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=0.0001 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_u A_d_d self_d_u self_d_d n_d SZd specs= specd=A_d_u-A_d_u self_d_u-A_d_u A_d_d-A_d_d self_d_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: U1 invdim=1 0 Q additive I=(0) [0 (additive)] singlet QNs=(0) mult=1 >> Using sneg version 1.250 V8 >> Number of channels, impurities, chain sites, subspaces: channels=1 impurities=1 Nmax=30 subspaces=5 Reading <||||> (e) Reading <||n_d||> (s) Reading <||A_d_u||> (d) Reading <||A_d_d||> (d) Reading <||self_d_u||> (d) Reading <||self_d_d||> (d) Reading <||SZd||> (s) Reading <||||> (z) length_coef_table=30 Nmax=30 Number of invariant subspaces: 5 (-2) 1 states 0.1538129280903339 (-1) 4 states 0.05084844167753435 0.0991655278414986 0.1554133741632684 0.2614435303399204 (0) 6 states 0 0.06452835941493672 0.1007659739144331 0.1584790439271209 0.210097055668447 0.2730078695685283 (1) 4 states 0.01371274312977201 0.1097630360886505 0.1832913465584944 0.2216285695046852 (2) 1 states 0.1345753387200241 Number of states (multiplicity taken into account): 16 Computing the following operators: s=[] p=[] g=[] d=[A_d_d A_d_u self_d_d self_d_u ] v=[] t=[] q=[] ot=[] Computing the following spectra: Before NRG iteration (N=-1) =-2.437135990439197e-06 =1.000003772626738 ***** [NRG] Iteration 1/30 (scale 1.2131570881878404) ***** [1] xi(0)=0.5693244560603188 xi_scaled(0)=0.4692916206843007 zeta(1)=0.008624389719958114 [2] xi(0)=0.5721845308761049 xi_scaled(0)=0.4716491676529776 zeta(1)=-0.004597739346966279 Stats: nr=7 min=1 max=20 Emax=1.950977807873503 nrkept=64 nrkeptmult=64 Total energy=-1.19594859634141 Egs=-0.7818938175199666 Kept: 64 out of 64, ratio=1 =-6.624365814773235e-06 =1.000010187575479 Memory used: 48 MB Time elapsed: 0 s ***** [NRG] Iteration 2/30 (scale 0.85783160370214839) ***** [1] xi(1)=0.5412410214981016 xi_scaled(1)=0.630940873665956 zeta(2)=-0.008749899663157021 [2] xi(1)=0.5408066988610587 xi_scaled(1)=0.6304345707561908 zeta(2)=0.004393236305534689 Stats: nr=9 min=1 max=70 Emax=4.061475908824801 nrkept=256 nrkeptmult=256 Total energy=-1.755009401855708 Egs=-0.6517139297521294 Kept: 256 out of 256, ratio=1 =-1.806691639896223e-05 =1.000027523392474 Memory used: 65 MB Time elapsed: 0 s ***** [NRG] Iteration 3/30 (scale 0.6065785440939202) ***** [1] xi(2)=0.5904425846578158 xi_scaled(2)=0.9733984005975557 zeta(3)=0.0124899490977764 [2] xi(2)=0.5907412525709156 xi_scaled(2)=0.9738907818662434 zeta(3)=-0.006213491104262193 Stats: nr=11 min=1 max=252 Emax=8.030102313516558 nrkept=1019 nrkeptmult=1019 Total energy=-2.6246427668035 Egs=-1.433669841136256 Kept: 1019 out of 1024, ratio=0.995 =-4.738668440020447e-05 =1.000077877690351 Memory used: 82 MB Time elapsed: 0 s ***** [NRG] Iteration 4/30 (scale 0.4289158018510742) ***** [1] xi(3)=0.516975179417435 xi_scaled(3)=1.205306909156348 zeta(4)=0.02591507756878028 [2] xi(3)=0.516637841469107 xi_scaled(3)=1.204520419251168 zeta(4)=-0.01283082805312386 Stats: nr=13 min=1 max=918 Emax=8.036585919439904 nrkept=2401 nrkeptmult=2401 Total energy=-3.177218960327917 Egs=-1.288309246569282 Kept: 2401 out of 4076, ratio=0.589 =-0.000117702790365151 =1.000172466779295 Memory used: 146 MB Time elapsed: 1 s ***** [NRG] Iteration 5/30 (scale 0.3032892720469601) ***** [1] xi(4)=0.341621227978869 xi_scaled(4)=1.126387444149273 zeta(5)=0.01276297478892131 [2] xi(4)=0.3410615059841057 xi_scaled(4)=1.124541938731341 zeta(5)=-0.006318936772415925 Stats: nr=15 min=1 max=2006 Emax=8.000668188083795 nrkept=2754 nrkeptmult=2754 Total energy=-3.614077064888028 Egs=-1.440400781774009 Kept: 2754 out of 9604, ratio=0.287 =-0.0002773436479356973 =1.000420780120434 Memory used: 198 MB Time elapsed: 13 s ***** [NRG] Iteration 6/30 (scale 0.2144579009255371) ***** [1] xi(5)=0.2217640163312762 xi_scaled(5)=1.034067830442283 zeta(6)=0.005336854111126865 [2] xi(5)=0.2215637648057047 xi_scaled(5)=1.033134073631705 zeta(6)=-0.002652075390376713 Stats: nr=13 min=8 max=2277 Emax=8.000501134603272 nrkept=2592 nrkeptmult=2592 Total energy=-3.846933452944952 Egs=-1.085790670579097 Kept: 2592 out of 11016, ratio=0.235 =-0.0005763868534813695 =1.000788360022314 Memory used: 193 MB Time elapsed: 29 s ***** [NRG] Iteration 7/30 (scale 0.15164463602348005) ***** [1] xi(6)=0.153001848726847 xi_scaled(6)=1.008949955230575 zeta(7)=0.002592821447370031 [2] xi(6)=0.1529384769595524 xi_scaled(6)=1.008532058699868 zeta(7)=-0.001291670807494069 Stats: nr=13 min=6 max=2152 Emax=8.002414661065407 nrkept=1971 nrkeptmult=1971 Total energy=-4.042409876041997 Egs=-1.289042779375187 Kept: 1971 out of 10368, ratio=0.19 =-0.001101583059656158 =1.001415098140525 Memory used: 216 MB Time elapsed: 41 s ***** [NRG] Iteration 8/30 (scale 0.10722895046276855) ***** [1] xi(7)=0.1075851280929437 xi_scaled(7)=1.00332165547306 zeta(8)=0.001325124328335862 [2] xi(7)=0.1075623157965449 xi_scaled(7)=1.00310891165434 zeta(8)=-0.0006609444096815024 Stats: nr=13 min=5 max=1656 Emax=8.001008069960726 nrkept=1942 nrkeptmult=1942 Total energy=-4.161748529324396 Egs=-1.112933146947428 Kept: 1942 out of 7884, ratio=0.246 =-0.001903794244638598 =1.002244975915041 Memory used: 248 MB Time elapsed: 48 s ***** [NRG] Iteration 9/30 (scale 0.075822318011740025) ***** [1] xi(8)=0.0759349876120269 xi_scaled(8)=1.001485968818171 zeta(9)=0.0006828556598935915 [2] xi(8)=0.07592645862306388 xi_scaled(8)=1.001373482294589 zeta(9)=-0.0003408134905320257 Stats: nr=13 min=4 max=1633 Emax=8.000981123973217 nrkept=1769 nrkeptmult=1769 Total energy=-4.254837118647712 Egs=-1.227720172164916 Kept: 1769 out of 7768, ratio=0.228 =-0.003083051637816752 =1.003194493046362 Memory used: 241 MB Time elapsed: 55 s ***** [NRG] Iteration 10/30 (scale 0.053614475231384275) ***** [1] xi(9)=0.0536525234994466 xi_scaled(9)=1.000709664095342 zeta(10)=0.0003523244805970986 [2] xi(9)=0.05364932222800906 xi_scaled(9)=1.000649955007009 zeta(10)=-0.0001759077974132765 Stats: nr=13 min=4 max=1490 Emax=8.000863585529714 nrkept=1674 nrkeptmult=1674 Total energy=-4.317045888851946 Egs=-1.160298033987262 Kept: 1674 out of 7076, ratio=0.237 =-0.004690950878842149 =1.004094052786189 Memory used: 241 MB Time elapsed: 60 s ***** [NRG] Iteration 11/30 (scale 0.037911159005870013) ***** [1] xi(10)=0.03792436582842798 xi_scaled(10)=1.0003483624058 zeta(11)=0.0001817446309059704 [2] xi(10)=0.03792316623041346 xi_scaled(10)=1.000316720059695 zeta(11)=-9.075948804598574e-05 Stats: nr=13 min=3 max=1433 Emax=8.002182980342596 nrkept=1512 nrkeptmult=1512 Total energy=-4.361472740585493 Egs=-1.171867410507506 Kept: 1512 out of 6696, ratio=0.226 =-0.006818434361663216 =1.004539230383161 Memory used: 241 MB Time elapsed: 64 s ***** [NRG] Iteration 12/30 (scale 0.026807237615692137) ***** [1] xi(11)=0.02681188115055366 xi_scaled(11)=1.000173219446483 zeta(12)=9.369145276154121e-05 [2] xi(11)=0.02681143292452411 xi_scaled(11)=1.000156499110133 zeta(12)=-4.679322980611496e-05 Stats: nr=13 min=1 max=1295 Emax=8.004697247054153 nrkept=1414 nrkeptmult=1414 Total energy=-4.393879616647962 Egs=-1.208885321458826 Kept: 1414 out of 6048, ratio=0.234 =-0.009488528532485442 =1.00424415430506 Memory used: 241 MB Time elapsed: 68 s ***** [NRG] Iteration 13/30 (scale 0.018955579502935006) ***** [1] xi(12)=0.01895722294697098 xi_scaled(12)=1.000086699751686 zeta(13)=4.826599692506726e-05 [2] xi(12)=0.01895705578890665 xi_scaled(12)=1.000077881342083 zeta(13)=-2.410780779445779e-05 Stats: nr=13 min=2 max=1226 Emax=8.000673227574833 nrkept=1341 nrkeptmult=1341 Total energy=-4.415081165721354 Egs=-1.11848593550562 Kept: 1341 out of 5656, ratio=0.237 =-0.01288543665086647 =1.002778870985748 Memory used: 241 MB Time elapsed: 70 s ***** [NRG] Iteration 14/30 (scale 0.013403618807846069) ***** [1] xi(13)=0.01340420216690604 xi_scaled(13)=1.000043522504507 zeta(14)=2.48451895554388e-05 [2] xi(13)=0.01340413991458352 xi_scaled(13)=1.000038878063075 zeta(14)=-1.241028395873487e-05 Stats: nr=13 min=1 max=1157 Emax=8.008007549901528 nrkept=1200 nrkeptmult=1200 Total energy=-4.431932858617693 Egs=-1.257249488957044 Kept: 1200 out of 5364, ratio=0.224 =-0.01709468781778335 =0.9999693089725396 Memory used: 241 MB Time elapsed: 73 s ***** [NRG] Iteration 15/30 (scale 0.0094777897514675032) ***** [1] xi(14)=0.009477997362884266 xi_scaled(14)=1.000021905045607 zeta(15)=1.277857918831299e-05 [2] xi(14)=0.009477974227689848 xi_scaled(14)=1.000019464055142 zeta(15)=-6.383210662115507e-06 Stats: nr=13 min=1 max=1052 Emax=8.000118504233512 nrkept=1149 nrkeptmult=1149 Total energy=-4.442062920622348 Egs=-1.068821135548687 Kept: 1149 out of 4800, ratio=0.239 =-0.02230768062569195 =0.9955413977746094 Memory used: 241 MB Time elapsed: 75 s ***** [NRG] Iteration 16/30 (scale 0.0067018094039230343) ***** [1] xi(15)=0.006701883098144649 xi_scaled(15)=1.000010996167926 zeta(16)=6.567578600429964e-06 [2] xi(15)=0.006701874517726181 xi_scaled(15)=1.000009715854215 zeta(16)=-3.280770319095042e-06 Stats: nr=13 min=1 max=1015 Emax=8.001813932360502 nrkept=1038 nrkeptmult=1038 Total energy=-4.450797272251235 Egs=-1.303282606600723 Kept: 1038 out of 4596, ratio=0.226 =-0.02876219398092035 =0.9894767572155488 Memory used: 241 MB Time elapsed: 76 s ***** [NRG] Iteration 17/30 (scale 0.0047388948757337516) ***** [1] xi(16)=0.004738921272614506 xi_scaled(16)=1.000005570260883 zeta(17)=3.372943389811932e-06 [2] xi(16)=0.004738918096552468 xi_scaled(16)=1.000004900049342 zeta(17)=-1.684967673732457e-06 Stats: nr=13 min=1 max=921 Emax=8.000563546913675 nrkept=1020 nrkeptmult=1020 Total energy=-4.455659971551227 Egs=-1.026125167893572 Kept: 1020 out of 4152, ratio=0.246 =-0.0364744844864829 =0.981838974883108 Memory used: 241 MB Time elapsed: 77 s ***** [NRG] Iteration 18/30 (scale 0.0033509047019615172) ***** [1] xi(17)=0.003350913917608767 xi_scaled(17)=1.000002750196759 zeta(18)=1.731004410828934e-06 [2] xi(17)=0.003350912744489299 xi_scaled(17)=1.000002400106389 zeta(18)=-8.64751651403447e-07 Stats: nr=13 min=1 max=900 Emax=8.003940861735289 nrkept=908 nrkeptmult=908 Total energy=-4.460160619113848 Egs=-1.343114162568456 Kept: 908 out of 4080, ratio=0.223 =-0.04556219111272352 =0.9726037174098341 Memory used: 241 MB Time elapsed: 79 s ***** [NRG] Iteration 19/30 (scale 0.0023694474378668758) ***** [1] xi(18)=0.002369450879951076 xi_scaled(18)=1.000001452694897 zeta(19)=8.878175727893775e-07 [2] xi(18)=0.002369450447197457 xi_scaled(18)=1.000001270055851 zeta(19)=-4.435338949230273e-07 Stats: nr=13 min=1 max=811 Emax=8.001236257788715 nrkept=916 nrkeptmult=916 Total energy=-4.462514719907614 Egs=-0.9935231126651168 Kept: 916 out of 3632, ratio=0.252 =-0.05554642996664188 =0.9622973380384608 Memory used: 241 MB Time elapsed: 80 s ***** [NRG] Iteration 20/30 (scale 0.0016754523509807586) ***** [1] xi(19)=0.001675453397051371 xi_scaled(19)=1.000000624351156 zeta(20)=4.550697493780365e-07 [2] xi(19)=0.001675453237541592 xi_scaled(19)=1.000000529147148 zeta(20)=-2.273475311002399e-07 Stats: nr=13 min=1 max=815 Emax=8.000135638133385 nrkept=794 nrkeptmult=794 Total energy=-4.464815710564372 Egs=-1.373354876616322 Kept: 794 out of 3664, ratio=0.217 =-0.0659782645131826 =0.9514493957624881 Memory used: 241 MB Time elapsed: 81 s ***** [NRG] Iteration 21/30 (scale 0.0011847237189334379) ***** [1] xi(20)=0.001184724250439761 xi_scaled(20)=1.000000448633141 zeta(21)=2.331057701651716e-07 [2] xi(20)=0.001184724191724332 xi_scaled(20)=1.0000003990727 zeta(21)=-1.164592401366326e-07 Stats: nr=12 min=1 max=713 Emax=8.001175002653371 nrkept=790 nrkeptmult=790 Total energy=-4.46596686540004 Egs=-0.9716652222555771 Kept: 790 out of 3176, ratio=0.249 =-0.07577717045351394 =0.9412047110307507 Memory used: 241 MB Time elapsed: 81 s ***** [NRG] Iteration 22/30 (scale 0.00083772617549037929) ***** [1] xi(21)=0.0008377261770810415 xi_scaled(21)=1.000000001898785 zeta(22)=1.193406381689995e-07 [2] xi(21)=0.0008377261554967748 xi_scaled(21)=0.9999999761334848 zeta(22)=-5.962350381049745e-08 Stats: nr=12 min=1 max=710 Emax=8.005040179072768 nrkept=695 nrkeptmult=695 Total energy=-4.467134172283914 Egs=-1.393422956122683 Kept: 695 out of 3160, ratio=0.22 =-0.0841561158603748 =0.9324093770405868 Memory used: 241 MB Time elapsed: 82 s ***** [NRG] Iteration 23/30 (scale 0.00059236185946671895) ***** [1] xi(22)=0.0005923620180968753 xi_scaled(22)=1.000000267792657 zeta(23)=6.106434375753788e-08 [2] xi(22)=0.0005923620101726802 xi_scaled(22)=1.000000254415369 zeta(23)=-3.050876605885525e-08 Stats: nr=11 min=5 max=626 Emax=8.011798932407094 nrkept=704 nrkeptmult=704 Total energy=-4.467701996685324 Egs=-0.9585769109476849 Kept: 704 out of 2780, ratio=0.253 =-0.09049895916379255 =0.925744376969753 Memory used: 241 MB Time elapsed: 82 s ***** [NRG] Iteration 24/30 (scale 0.00041886308774518965) ***** [1] xi(23)=0.0004188629609934379 xi_scaled(23)=0.9999996973909723 zeta(24)=3.122805874913399e-08 [2] xi(23)=0.0004188629580884749 xi_scaled(23)=0.9999996904556202 zeta(24)=-1.56023269997933e-08 Stats: nr=12 min=1 max=635 Emax=8.001165856257785 nrkept=622 nrkeptmult=622 Total energy=-4.468290642827717 Egs=-1.405342603860335 Kept: 622 out of 2816, ratio=0.221 =-0.09484254843850937 =0.9211639742236502 Memory used: 241 MB Time elapsed: 83 s ***** [NRG] Iteration 25/30 (scale 0.00029618092973335947) ***** [1] xi(24)=0.0002961810425688772 xi_scaled(24)=1.000000380968207 zeta(25)=1.596278244545441e-08 [2] xi(24)=0.0002961810415048384 xi_scaled(24)=1.000000377375677 zeta(25)=-7.9755401345417e-09 Stats: nr=11 min=5 max=560 Emax=8.002371052533011 nrkept=621 nrkeptmult=621 Total energy=-4.468572413175728 Egs=-0.9513453424053615 Kept: 621 out of 2488, ratio=0.25 =-0.09753678602594711 =0.9183256227138763 Memory used: 241 MB Time elapsed: 83 s ***** [NRG] Iteration 26/30 (scale 0.00020943154387259482) ***** [1] xi(25)=0.0002094313978023193 xi_scaled(25)=0.9999993025392792 zeta(26)=8.155742973490887e-09 [2] xi(25)=0.0002094313974127635 xi_scaled(25)=0.9999993006792166 zeta(26)=-4.074945995788806e-09 Stats: nr=12 min=1 max=566 Emax=8.001246186185593 nrkept=573 nrkeptmult=573 Total energy=-4.468868110261178 Egs=-1.411903288213455 Kept: 573 out of 2484, ratio=0.231 =-0.09901332096340336 =0.9167673756926612 Memory used: 241 MB Time elapsed: 83 s ***** [NRG] Iteration 27/30 (scale 0.00014809046486667974) ***** [1] xi(26)=0.0001480905705438363 xi_scaled(26)=1.000000713598655 zeta(27)=4.164952526438176e-09 [2] xi(26)=0.0001480905704013459 xi_scaled(26)=1.00000071263647 zeta(27)=-2.081013514385011e-09 Stats: nr=11 min=5 max=516 Emax=8.003276845573295 nrkept=583 nrkeptmult=583 Total energy=-4.46900843175367 Egs=-0.9475390101507485 Kept: 583 out of 2292, ratio=0.254 =-0.09982342186322532 =0.9159125484026858 Memory used: 241 MB Time elapsed: 84 s ***** [NRG] Iteration 28/30 (scale 0.00010471577193629741) ***** [1] xi(27)=0.0001047156244037065 xi_scaled(27)=0.9999985911139441 zeta(28)=2.126005822968022e-09 [2] xi(27)=0.0001047156243516344 xi_scaled(27)=0.9999985906166731 zeta(28)=-1.062271550114122e-09 Stats: nr=11 min=4 max=529 Emax=8.00094122066022 nrkept=549 nrkeptmult=549 Total energy=-4.469156641527026 Egs=-1.415352917866653 Kept: 549 out of 2332, ratio=0.235 =-0.1002331381986366 =0.915480118919609 Memory used: 241 MB Time elapsed: 84 s ***** [NRG] Iteration 29/30 (scale 7.4045232433339868e-05) ***** [1] xi(28)=7.404533760596066e-05 xi_scaled(28)=1.000001420383424 zeta(29)=1.084808557543781e-09 [2] xi(28)=7.40453375869497e-05 xi_scaled(28)=1.000001420126676 zeta(29)=-5.420385910128719e-10 Stats: nr=11 min=5 max=492 Emax=8.00827892588466 nrkept=573 nrkeptmult=573 Total energy=-4.469226657806064 Egs=-0.9455879431692539 Kept: 573 out of 2196, ratio=0.261 =-0.1004472852269019 =0.9152542023572289 Memory used: 241 MB Time elapsed: 84 s ***** [NRG] Iteration 30/30 (scale 5.2357885968148706e-05) ***** [1] xi(29)=5.235773789499328e-05 xi_scaled(29)=0.9999971719034737 zeta(30)=5.532631158813749e-10 [2] xi(29)=5.235773788805991e-05 xi_scaled(29)=0.9999971717710511 zeta(30)=-2.76448719126251e-10 Stats: nr=11 min=4 max=518 Emax=8.004426652732739 nrkept=2292 nrkeptmult=2292 Total energy=-4.469300855219828 Egs=-1.417120122252967 Kept: 2292 out of 2292, ratio=1 =-0.100548476964033 =0.9151473756810244 Memory used: 241 MB Time elapsed: 85 s ** Iteration completed. Total energy: -4.469300855219828 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: U1 >> Using sneg version 1.250 V8 >> Number of channels, impurities, chain sites, subspaces: channels=1 impurities=1 Nmax=30 subspaces=5 Reading <||||> (e) Reading <||n_d||> (s) Reading <||A_d_u||> (d) Reading <||A_d_d||> (d) Reading <||self_d_u||> (d) Reading <||self_d_d||> (d) Reading <||SZd||> (s) Reading <||||> (z) Number of invariant subspaces: 5 (-2) 1 states 0.1538129280903339 (-1) 4 states 0.05084844167753435 0.0991655278414986 0.1554133741632684 0.2614435303399204 (0) 6 states 0 0.06452835941493672 0.1007659739144331 0.1584790439271209 0.210097055668447 0.2730078695685283 (1) 4 states 0.01371274312977201 0.1097630360886505 0.1832913465584944 0.2216285695046852 (2) 1 states 0.1345753387200241 Number of states (multiplicity taken into account): 16 Computing the following operators: s=[] p=[] g=[] d=[A_d_d A_d_u self_d_d self_d_u ] v=[] t=[] q=[] ot=[] Computing the following spectra: Spectrum: A_d_d-A_d_d FDM Spectrum: A_d_u-A_d_u FDM Spectrum: self_d_d-A_d_d FDM Spectrum: self_d_u-A_d_u FDM ***** [DM] Iteration 1/30 (scale 1.2131570881878404) ***** [1] xi(0)=0.5693244560603188 xi_scaled(0)=0.4692916206843007 zeta(1)=0.008624389719958114 [2] xi(0)=0.5721845308761049 xi_scaled(0)=0.4716491676529776 zeta(1)=-0.004597739346966279 Stats: nr=7 min=1 max=20 Emax=1.950977807873503 nrkept=64 nrkeptmult=64 Kept: 64 out of 64, ratio=1 Memory used: 215 MB Time elapsed: 103 s ***** [DM] Iteration 2/30 (scale 0.85783160370214839) ***** [1] xi(1)=0.5412410214981016 xi_scaled(1)=0.630940873665956 zeta(2)=-0.008749899663157021 [2] xi(1)=0.5408066988610587 xi_scaled(1)=0.6304345707561908 zeta(2)=0.004393236305534689 Stats: nr=9 min=1 max=70 Emax=4.061475908824801 nrkept=256 nrkeptmult=256 Kept: 256 out of 256, ratio=1 Memory used: 215 MB Time elapsed: 103 s ***** [DM] Iteration 3/30 (scale 0.6065785440939202) ***** [1] xi(2)=0.5904425846578158 xi_scaled(2)=0.9733984005975557 zeta(3)=0.0124899490977764 [2] xi(2)=0.5907412525709156 xi_scaled(2)=0.9738907818662434 zeta(3)=-0.006213491104262193 Stats: nr=11 min=1 max=252 Emax=8.030102313516558 nrkept=1019 nrkeptmult=1019 Kept: 1019 out of 1024, ratio=0.995 Memory used: 215 MB Time elapsed: 103 s ***** [DM] Iteration 4/30 (scale 0.4289158018510742) ***** [1] xi(3)=0.516975179417435 xi_scaled(3)=1.205306909156348 zeta(4)=0.02591507756878028 [2] xi(3)=0.516637841469107 xi_scaled(3)=1.204520419251168 zeta(4)=-0.01283082805312386 Stats: nr=13 min=1 max=918 Emax=8.036585919439904 nrkept=2401 nrkeptmult=2401 Kept: 2401 out of 4076, ratio=0.589 Memory used: 215 MB Time elapsed: 104 s ***** [DM] Iteration 5/30 (scale 0.3032892720469601) ***** [1] xi(4)=0.341621227978869 xi_scaled(4)=1.126387444149273 zeta(5)=0.01276297478892131 [2] xi(4)=0.3410615059841057 xi_scaled(4)=1.124541938731341 zeta(5)=-0.006318936772415925 Stats: nr=15 min=1 max=2006 Emax=8.000668188083795 nrkept=2754 nrkeptmult=2754 Kept: 2754 out of 9604, ratio=0.287 Memory used: 539 MB Time elapsed: 117 s ***** [DM] Iteration 6/30 (scale 0.2144579009255371) ***** [1] xi(5)=0.2217640163312762 xi_scaled(5)=1.034067830442283 zeta(6)=0.005336854111126865 [2] xi(5)=0.2215637648057047 xi_scaled(5)=1.033134073631705 zeta(6)=-0.002652075390376713 Stats: nr=13 min=8 max=2277 Emax=8.000501134603272 nrkept=2592 nrkeptmult=2592 Kept: 2592 out of 11016, ratio=0.235 Memory used: 339 MB Time elapsed: 133 s ***** [DM] Iteration 7/30 (scale 0.15164463602348005) ***** [1] xi(6)=0.153001848726847 xi_scaled(6)=1.008949955230575 zeta(7)=0.002592821447370031 [2] xi(6)=0.1529384769595524 xi_scaled(6)=1.008532058699868 zeta(7)=-0.001291670807494069 Stats: nr=13 min=6 max=2152 Emax=8.002414661065407 nrkept=1971 nrkeptmult=1971 Kept: 1971 out of 10368, ratio=0.19 Memory used: 710 MB Time elapsed: 145 s ***** [DM] Iteration 8/30 (scale 0.10722895046276855) ***** [1] xi(7)=0.1075851280929437 xi_scaled(7)=1.00332165547306 zeta(8)=0.001325124328335862 [2] xi(7)=0.1075623157965449 xi_scaled(7)=1.00310891165434 zeta(8)=-0.0006609444096815024 Stats: nr=13 min=5 max=1656 Emax=8.001008069960726 nrkept=1942 nrkeptmult=1942 Kept: 1942 out of 7884, ratio=0.246 Memory used: 422 MB Time elapsed: 151 s ***** [DM] Iteration 9/30 (scale 0.075822318011740025) ***** [1] xi(8)=0.0759349876120269 xi_scaled(8)=1.001485968818171 zeta(9)=0.0006828556598935915 [2] xi(8)=0.07592645862306388 xi_scaled(8)=1.001373482294589 zeta(9)=-0.0003408134905320257 Stats: nr=13 min=4 max=1633 Emax=8.000981123973217 nrkept=1769 nrkeptmult=1769 Kept: 1769 out of 7768, ratio=0.228 Memory used: 422 MB Time elapsed: 157 s ***** [DM] Iteration 10/30 (scale 0.053614475231384275) ***** [1] xi(9)=0.0536525234994466 xi_scaled(9)=1.000709664095342 zeta(10)=0.0003523244805970986 [2] xi(9)=0.05364932222800906 xi_scaled(9)=1.000649955007009 zeta(10)=-0.0001759077974132765 Stats: nr=13 min=4 max=1490 Emax=8.000863585529714 nrkept=1674 nrkeptmult=1674 Kept: 1674 out of 7076, ratio=0.237 Memory used: 452 MB Time elapsed: 161 s ***** [DM] Iteration 11/30 (scale 0.037911159005870013) ***** [1] xi(10)=0.03792436582842798 xi_scaled(10)=1.0003483624058 zeta(11)=0.0001817446309059704 [2] xi(10)=0.03792316623041346 xi_scaled(10)=1.000316720059695 zeta(11)=-9.075948804598574e-05 Stats: nr=13 min=3 max=1433 Emax=8.002182980342596 nrkept=1512 nrkeptmult=1512 Kept: 1512 out of 6696, ratio=0.226 Memory used: 452 MB Time elapsed: 165 s ***** [DM] Iteration 12/30 (scale 0.026807237615692137) ***** [1] xi(11)=0.02681188115055366 xi_scaled(11)=1.000173219446483 zeta(12)=9.369145276154121e-05 [2] xi(11)=0.02681143292452411 xi_scaled(11)=1.000156499110133 zeta(12)=-4.679322980611496e-05 Stats: nr=13 min=1 max=1295 Emax=8.004697247054153 nrkept=1414 nrkeptmult=1414 Kept: 1414 out of 6048, ratio=0.234 Memory used: 452 MB Time elapsed: 169 s ***** [DM] Iteration 13/30 (scale 0.018955579502935006) ***** [1] xi(12)=0.01895722294697098 xi_scaled(12)=1.000086699751686 zeta(13)=4.826599692506726e-05 [2] xi(12)=0.01895705578890665 xi_scaled(12)=1.000077881342083 zeta(13)=-2.410780779445779e-05 Stats: nr=13 min=2 max=1226 Emax=8.000673227574833 nrkept=1341 nrkeptmult=1341 Kept: 1341 out of 5656, ratio=0.237 Memory used: 452 MB Time elapsed: 172 s ***** [DM] Iteration 14/30 (scale 0.013403618807846069) ***** [1] xi(13)=0.01340420216690604 xi_scaled(13)=1.000043522504507 zeta(14)=2.48451895554388e-05 [2] xi(13)=0.01340413991458352 xi_scaled(13)=1.000038878063075 zeta(14)=-1.241028395873487e-05 Stats: nr=13 min=1 max=1157 Emax=8.008007549901528 nrkept=1200 nrkeptmult=1200 Kept: 1200 out of 5364, ratio=0.224 Memory used: 452 MB Time elapsed: 174 s ***** [DM] Iteration 15/30 (scale 0.0094777897514675032) ***** [1] xi(14)=0.009477997362884266 xi_scaled(14)=1.000021905045607 zeta(15)=1.277857918831299e-05 [2] xi(14)=0.009477974227689848 xi_scaled(14)=1.000019464055142 zeta(15)=-6.383210662115507e-06 Stats: nr=13 min=1 max=1052 Emax=8.000118504233512 nrkept=1149 nrkeptmult=1149 Kept: 1149 out of 4800, ratio=0.239 Memory used: 452 MB Time elapsed: 176 s ***** [DM] Iteration 16/30 (scale 0.0067018094039230343) ***** [1] xi(15)=0.006701883098144649 xi_scaled(15)=1.000010996167926 zeta(16)=6.567578600429964e-06 [2] xi(15)=0.006701874517726181 xi_scaled(15)=1.000009715854215 zeta(16)=-3.280770319095042e-06 Stats: nr=13 min=1 max=1015 Emax=8.001813932360502 nrkept=1038 nrkeptmult=1038 Kept: 1038 out of 4596, ratio=0.226 Memory used: 452 MB Time elapsed: 178 s ***** [DM] Iteration 17/30 (scale 0.0047388948757337516) ***** [1] xi(16)=0.004738921272614506 xi_scaled(16)=1.000005570260883 zeta(17)=3.372943389811932e-06 [2] xi(16)=0.004738918096552468 xi_scaled(16)=1.000004900049342 zeta(17)=-1.684967673732457e-06 Stats: nr=13 min=1 max=921 Emax=8.000563546913675 nrkept=1020 nrkeptmult=1020 Kept: 1020 out of 4152, ratio=0.246 Memory used: 452 MB Time elapsed: 180 s ***** [DM] Iteration 18/30 (scale 0.0033509047019615172) ***** [1] xi(17)=0.003350913917608767 xi_scaled(17)=1.000002750196759 zeta(18)=1.731004410828934e-06 [2] xi(17)=0.003350912744489299 xi_scaled(17)=1.000002400106389 zeta(18)=-8.64751651403447e-07 Stats: nr=13 min=1 max=900 Emax=8.003940861735289 nrkept=908 nrkeptmult=908 Kept: 908 out of 4080, ratio=0.223 Memory used: 452 MB Time elapsed: 181 s ***** [DM] Iteration 19/30 (scale 0.0023694474378668758) ***** [1] xi(18)=0.002369450879951076 xi_scaled(18)=1.000001452694897 zeta(19)=8.878175727893775e-07 [2] xi(18)=0.002369450447197457 xi_scaled(18)=1.000001270055851 zeta(19)=-4.435338949230273e-07 Stats: nr=13 min=1 max=811 Emax=8.001236257788715 nrkept=916 nrkeptmult=916 Kept: 916 out of 3632, ratio=0.252 Memory used: 452 MB Time elapsed: 182 s ***** [DM] Iteration 20/30 (scale 0.0016754523509807586) ***** [1] xi(19)=0.001675453397051371 xi_scaled(19)=1.000000624351156 zeta(20)=4.550697493780365e-07 [2] xi(19)=0.001675453237541592 xi_scaled(19)=1.000000529147148 zeta(20)=-2.273475311002399e-07 Stats: nr=13 min=1 max=815 Emax=8.000135638133385 nrkept=794 nrkeptmult=794 Kept: 794 out of 3664, ratio=0.217 Memory used: 452 MB Time elapsed: 183 s ***** [DM] Iteration 21/30 (scale 0.0011847237189334379) ***** [1] xi(20)=0.001184724250439761 xi_scaled(20)=1.000000448633141 zeta(21)=2.331057701651716e-07 [2] xi(20)=0.001184724191724332 xi_scaled(20)=1.0000003990727 zeta(21)=-1.164592401366326e-07 Stats: nr=12 min=1 max=713 Emax=8.001175002653371 nrkept=790 nrkeptmult=790 Kept: 790 out of 3176, ratio=0.249 Memory used: 452 MB Time elapsed: 184 s ***** [DM] Iteration 22/30 (scale 0.00083772617549037929) ***** [1] xi(21)=0.0008377261770810415 xi_scaled(21)=1.000000001898785 zeta(22)=1.193406381689995e-07 [2] xi(21)=0.0008377261554967748 xi_scaled(21)=0.9999999761334848 zeta(22)=-5.962350381049745e-08 Stats: nr=12 min=1 max=710 Emax=8.005040179072768 nrkept=695 nrkeptmult=695 Kept: 695 out of 3160, ratio=0.22 Memory used: 452 MB Time elapsed: 185 s ***** [DM] Iteration 23/30 (scale 0.00059236185946671895) ***** [1] xi(22)=0.0005923620180968753 xi_scaled(22)=1.000000267792657 zeta(23)=6.106434375753788e-08 [2] xi(22)=0.0005923620101726802 xi_scaled(22)=1.000000254415369 zeta(23)=-3.050876605885525e-08 Stats: nr=11 min=5 max=626 Emax=8.011798932407094 nrkept=704 nrkeptmult=704 Kept: 704 out of 2780, ratio=0.253 Memory used: 452 MB Time elapsed: 185 s ***** [DM] Iteration 24/30 (scale 0.00041886308774518965) ***** [1] xi(23)=0.0004188629609934379 xi_scaled(23)=0.9999996973909723 zeta(24)=3.122805874913399e-08 [2] xi(23)=0.0004188629580884749 xi_scaled(23)=0.9999996904556202 zeta(24)=-1.56023269997933e-08 Stats: nr=12 min=1 max=635 Emax=8.001165856257785 nrkept=622 nrkeptmult=622 Kept: 622 out of 2816, ratio=0.221 Memory used: 452 MB Time elapsed: 186 s ***** [DM] Iteration 25/30 (scale 0.00029618092973335947) ***** [1] xi(24)=0.0002961810425688772 xi_scaled(24)=1.000000380968207 zeta(25)=1.596278244545441e-08 [2] xi(24)=0.0002961810415048384 xi_scaled(24)=1.000000377375677 zeta(25)=-7.9755401345417e-09 Stats: nr=11 min=5 max=560 Emax=8.002371052533011 nrkept=621 nrkeptmult=621 Kept: 621 out of 2488, ratio=0.25 Memory used: 452 MB Time elapsed: 187 s ***** [DM] Iteration 26/30 (scale 0.00020943154387259482) ***** [1] xi(25)=0.0002094313978023193 xi_scaled(25)=0.9999993025392792 zeta(26)=8.155742973490887e-09 [2] xi(25)=0.0002094313974127635 xi_scaled(25)=0.9999993006792166 zeta(26)=-4.074945995788806e-09 Stats: nr=12 min=1 max=566 Emax=8.001246186185593 nrkept=573 nrkeptmult=573 Kept: 573 out of 2484, ratio=0.231 Memory used: 452 MB Time elapsed: 187 s ***** [DM] Iteration 27/30 (scale 0.00014809046486667974) ***** [1] xi(26)=0.0001480905705438363 xi_scaled(26)=1.000000713598655 zeta(27)=4.164952526438176e-09 [2] xi(26)=0.0001480905704013459 xi_scaled(26)=1.00000071263647 zeta(27)=-2.081013514385011e-09 Stats: nr=11 min=5 max=516 Emax=8.003276845573295 nrkept=583 nrkeptmult=583 Kept: 583 out of 2292, ratio=0.254 Memory used: 452 MB Time elapsed: 187 s ***** [DM] Iteration 28/30 (scale 0.00010471577193629741) ***** [1] xi(27)=0.0001047156244037065 xi_scaled(27)=0.9999985911139441 zeta(28)=2.126005822968022e-09 [2] xi(27)=0.0001047156243516344 xi_scaled(27)=0.9999985906166731 zeta(28)=-1.062271550114122e-09 Stats: nr=11 min=4 max=529 Emax=8.00094122066022 nrkept=549 nrkeptmult=549 Kept: 549 out of 2332, ratio=0.235 Memory used: 452 MB Time elapsed: 188 s ***** [DM] Iteration 29/30 (scale 7.4045232433339868e-05) ***** [1] xi(28)=7.404533760596066e-05 xi_scaled(28)=1.000001420383424 zeta(29)=1.084808557543781e-09 [2] xi(28)=7.40453375869497e-05 xi_scaled(28)=1.000001420126676 zeta(29)=-5.420385910128719e-10 Stats: nr=11 min=5 max=492 Emax=8.00827892588466 nrkept=573 nrkeptmult=573 Kept: 573 out of 2196, ratio=0.261 Memory used: 452 MB Time elapsed: 188 s ***** [DM] Iteration 30/30 (scale 5.2357885968148706e-05) ***** [1] xi(29)=5.235773789499328e-05 xi_scaled(29)=0.9999971719034737 zeta(30)=5.532631158813749e-10 [2] xi(29)=5.235773788805991e-05 xi_scaled(29)=0.9999971717710511 zeta(30)=-2.76448719126251e-10 Stats: nr=11 min=4 max=518 Emax=8.004426652732739 nrkept=2292 nrkeptmult=2292 Kept: 2292 out of 2292, ratio=1 Memory used: 452 MB Time elapsed: 189 s ** Iteration completed. Spectrum: A_d_d-A_d_d FDM [A_d_d-A_d_d] pos=0.4422053160999507 neg=0.5577946838994667 sum= 0.9999999999994175 mu1=-0.007215987426167157 mu2=0.03262593709104179 mu3=0.0006011429574437118 mu4=0.01169559843590814 f=0.4422053160999507 b=0.4422053160999507 Spectrum: A_d_u-A_d_u FDM [A_d_u-A_d_u] pos=0.6419703270956091 neg=0.3580296729033851 sum= 0.9999999999989941 mu1=0.002943107158672666 mu2=0.002575368851190933 mu3=-6.126512213550236e-05 mu4=0.0007155601793680169 f=0.6419703270956091 b=0.6419703270956091 Spectrum: self_d_d-A_d_d FDM [self_d_d-A_d_d] pos=-0.0004869414265675419 neg=-0.006611574928112324 sum= -0.007098516354679866 mu1=0.0006324362682276081 mu2=-0.000232684725914267 mu3=3.857593190611097e-05 mu4=-8.159847016988659e-05 f=-0.0004869414265675419 b=-0.0004869414265675419 Spectrum: self_d_u-A_d_u FDM [self_d_u-A_d_u] pos=0.004507183847910485 neg=-0.00161744965291479 sum= 0.002889734194995695 mu1=0.0006330742448488916 mu2=4.317892690826785e-05 mu3=5.947785409281383e-05 mu4=1.192839063766805e-05 f=0.004507183847910485 b=0.004507183847910485 Memory usage report =================== after diag: 727744 kB after recalc: 870424 kB after split: 727744 kB after trim: 727744 kB after trunc: 727744 kB diag_h: 359844 kB Peak usage: 870424 kB Timing report ============= All: 189 s DM: 2 s FDM: 15 s diag: 73 s recalc d: 53 s recalc s: 2 s spec d: 34 s Other: 6 s