-06 [2] xi(17)=0.0033509127444893 xi_scaled(17)=1.000002400106389 zeta(18)=-8.647516514053711e-07 Stats: nr=55 min=1 max=373 Emax=8.003940861736254 nrkept=908 nrkeptmult=908 Total energy=-4.460160619113851 Egs=-1.343114162569589 Kept: 908 out of 4080, ratio=0.223 =-0.04556219111209571 =0.9726037174105812 Memory used: 126 MB Time elapsed: 12 s ***** [NRG] Iteration 19/30 (scale 0.0023694474378668758) ***** [1] xi(18)=0.002369450879951076 xi_scaled(18)=1.000001452694896 zeta(19)=8.878175727887965e-07 [2] xi(18)=0.002369450447197457 xi_scaled(18)=1.000001270055851 zeta(19)=-4.435338949224264e-07 Stats: nr=58 min=1 max=302 Emax=8.001236257787951 nrkept=916 nrkeptmult=916 Total energy=-4.462514719907614 Egs=-0.9935231126639353 Kept: 916 out of 3632, ratio=0.252 =-0.05554642996586536 =0.9622973380393717 Memory used: 126 MB Time elapsed: 12 s ***** [NRG] Iteration 20/30 (scale 0.0016754523509807586) ***** [1] xi(19)=0.001675453397051371 xi_scaled(19)=1.000000624351156 zeta(20)=4.550697493772039e-07 [2] xi(19)=0.001675453237541593 xi_scaled(19)=1.000000529147149 zeta(20)=-2.273475310990565e-07 Stats: nr=55 min=1 max=340 Emax=8.000135638134683 nrkept=794 nrkeptmult=794 Total energy=-4.464815710564374 Egs=-1.373354876617835 Kept: 794 out of 3664, ratio=0.217 =-0.06597826451225844 =0.9514493957635602 Memory used: 126 MB Time elapsed: 12 s ***** [NRG] Iteration 21/30 (scale 0.0011847237189334379) ***** [1] xi(20)=0.001184724250439761 xi_scaled(20)=1.000000448633141 zeta(21)=2.331057701659096e-07 [2] xi(20)=0.001184724191724331 xi_scaled(20)=1.0000003990727 zeta(21)=-1.164592401379889e-07 Stats: nr=56 min=1 max=270 Emax=8.001175002648276 nrkept=790 nrkeptmult=790 Total energy=-4.465966865400041 Egs=-0.9716652222541013 Kept: 790 out of 3176, ratio=0.249 =-0.07577717045246216 =0.9412047110319608 Memory used: 126 MB Time elapsed: 12 s ***** [NRG] Iteration 22/30 (scale 0.00083772617549037929) ***** [1] xi(21)=0.0008377261770810412 xi_scaled(21)=1.000000001898785 zeta(22)=1.193406381699213e-07 [2] xi(21)=0.0008377261554967741 xi_scaled(21)=0.999999976133484 zeta(22)=-5.962350381203531e-08 Stats: nr=51 min=1 max=299 Emax=8.005040179069582 nrkept=695 nrkeptmult=695 Total energy=-4.467134172283916 Egs=-1.393422956124479 Kept: 695 out of 3160, ratio=0.22 =-0.08415611585922703 =0.9324093770419061 Memory used: 126 MB Time elapsed: 13 s ***** [NRG] Iteration 23/30 (scale 0.00059236185946671895) ***** [1] xi(22)=0.0005923620180968752 xi_scaled(22)=1.000000267792657 zeta(23)=6.106434375763227e-08 [2] xi(22)=0.0005923620101726799 xi_scaled(22)=1.000000254415369 zeta(23)=-3.05087660584838e-08 Stats: nr=53 min=1 max=240 Emax=8.011798932406649 nrkept=704 nrkeptmult=704 Total energy=-4.467701996685325 Egs=-0.9585769109460497 Kept: 704 out of 2780, ratio=0.253 =-0.09049895916258395 =0.9257443769711364 Memory used: 126 MB Time elapsed: 13 s ***** [NRG] Iteration 24/30 (scale 0.00041886308774518965) ***** [1] xi(23)=0.000418862960993438 xi_scaled(23)=0.9999996973909724 zeta(24)=3.122805874918668e-08 [2] xi(23)=0.0004188629580884752 xi_scaled(23)=0.9999996904556209 zeta(24)=-1.560232699961318e-08 Stats: nr=49 min=1 max=270 Emax=8.001165856256248 nrkept=622 nrkeptmult=622 Total energy=-4.468290642827719 Egs=-1.405342603862348 Kept: 622 out of 2816, ratio=0.221 =-0.09484254843726826 =0.921163974225075 Memory used: 126 MB Time elapsed: 13 s ***** [NRG] Iteration 25/30 (scale 0.00029618092973335947) ***** [1] xi(24)=0.0002961810425688772 xi_scaled(24)=1.000000380968207 zeta(25)=1.5962782445313e-08 [2] xi(24)=0.0002961810415048385 xi_scaled(24)=1.000000377375677 zeta(25)=-7.975540133935944e-09 Stats: nr=53 min=1 max=218 Emax=8.002371052532043 nrkept=621 nrkeptmult=621 Total energy=-4.468572413175729 Egs=-0.9513453424035739 Kept: 621 out of 2488, ratio=0.25 =-0.09753678602469128 =0.9183256227153164 Memory used: 126 MB Time elapsed: 13 s ***** [NRG] Iteration 26/30 (scale 0.00020943154387259482) ***** [1] xi(25)=0.0002094313978023195 xi_scaled(25)=0.9999993025392803 zeta(26)=8.155742974209679e-09 [2] xi(25)=0.0002094313974127635 xi_scaled(25)=0.9999993006792166 zeta(26)=-4.074945996127746e-09 Stats: nr=47 min=1 max=238 Emax=8.001246186182982 nrkept=573 nrkeptmult=573 Total energy=-4.468868110261179 Egs=-1.411903288215592 Kept: 573 out of 2484, ratio=0.231 =-0.09901332096214131 =0.91676737569411 Memory used: 126 MB Time elapsed: 13 s ***** [NRG] Iteration 27/30 (scale 0.00014809046486667974) ***** [1] xi(26)=0.0001480905705438363 xi_scaled(26)=1.000000713598655 zeta(27)=4.164952525675345e-09 [2] xi(26)=0.0001480905704013458 xi_scaled(26)=1.00000071263647 zeta(27)=-2.081013513775811e-09 Stats: nr=52 min=1 max=205 Emax=8.003276845572785 nrkept=583 nrkeptmult=583 Total energy=-4.469008431753672 Egs=-0.9475390101489221 Kept: 583 out of 2292, ratio=0.254 =-0.09982342186196087 =0.9159125484041375 Memory used: 126 MB Time elapsed: 13 s ***** [NRG] Iteration 28/30 (scale 0.00010471577193629741) ***** [1] xi(27)=0.0001047156244037063 xi_scaled(27)=0.9999985911139424 zeta(28)=2.126005823009399e-09 [2] xi(27)=0.0001047156243516346 xi_scaled(27)=0.9999985906166751 zeta(28)=-1.062271550432423e-09 Stats: nr=46 min=1 max=216 Emax=8.000941220664529 nrkept=549 nrkeptmult=549 Total energy=-4.469156641527029 Egs=-1.415352917868844 Kept: 549 out of 2332, ratio=0.235 =-0.1002331381973713 =0.9154801189210631 Memory used: 126 MB Time elapsed: 13 s ***** [NRG] Iteration 29/30 (scale 7.4045232433339868e-05) ***** [1] xi(28)=7.404533760596058e-05 xi_scaled(28)=1.000001420383423 zeta(29)=1.084808557536725e-09 [2] xi(28)=7.404533758694982e-05 xi_scaled(28)=1.000001420126678 zeta(29)=-5.420385909475623e-10 Stats: nr=52 min=1 max=199 Emax=8.008278925886362 nrkept=573 nrkeptmult=573 Total energy=-4.469226657806066 Egs=-0.9455879431673786 Kept: 573 out of 2196, ratio=0.261 =-0.1004472852256358 =0.9152542023586819 Memory used: 126 MB Time elapsed: 13 s ***** [NRG] Iteration 30/30 (scale 5.2357885968148706e-05) ***** [1] xi(29)=5.235773789499322e-05 xi_scaled(29)=0.9999971719034727 zeta(30)=5.532631159419261e-10 [2] xi(29)=5.235773788805991e-05 xi_scaled(29)=0.9999971717710512 zeta(30)=-2.764487191396183e-10 Stats: nr=46 min=1 max=211 Emax=8.004426652732564 nrkept=2292 nrkeptmult=2292 Total energy=-4.469300855219831 Egs=-1.417120122255193 Kept: 2292 out of 2292, ratio=1 =-0.1005484769627669 =0.9151473756824824 Memory used: 126 MB Time elapsed: 13 s ** Iteration completed. Total energy: -4.469300855219831 TKW=0.004290687762736231 Grand canonical Z= 1 Zft (last shell)= 1 Calculating density matrices. [DM] 29 [DM] 28 [DM] 27 [DM] 26 [DM] 25 [DM] 24 [DM] 23 [DM] 22 [DM] 21 [DM] 20 [DM] 19 [DM] 18 [DM] 17 [DM] 16 [DM] 15 [DM] 14 [DM] 13 [DM] 12 [DM] 11 [DM] 10 [DM] 9 [DM] 8 [DM] 7 [DM] 6 [DM] 5 [DM] 4 [DM] 3 [DM] 2 [DM] 1 Calculating full density matrices. [FDM] 29 [FDM] 28 [FDM] 27 [FDM] 26 [FDM] 25 [FDM] 24 [FDM] 23 [FDM] 22 [FDM] 21 [FDM] 20 [FDM] 19 [FDM] 18 [FDM] 17 [FDM] 16 [FDM] 15 [FDM] 14 [FDM] 13 [FDM] 12 [FDM] 11 [FDM] 10 [FDM] 9 [FDM] 8 [FDM] 7 [FDM] 6 [FDM] 5 [FDM] 4 [FDM] 3 [FDM] 2 [FDM] 1 >> Input file for NRG Ljubljana, Rok Zitko, rok.zitko@ijs.si, 2005-2015 SYMMETRY TYPE: QSZ >> Using sneg version 1.250 V8 >> Number of channels, impurities, chain sites, subspaces: channels=1 impurities=1 Nmax=30 subspaces=9 Reading <||||> (e) Reading <||n_d||> (s) Reading <||A_d||> (d) Reading <||self_d||> (d) Reading <||SZd||> (s) Reading <||||> (z) Number of invariant subspaces: 9 (-2 1) 1 states 0.1538129280903337 (-1 0) 2 states 0.05084844167753422 0.2614435303399203 (-1 2) 2 states 0.09916552784149849 0.1554133741632683 (0 -1) 1 states 0.1584790439271208 (0 1) 4 states 0 0.06452835941493662 0.2100970556684467 0.2730078695685282 (0 3) 1 states 0.100765973914433 (1 0) 2 states 0.1097630360886504 0.1832913465584943 (1 2) 2 states 0.0137127431297719 0.2216285695046851 (2 1) 1 states 0.1345753387200239 Number of states (multiplicity taken into account): 16 Computing the following operators: s=[] p=[] g=[] d=[A_d self_d ] v=[] t=[] q=[] ot=[] Computing the following spectra: Spectrum: A_d-A_d-d FDM Spectrum: self_d-A_d-d FDM Spectrum: A_d-A_d-u FDM Spectrum: self_d-A_d-u FDM ***** [DM] Iteration 1/30 (scale 1.2131570881878404) ***** [1] xi(0)=0.5693244560603187 xi_scaled(0)=0.4692916206843006 zeta(1)=0.008624389719958164 [2] xi(0)=0.5721845308761049 xi_scaled(0)=0.4716491676529776 zeta(1)=-0.004597739346966279 Stats: nr=16 min=1 max=9 Emax=1.950977807873502 nrkept=64 nrkeptmult=64 Kept: 64 out of 64, ratio=1 Memory used: 176 MB Time elapsed: 18 s ***** [DM] Iteration 2/30 (scale 0.85783160370214839) ***** [1] xi(1)=0.5412410214981017 xi_scaled(1)=0.6309408736659561 zeta(2)=-0.008749899663157219 [2] xi(1)=0.5408066988610587 xi_scaled(1)=0.6304345707561908 zeta(2)=0.00439323630553469 Stats: nr=25 min=1 max=36 Emax=4.061475908824803 nrkept=256 nrkeptmult=256 Kept: 256 out of 256, ratio=1 Memory used: 176 MB Time elapsed: 18 s ***** [DM] Iteration 3/30 (scale 0.6065785440939202) ***** [1] xi(2)=0.5904425846578158 xi_scaled(2)=0.9733984005975557 zeta(3)=0.0124899490977765 [2] xi(2)=0.5907412525709156 xi_scaled(2)=0.9738907818662434 zeta(3)=-0.006213491104262195 Stats: nr=36 min=1 max=100 Emax=8.030102313516574 nrkept=1019 nrkeptmult=1019 Kept: 1019 out of 1024, ratio=0.995 Memory used: 176 MB Time elapsed: 18 s ***** [DM] Iteration 4/30 (scale 0.4289158018510742) ***** [1] xi(3)=0.5169751794174349 xi_scaled(3)=1.205306909156348 zeta(4)=0.02591507756878054 [2] xi(3)=0.516637841469107 xi_scaled(3)=1.204520419251168 zeta(4)=-0.01283082805312386 Stats: nr=49 min=1 max=396 Emax=8.036585919439885 nrkept=2401 nrkeptmult=2401 Kept: 2401 out of 4076, ratio=0.589 Memory used: 176 MB Time elapsed: 18 s ***** [DM] Iteration 5/30 (scale 0.3032892720469601) ***** [1] xi(4)=0.341621227978869 xi_scaled(4)=1.126387444149273 zeta(5)=0.01276297478892132 [2] xi(4)=0.3410615059841057 xi_scaled(4)=1.124541938731341 zeta(5)=-0.006318936772415927 Stats: nr=64 min=1 max=712 Emax=8.000668188083811 nrkept=2754 nrkeptmult=2754 Kept: 2754 out of 9604, ratio=0.287 Memory used: 215 MB Time elapsed: 20 s ***** [DM] Iteration 6/30 (scale 0.2144579009255371) ***** [1] xi(5)=0.2217640163312762 xi_scaled(5)=1.034067830442283 zeta(6)=0.005336854111126845 [2] xi(5)=0.2215637648057047 xi_scaled(5)=1.033134073631705 zeta(6)=-0.002652075390376711 Stats: nr=69 min=1 max=903 Emax=8.000501134603253 nrkept=2592 nrkeptmult=2592 Kept: 2592 out of 11016, ratio=0.235 Memory used: 280 MB Time elapsed: 22 s ***** [DM] Iteration 7/30 (scale 0.15164463602348005) ***** [1] xi(6)=0.1530018487268471 xi_scaled(6)=1.008949955230575 zeta(7)=0.002592821447369992 [2] xi(6)=0.1529384769595524 xi_scaled(6)=1.008532058699868 zeta(7)=-0.001291670807494068 Stats: nr=60 min=3 max=769 Emax=8.002414661065375 nrkept=1971 nrkeptmult=1971 Kept: 1971 out of 10368, ratio=0.19 Memory used: 235 MB Time elapsed: 24 s ***** [DM] Iteration 8/30 (scale 0.10722895046276855) ***** [1] xi(7)=0.1075851280929437 xi_scaled(7)=1.00332165547306 zeta(8)=0.001325124328335815 [2] xi(7)=0.1075623157965449 xi_scaled(7)=1.00310891165434 zeta(8)=-0.0006609444096815082 Stats: nr=69 min=1 max=677 Emax=8.00100806996077 nrkept=1942 nrkeptmult=1942 Kept: 1942 out of 7884, ratio=0.246 Memory used: 215 MB Time elapsed: 25 s ***** [DM] Iteration 9/30 (scale 0.075822318011740025) ***** [1] xi(8)=0.07593498761202688 xi_scaled(8)=1.001485968818171 zeta(9)=0.0006828556598936225 [2] xi(8)=0.07592645862306388 xi_scaled(8)=1.001373482294589 zeta(9)=-0.0003408134905320127 Stats: nr=60 min=2 max=590 Emax=8.000981123973041 nrkept=1769 nrkeptmult=1769 Kept: 1769 out of 7768, ratio=0.228 Memory used: 215 MB Time elapsed: 26 s ***** [DM] Iteration 10/30 (scale 0.053614475231384275) ***** [1] xi(9)=0.05365252349944661 xi_scaled(9)=1.000709664095342 zeta(10)=0.0003523244805971346 [2] xi(9)=0.05364932222800905 xi_scaled(9)=1.000649955007008 zeta(10)=-0.0001759077974132692 Stats: nr=67 min=1 max=607 Emax=8.000863585529707 nrkept=1674 nrkeptmult=1674 Kept: 1674 out of 7076, ratio=0.237 Memory used: 215 MB Time elapsed: 27 s ***** [DM] Iteration 11/30 (scale 0.037911159005870013) ***** [1] xi(10)=0.03792436582842799 xi_scaled(10)=1.000348362405801 zeta(11)=0.0001817446309059706 [2] xi(10)=0.03792316623041345 xi_scaled(10)=1.000316720059695 zeta(11)=-9.075948804598057e-05 Stats: nr=60 min=1 max=518 Emax=8.002182980342612 nrkept=1512 nrkeptmult=1512 Kept: 1512 out of 6696, ratio=0.226 Memory used: 215 MB Time elapsed: 28 s ***** [DM] Iteration 12/30 (scale 0.026807237615692137) ***** [1] xi(11)=0.02681188115055366 xi_scaled(11)=1.000173219446483 zeta(12)=9.369145276153559e-05 [2] xi(11)=0.02681143292452412 xi_scaled(11)=1.000156499110133 zeta(12)=-4.679322980610928e-05 Stats: nr=63 min=1 max=530 Emax=8.004697247054192 nrkept=1414 nrkeptmult=1414 Kept: 1414 out of 6048, ratio=0.234 Memory used: 215 MB Time elapsed: 29 s ***** [DM] Iteration 13/30 (scale 0.018955579502935006) ***** [1] xi(12)=0.01895722294697098 xi_scaled(12)=1.000086699751686 zeta(13)=4.826599692506305e-05 [2] xi(12)=0.01895705578890665 xi_scaled(12)=1.000077881342083 zeta(13)=-2.410780779446446e-05 Stats: nr=60 min=1 max=442 Emax=8.000673227574206 nrkept=1341 nrkeptmult=1341 Kept: 1341 out of 5656, ratio=0.237 Memory used: 215 MB Time elapsed: 29 s ***** [DM] Iteration 14/30 (scale 0.013403618807846069) ***** [1] xi(13)=0.01340420216690604 xi_scaled(13)=1.000043522504507 zeta(14)=2.484518955543801e-05 [2] xi(13)=0.01340413991458352 xi_scaled(13)=1.000038878063075 zeta(14)=-1.241028395874307e-05 Stats: nr=61 min=1 max=477 Emax=8.008007549901821 nrkept=1200 nrkeptmult=1200 Kept: 1200 out of 5364, ratio=0.224 Memory used: 215 MB Time elapsed: 30 s ***** [DM] Iteration 15/30 (scale 0.0094777897514675032) ***** [1] xi(14)=0.009477997362884266 xi_scaled(14)=1.000021905045607 zeta(15)=1.27785791883126e-05 [2] xi(14)=0.009477974227689846 xi_scaled(14)=1.000019464055142 zeta(15)=-6.383210662114919e-06 Stats: nr=59 min=1 max=380 Emax=8.000118504232647 nrkept=1149 nrkeptmult=1149 Kept: 1149 out of 4800, ratio=0.239 Memory used: 215 MB Time elapsed: 30 s ***** [DM] Iteration 16/30 (scale 0.0067018094039230343) ***** [1] xi(15)=0.006701883098144649 xi_scaled(15)=1.000010996167926 zeta(16)=6.567578600430061e-06 [2] xi(15)=0.00670187451772618 xi_scaled(15)=1.000009715854215 zeta(16)=-3.280770319091712e-06 Stats: nr=56 min=1 max=419 Emax=8.001813932359328 nrkept=1038 nrkeptmult=1038 Kept: 1038 out of 4596, ratio=0.226 Memory used: 215 MB Time elapsed: 31 s ***** [DM] Iteration 17/30 (scale 0.0047388948757337516) ***** [1] xi(16)=0.004738921272614506 xi_scaled(16)=1.000005570260883 zeta(17)=3.372943389809537e-06 [2] xi(16)=0.004738918096552468 xi_scaled(16)=1.000004900049342 zeta(17)=-1.684967673734687e-06 Stats: nr=58 min=1 max=339 Emax=8.000563546912984 nrkept=1020 nrkeptmult=1020 Kept: 1020 out of 4152, ratio=0.246 Memory used: 215 MB Time elapsed: 31 s ***** [DM] Iteration 18/30 (scale 0.0033509047019615172) ***** [1] xi(17)=0.003350913917608767 xi_scaled(17)=1.000002750196759 zeta(18)=1.73100441082812e-06 [2] xi(17)=0.0033509127444893 xi_scaled(17)=1.000002400106389 zeta(18)=-8.647516514053711e-07 Stats: nr=55 min=1 max=373 Emax=8.003940861736254 nrkept=908 nrkeptmult=908 Kept: 908 out of 4080, ratio=0.223 Memory used: 215 MB Time elapsed: 31 s ***** [DM] Iteration 19/30 (scale 0.0023694474378668758) ***** [1] xi(18)=0.002369450879951076 xi_scaled(18)=1.000001452694896 zeta(19)=8.878175727887965e-07 [2] xi(18)=0.002369450447197457 xi_scaled(18)=1.000001270055851 zeta(19)=-4.435338949224264e-07 Stats: nr=58 min=1 max=302 Emax=8.001236257787951 nrkept=916 nrkeptmult=916 Kept: 916 out of 3632, ratio=0.252 Memory used: 215 MB Time elapsed: 32 s ***** [DM] Iteration 20/30 (scale 0.0016754523509807586) ***** [1] xi(19)=0.001675453397051371 xi_scaled(19)=1.000000624351156 zeta(20)=4.550697493772039e-07 [2] xi(19)=0.001675453237541593 xi_scaled(19)=1.000000529147149 zeta(20)=-2.273475310990565e-07 Stats: nr=55 min=1 max=340 Emax=8.000135638134683 nrkept=794 nrkeptmult=794 Kept: 794 out of 3664, ratio=0.217 Memory used: 215 MB Time elapsed: 32 s ***** [DM] Iteration 21/30 (scale 0.0011847237189334379) ***** [1] xi(20)=0.001184724250439761 xi_scaled(20)=1.000000448633141 zeta(21)=2.331057701659096e-07 [2] xi(20)=0.001184724191724331 xi_scaled(20)=1.0000003990727 zeta(21)=-1.164592401379889e-07 Stats: nr=56 min=1 max=270 Emax=8.001175002648276 nrkept=790 nrkeptmult=790 Kept: 790 out of 3176, ratio=0.249 Memory used: 215 MB Time elapsed: 32 s ***** [DM] Iteration 22/30 (scale 0.00083772617549037929) ***** [1] xi(21)=0.0008377261770810412 xi_scaled(21)=1.000000001898785 zeta(22)=1.193406381699213e-07 [2] xi(21)=0.0008377261554967741 xi_scaled(21)=0.999999976133484 zeta(22)=-5.962350381203531e-08 Stats: nr=51 min=1 max=299 Emax=8.005040179069582 nrkept=695 nrkeptmult=695 Kept: 695 out of 3160, ratio=0.22 Memory used: 215 MB Time elapsed: 32 s ***** [DM] Iteration 23/30 (scale 0.00059236185946671895) ***** [1] xi(22)=0.0005923620180968752 xi_scaled(22)=1.000000267792657 zeta(23)=6.106434375763227e-08 [2] xi(22)=0.0005923620101726799 xi_scaled(22)=1.000000254415369 zeta(23)=-3.05087660584838e-08 Stats: nr=53 min=1 max=240 Emax=8.011798932406649 nrkept=704 nrkeptmult=704 Kept: 704 out of 2780, ratio=0.253 Memory used: 215 MB Time elapsed: 33 s ***** [DM] Iteration 24/30 (scale 0.00041886308774518965) ***** [1] xi(23)=0.000418862960993438 xi_scaled(23)=0.9999996973909724 zeta(24)=3.122805874918668e-08 [2] xi(23)=0.0004188629580884752 xi_scaled(23)=0.9999996904556209 zeta(24)=-1.560232699961318e-08 Stats: nr=49 min=1 max=270 Emax=8.001165856256248 nrkept=622 nrkeptmult=622 Kept: 622 out of 2816, ratio=0.221 Memory used: 215 MB Time elapsed: 33 s ***** [DM] Iteration 25/30 (scale 0.00029618092973335947) ***** [1] xi(24)=0.0002961810425688772 xi_scaled(24)=1.000000380968207 zeta(25)=1.5962782445313e-08 [2] xi(24)=0.0002961810415048385 xi_scaled(24)=1.000000377375677 zeta(25)=-7.975540133935944e-09 Stats: nr=53 min=1 max=218 Emax=8.002371052532043 nrkept=621 nrkeptmult=621 Kept: 621 out of 2488, ratio=0.25 Memory used: 215 MB Time elapsed: 33 s ***** [DM] Iteration 26/30 (scale 0.00020943154387259482) ***** [1] xi(25)=0.0002094313978023195 xi_scaled(25)=0.9999993025392803 zeta(26)=8.155742974209679e-09 [2] xi(25)=0.0002094313974127635 xi_scaled(25)=0.9999993006792166 zeta(26)=-4.074945996127746e-09 Stats: nr=47 min=1 max=238 Emax=8.001246186182982 nrkept=573 nrkeptmult=573 Kept: 573 out of 2484, ratio=0.231 Memory used: 215 MB Time elapsed: 33 s ***** [DM] Iteration 27/30 (scale 0.00014809046486667974) ***** [1] xi(26)=0.0001480905705438363 xi_scaled(26)=1.000000713598655 zeta(27)=4.164952525675345e-09 [2] xi(26)=0.0001480905704013458 xi_scaled(26)=1.00000071263647 zeta(27)=-2.081013513775811e-09 Stats: nr=52 min=1 max=205 Emax=8.003276845572785 nrkept=583 nrkeptmult=583 Kept: 583 out of 2292, ratio=0.254 Memory used: 215 MB Time elapsed: 33 s ***** [DM] Iteration 28/30 (scale 0.00010471577193629741) ***** [1] xi(27)=0.0001047156244037063 xi_scaled(27)=0.9999985911139424 zeta(28)=2.126005823009399e-09 [2] xi(27)=0.0001047156243516346 xi_scaled(27)=0.9999985906166751 zeta(28)=-1.062271550432423e-09 Stats: nr=46 min=1 max=216 Emax=8.000941220664529 nrkept=549 nrkeptmult=549 Kept: 549 out of 2332, ratio=0.235 Memory used: 215 MB Time elapsed: 33 s ***** [DM] Iteration 29/30 (scale 7.4045232433339868e-05) ***** [1] xi(28)=7.404533760596058e-05 xi_scaled(28)=1.000001420383423 zeta(29)=1.084808557536725e-09 [2] xi(28)=7.404533758694982e-05 xi_scaled(28)=1.000001420126678 zeta(29)=-5.420385909475623e-10 Stats: nr=52 min=1 max=199 Emax=8.008278925886362 nrkept=573 nrkeptmult=573 Kept: 573 out of 2196, ratio=0.261 Memory used: 215 MB Time elapsed: 34 s ***** [DM] Iteration 30/30 (scale 5.2357885968148706e-05) ***** [1] xi(29)=5.235773789499322e-05 xi_scaled(29)=0.9999971719034727 zeta(30)=5.532631159419261e-10 [2] xi(29)=5.235773788805991e-05 xi_scaled(29)=0.9999971717710512 zeta(30)=-2.764487191396183e-10 Stats: nr=46 min=1 max=211 Emax=8.004426652732564 nrkept=2292 nrkeptmult=2292 Kept: 2292 out of 2292, ratio=1 Memory used: 215 MB Time elapsed: 34 s ** Iteration completed. Spectrum: A_d-A_d-d FDM [A_d-A_d-d] pos=0.4422053161005091 neg=0.5577946838989336 sum= 0.9999999999994427 mu1=-0.007215987426070637 mu2=0.03262593709104276 mu3=0.0006011429574503593 mu4=0.01169559843590845 f=0.4422053161005091 b=0.4422053161005091 Spectrum: self_d-A_d-d FDM [self_d-A_d-d] pos=-0.0004869414265180554 neg=-0.00661157492806283 sum= -0.007098516354580886 mu1=0.0006324362682278866 mu2=-0.000232684725911006 mu3=3.857593190621708e-05 mu4=-8.15984701687141e-05 f=-0.0004869414265180554 b=-0.0004869414265180554 Spectrum: A_d-A_d-u FDM [A_d-A_d-u] pos=0.6419703270936554 neg=0.3580296729053711 sum= 0.9999999999990266 mu1=0.002943107158627095 mu2=0.002575368851191301 mu3=-6.126512213615396e-05 mu4=0.0007155601793680025 f=0.6419703270936554 b=0.6419703270936554 Spectrum: self_d-A_d-u FDM [self_d-A_d-u] pos=0.004507183847896963 neg=-0.001617449652928415 sum= 0.002889734194968548 mu1=0.000633074244849139 mu2=4.317892690769991e-05 mu3=5.947785409281903e-05 mu4=1.192839063751576e-05 f=0.004507183847896963 b=0.004507183847896963 Memory usage report =================== after diag: 286948 kB after recalc: 286948 kB after split: 286948 kB after trim: 286948 kB after trunc: 286948 kB diag_h: 148056 kB Peak usage: 286948 kB Timing report ============= All: 34 s DM: 1 s FDM: 3 s diag: 10 s recalc d: 5 s recalc s: 0 s spec d: 9 s Other: 3 s