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=asymode 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=old 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 0.1538768918445435 (-1 0) 2 states 0.05089433065095104 0.2615506603532815 (-1 2) 2 states 0.09918732352681424 0.1554693505661107 (0 -1) 1 states 0.1585680991596889 (0 1) 4 states 0 0.06457135345256017 0.2101582743726722 0.2731093839597122 (0 3) 1 states 0.1007797822483814 (1 0) 2 states 0.1098040033661715 0.1833783343258482 (1 2) 2 states 0.01370984022295017 0.221684180557762 (2 1) 1 states 0.1346142385323307 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) =-2.441672750912567e-06 =1.000003779649413 ***** [NRG] Iteration 1/30 (scale 1.2131570881878404) ***** [1] xi(0)=0.5697372089569404 xi_scaled(0)=0.469631851063895 zeta(1)=0.008607350421128632 [2] xi(0)=0.5726028299855672 xi_scaled(0)=0.471993969751185 zeta(1)=-0.004590071536336409 Stats: nr=16 min=1 max=9 Emax=1.952344138235608 nrkept=64 nrkeptmult=64 Total energy=-1.196777315397772 Egs=-0.7825041914322529 Kept: 64 out of 64, ratio=1 =-6.636237724608489e-06 =1.000010205829781 Memory used: 46 MB Time elapsed: 0 s ***** [NRG] Iteration 2/30 (scale 0.85783160370214839) ***** [1] xi(1)=0.5417779097507567 xi_scaled(1)=0.6315667403865781 zeta(2)=-0.008706378092611865 [2] xi(1)=0.5413437245552535 xi_scaled(1)=0.6310605976965333 zeta(2)=0.004371524191374445 Stats: nr=25 min=1 max=36 Emax=4.064757824548608 nrkept=256 nrkeptmult=256 Total energy=-1.756417313577895 Egs=-0.6523891119945702 Kept: 256 out of 256, ratio=1 =-1.809825972028816e-05 =1.000027571119847 Memory used: 54 MB Time elapsed: 0 s ***** [NRG] Iteration 3/30 (scale 0.6065785440939202) ***** [1] xi(2)=0.5906662644570785 xi_scaled(2)=0.9737671571278361 zeta(3)=0.01259166654797661 [2] xi(2)=0.5909638156602524 xi_scaled(2)=0.974257697398459 zeta(3)=-0.006263717060461684 Stats: nr=36 min=1 max=100 Emax=8.000502767563177 nrkept=1017 nrkeptmult=1017 Total energy=-2.626264046376371 Egs=-1.434021597479703 Kept: 1017 out of 1024, ratio=0.993 =-5.084225038371785e-05 =1.000071233555494 Memory used: 70 MB Time elapsed: 0 s ***** [NRG] Iteration 4/30 (scale 0.4289158018510742) ***** [1] xi(3)=0.5166546729677962 xi_scaled(3)=1.204559661215714 zeta(4)=0.0258900345136636 [2] xi(3)=0.5163145851610409 xi_scaled(3)=1.203766760125832 zeta(4)=-0.01281806437770948 Stats: nr=49 min=1 max=394 Emax=8.040114190405212 nrkept=2401 nrkeptmult=2401 Total energy=-3.178296341100195 Egs=-1.287041168316521 Kept: 2401 out of 4068, ratio=0.59 =-0.0001180942515168706 =1.000172290003437 Memory used: 88 MB Time elapsed: 0 s ***** [NRG] Iteration 5/30 (scale 0.3032892720469601) ***** [1] xi(4)=0.341408987426657 xi_scaled(4)=1.125687648370875 zeta(5)=0.01274279877915297 [2] xi(4)=0.340850185550008 xi_scaled(4)=1.123845176750044 zeta(5)=-0.006308952360577286 Stats: nr=64 min=1 max=712 Emax=8.000255172395423 nrkept=2749 nrkeptmult=2749 Total energy=-3.61496850449991 Egs=-1.439787699883107 Kept: 2749 out of 9604, ratio=0.286 =-0.0002692671348005435 =1.000407635106441 Memory used: 123 MB Time elapsed: 1 s ***** [NRG] Iteration 6/30 (scale 0.2144579009255371) ***** [1] xi(5)=0.2217216245765488 xi_scaled(5)=1.033870161088324 zeta(6)=0.005334335947785527 [2] xi(5)=0.2215216227151841 xi_scaled(5)=1.032937568441928 zeta(6)=-0.002650848960629404 Stats: nr=69 min=1 max=900 Emax=8.000398361848509 nrkept=2591 nrkeptmult=2591 Total energy=-3.847791566048585 Egs=-1.085635271742753 Kept: 2591 out of 10996, ratio=0.236 =-0.0005766568081893585 =1.000789287895327 Memory used: 112 MB Time elapsed: 4 s ***** [NRG] Iteration 7/30 (scale 0.15164463602348005) ***** [1] xi(6)=0.1529945309177671 xi_scaled(6)=1.008901698930373 zeta(7)=0.002592569071749499 [2] xi(6)=0.1529311430082545 xi_scaled(6)=1.008483695951997 zeta(7)=-0.001291548796210057 Stats: nr=60 min=3 max=769 Emax=8.00517879431621 nrkept=1971 nrkeptmult=1971 Total energy=-4.043263022299913 Egs=-1.28901002618425 Kept: 1971 out of 10364, ratio=0.19 =-0.001102560244596198 =1.001416325400946 Memory used: 116 MB Time elapsed: 5 s ***** [NRG] Iteration 8/30 (scale 0.10722895046276855) ***** [1] xi(7)=0.1075832005872465 xi_scaled(7)=1.003303679863965 zeta(8)=0.001325062869633104 [2] xi(7)=0.1075603822499854 xi_scaled(7)=1.003090879709131 zeta(8)=-0.0006609130419031884 Stats: nr=69 min=1 max=677 Emax=8.001010104608055 nrkept=1942 nrkeptmult=1942 Total energy=-4.162599107586582 Egs=-1.112909198230973 Kept: 1942 out of 7884, ratio=0.246 =-0.001905314177816773 =1.002246753543845 Memory used: 120 MB Time elapsed: 6 s ***** [NRG] Iteration 9/30 (scale 0.075822318011740025) ***** [1] xi(8)=0.07593435955472468 xi_scaled(8)=1.001477685540652 zeta(9)=0.0006828563531039299 [2] xi(8)=0.07592583070220545 xi_scaled(8)=1.001365200816591 zeta(9)=-0.0003408136349843373 Stats: nr=60 min=2 max=590 Emax=8.000996273834927 nrkept=1769 nrkeptmult=1769 Total energy=-4.255687628383017 Egs=-1.227719268382453 Kept: 1769 out of 7768, ratio=0.228 =-0.003085254998017142 =1.003196772273456 Memory used: 123 MB Time elapsed: 7 s ***** [NRG] Iteration 10/30 (scale 0.053614475231384275) ***** [1] xi(9)=0.05365230742530677 xi_scaled(9)=1.000705633949772 zeta(10)=0.0003523254229634359 [2] xi(9)=0.05364910719536741 xi_scaled(9)=1.000645944287129 zeta(10)=-0.0001759083284750355 Stats: nr=67 min=1 max=607 Emax=8.000867061827392 nrkept=1674 nrkeptmult=1674 Total energy=-4.31789570377008 Egs=-1.16028507448019 Kept: 1674 out of 7076, ratio=0.237 =-0.004694037705922834 =1.004096723594346 Memory used: 123 MB Time elapsed: 8 s ***** [NRG] Iteration 11/30 (scale 0.037911159005870013) ***** [1] xi(10)=0.03792429034114959 xi_scaled(10)=1.000346371243294 zeta(11)=0.0001817475529473793 [2] xi(10)=0.03792309117585357 xi_scaled(10)=1.000314740311203 zeta(11)=-9.076099613929318e-05 Stats: nr=60 min=1 max=518 Emax=8.002183461581001 nrkept=1512 nrkeptmult=1512 Total energy=-4.362322870564462 Egs=-1.171875721011423 Kept: 1512 out of 6696, ratio=0.226 =-0.006822645396548914 =1.004542048023452 Memory used: 123 MB Time elapsed: 8 s ***** [NRG] Iteration 12/30 (scale 0.026807237615692137) ***** [1] xi(11)=0.02681185535391627 xi_scaled(11)=1.000172257145265 zeta(12)=9.369682378236343e-05 [2] xi(11)=0.02681140698588283 xi_scaled(11)=1.000155531511693 zeta(12)=-4.679593529076888e-05 Stats: nr=63 min=1 max=530 Emax=8.004701594764196 nrkept=1414 nrkeptmult=1414 Total energy=-4.394729350108533 Egs=-1.208870529990808 Kept: 1414 out of 6048, ratio=0.234 =-0.009494164359600625 =1.004246688509491 Memory used: 123 MB Time elapsed: 9 s ***** [NRG] Iteration 13/30 (scale 0.018955579502935006) ***** [1] xi(12)=0.01895721377144598 xi_scaled(12)=1.000086215697638 zeta(13)=4.826746911123218e-05 [2] xi(12)=0.01895704650325335 xi_scaled(12)=1.000077391478225 zeta(13)=-2.410855468184515e-05 Stats: nr=60 min=1 max=442 Emax=8.000700661269544 nrkept=1341 nrkeptmult=1341 Total energy=-4.415931192311589 Egs=-1.118501399536375 Kept: 1341 out of 5656, ratio=0.237 =-0.01289284466801282 =1.002780532706961 Memory used: 123 MB Time elapsed: 10 s ***** [NRG] Iteration 14/30 (scale 0.013403618807846069) ***** [1] xi(13)=0.01340419902259214 xi_scaled(13)=1.000043287917568 zeta(14)=2.484519817458579e-05 [2] xi(13)=0.01340413675638042 xi_scaled(13)=1.00003864243991 zeta(14)=-1.241029427272631e-05 Stats: nr=61 min=1 max=477 Emax=8.007972273288875 nrkept=1200 nrkeptmult=1200 Total energy=-4.432782594099409 Egs=-1.257227770306016 Kept: 1200 out of 5364, ratio=0.224 =-0.01710431508508212 =0.9999693655519525 Memory used: 123 MB Time elapsed: 10 s ***** [NRG] Iteration 15/30 (scale 0.0094777897514675032) ***** [1] xi(14)=0.009477996066760861 xi_scaled(14)=1.000021768291845 zeta(15)=1.277883772897857e-05 [2] xi(14)=0.009477972934803481 xi_scaled(14)=1.000019327642919 zeta(15)=-6.383342985217991e-06 Stats: nr=59 min=1 max=380 Emax=8.000148886003611 nrkept=1149 nrkeptmult=1149 Total energy=-4.442912884460964 Egs=-1.06884522944664 Kept: 1149 out of 4800, ratio=0.239 =-0.0223200557645196 =0.995539041355745 Memory used: 123 MB Time elapsed: 10 s ***** [NRG] Iteration 16/30 (scale 0.0067018094039230343) ***** [1] xi(15)=0.006701882824510527 xi_scaled(15)=1.000010955338039 zeta(16)=6.567672062365919e-06 [2] xi(15)=0.006701874247273822 xi_scaled(15)=1.00000967549909 zeta(16)=-3.280818566240342e-06 Stats: nr=56 min=1 max=419 Emax=8.001849079718925 nrkept=1038 nrkeptmult=1038 Total energy=-4.451647020392651 Egs=-1.303250421680872 Kept: 1038 out of 4596, ratio=0.226 =-0.02877795370783907 =0.9894711283049621 Memory used: 123 MB Time elapsed: 10 s ***** [NRG] Iteration 17/30 (scale 0.0047388948757337516) ***** [1] xi(16)=0.004738921012039351 xi_scaled(16)=1.000005515274401 zeta(17)=3.372998111927497e-06 [2] xi(16)=0.004738917837090158 xi_scaled(16)=1.000004845297693 zeta(17)=-1.684995786308436e-06 Stats: nr=58 min=1 max=339 Emax=8.000604461954945 nrkept=1020 nrkeptmult=1020 Total energy=-4.456509882992102 Egs=-1.026159627290269 Kept: 1020 out of 4152, ratio=0.246 =-0.03649428629814304 =0.9818292471214144 Memory used: 123 MB Time elapsed: 11 s ***** [NRG] Iteration 18/30 (scale 0.0033509047019615172) ***** [1] xi(17)=0.00335091400841911 xi_scaled(17)=1.000002777297005 zeta(18)=1.73108956882842e-06 [2] xi(17)=0.003350912835187939 xi_scaled(17)=1.0000024271733 zeta(18)=-8.647946053287478e-07 Stats: nr=55 min=1 max=373 Emax=8.003935498866587 nrkept=908 nrkeptmult=908 Total energy=-4.461010380388466 Egs=-1.343069348922211 Kept: 908 out of 4080, ratio=0.223 =-0.04558666482385181 =0.9725891325672608 Memory used: 123 MB Time elapsed: 11 s ***** [NRG] Iteration 19/30 (scale 0.0023694474378668758) ***** [1] xi(18)=0.002369450750107592 xi_scaled(18)=1.00000139789584 zeta(19)=8.878426159069389e-07 [2] xi(18)=0.002369450317111391 xi_scaled(18)=1.000001215154415 zeta(19)=-4.435466070492371e-07 Stats: nr=58 min=1 max=302 Emax=8.001202496797744 nrkept=916 nrkeptmult=916 Total energy=-4.463364587849794 Egs=-0.9935681305710558 Kept: 916 out of 3632, ratio=0.252 =-0.05557591855495729 =0.9622774668321629 Memory used: 123 MB Time elapsed: 11 s ***** [NRG] Iteration 20/30 (scale 0.0016754523509807586) ***** [1] xi(19)=0.001675453530467325 xi_scaled(19)=1.000000703980967 zeta(20)=4.550709871439045e-07 [2] xi(19)=0.001675453370989354 xi_scaled(19)=1.000000608795944 zeta(20)=-2.273482486995118e-07 Stats: nr=55 min=1 max=340 Emax=8.000070985239867 nrkept=794 nrkeptmult=794 Total energy=-4.465665482757377 Egs=-1.373297728363057 Kept: 794 out of 3664, ratio=0.217 =-0.06601276503410757 =0.9514241934749891 Memory used: 123 MB Time elapsed: 11 s ***** [NRG] Iteration 21/30 (scale 0.0011847237189334379) ***** [1] xi(20)=0.001184724137067559 xi_scaled(20)=1.000000352938085 zeta(21)=2.331106119398539e-07 [2] xi(20)=0.001184724078298883 xi_scaled(20)=1.000000303332701 zeta(21)=-1.16461713923324e-07 Stats: nr=56 min=1 max=270 Emax=8.001313912673167 nrkept=790 nrkeptmult=790 Total energy=-4.466816701386748 Egs=-0.9717190691584077 Kept: 790 out of 3176, ratio=0.249 =-0.07581608260707952 =0.9411747868483183 Memory used: 123 MB Time elapsed: 11 s ***** [NRG] Iteration 22/30 (scale 0.00083772617549037929) ***** [1] xi(21)=0.0008377263242888455 xi_scaled(21)=1.000000177621842 zeta(22)=1.193430199344007e-07 [2] xi(21)=0.0008377263027596856 xi_scaled(21)=1.000000151922323 zeta(22)=-5.96247245906053e-08 Stats: nr=51 min=1 max=299 Emax=8.005088324430226 nrkept=695 nrkeptmult=695 Total energy=-4.467983952256585 Egs=-1.393356091748067 Kept: 695 out of 3160, ratio=0.22 =-0.08419846303555985 =0.9323757547470329 Memory used: 123 MB Time elapsed: 12 s ***** [NRG] Iteration 23/30 (scale 0.00059236185946671895) ***** [1] xi(22)=0.0005923619105254363 xi_scaled(22)=1.000000086195147 zeta(23)=6.106548854920341e-08 [2] xi(22)=0.0005923619025401621 xi_scaled(22)=1.000000072714748 zeta(23)=-3.050935696959595e-08 Stats: nr=53 min=1 max=240 Emax=8.011799065282091 nrkept=704 nrkeptmult=704 Total energy=-4.468551812162001 Egs=-0.9586368472935948 Kept: 704 out of 2780, ratio=0.253 =-0.09054356347675008 =0.9257083106649513 Memory used: 123 MB Time elapsed: 12 s ***** [NRG] Iteration 24/30 (scale 0.00041886308774518965) ***** [1] xi(23)=0.0004188631058083895 xi_scaled(23)=1.000000043124353 zeta(24)=3.122984410787174e-08 [2] xi(23)=0.0004188631029510228 xi_scaled(23)=1.000000036302634 zeta(24)=-1.560323240530764e-08 Stats: nr=49 min=1 max=270 Emax=8.001205785290802 nrkept=622 nrkeptmult=622 Total energy=-4.469140427680418 Egs=-1.405269491721762 Kept: 622 out of 2816, ratio=0.221 =-0.0948884509930583 =0.9211264920553274 Memory used: 123 MB Time elapsed: 12 s ***** [NRG] Iteration 25/30 (scale 0.00029618092973335947) ***** [1] xi(24)=0.0002961809342295745 xi_scaled(24)=1.000000015180636 zeta(25)=1.59635852728599e-08 [2] xi(24)=0.0002961809331014865 xi_scaled(24)=1.000000011371857 zeta(25)=-7.975951488519482e-09 Stats: nr=53 min=1 max=218 Emax=8.002400315844055 nrkept=621 nrkeptmult=621 Total energy=-4.469422216788092 Egs=-0.9514086809321906 Kept: 621 out of 2488, ratio=0.25 =-0.09758331575470676 =0.9182874500406862 Memory used: 123 MB Time elapsed: 12 s ***** [NRG] Iteration 26/30 (scale 0.00020943154387259482) ***** [1] xi(25)=0.000209431545351913 xi_scaled(25)=1.000000007063493 zeta(26)=8.156228578422771e-09 [2] xi(25)=0.0002094315450100971 xi_scaled(25)=1.00000000543138 zeta(26)=-4.075197211405015e-09 Stats: nr=47 min=1 max=238 Emax=8.001356460733263 nrkept=573 nrkeptmult=573 Total energy=-4.469717897928658 Egs=-1.411827154105206 Kept: 573 out of 2484, ratio=0.231 =-0.09906014296425636 =0.9167288780018966 Memory used: 123 MB Time elapsed: 12 s ***** [NRG] Iteration 27/30 (scale 0.00014809046486667974) ***** [1] xi(26)=0.0001480904634563812 xi_scaled(26)=0.9999999904767768 zeta(27)=4.165449150092479e-09 [2] xi(26)=0.0001480904632501828 xi_scaled(26)=0.9999999890843958 zeta(27)=-2.081269652047794e-09 Stats: nr=52 min=1 max=205 Emax=8.003301245211031 nrkept=583 nrkeptmult=583 Total energy=-4.469858228973023 Egs=-0.9476035104028171 Kept: 583 out of 2292, ratio=0.254 =-0.09987036880753045 =0.915873910127165 Memory used: 123 MB Time elapsed: 12 s ***** [NRG] Iteration 28/30 (scale 0.00010471577193629741) ***** [1] xi(27)=0.0001047157713116976 xi_scaled(27)=0.9999999940352844 zeta(28)=2.126490193028175e-09 [2] xi(27)=0.000104715771307403 xi_scaled(27)=0.9999999939942725 zeta(28)=-1.062521024557958e-09 Stats: nr=46 min=1 max=216 Emax=8.000789752275253 nrkept=549 nrkeptmult=549 Total energy=-4.470006430745978 Egs=-1.415276516754295 Kept: 549 out of 2332, ratio=0.235 =-0.1002801378630889 =0.9154414201740079 Memory used: 123 MB Time elapsed: 12 s ***** [NRG] Iteration 29/30 (scale 7.4045232433339868e-05) ***** [1] xi(28)=7.40452302740937e-05 xi_scaled(28)=0.9999999708388224 zeta(29)=1.085252873488339e-09 [2] xi(28)=7.404523019137008e-05 xi_scaled(28)=0.9999999697216185 zeta(29)=-5.422681086208975e-10 Stats: nr=52 min=1 max=199 Emax=8.008195580419891 nrkept=573 nrkeptmult=573 Total energy=-4.47007645173153 Egs=-0.9456515058515915 Kept: 573 out of 2196, ratio=0.261 =-0.1004943127977478 =0.9152154719945204 Memory used: 123 MB Time elapsed: 12 s ***** [NRG] Iteration 30/30 (scale 5.2357885968148706e-05) ***** [1] xi(29)=5.235788507599014e-05 xi_scaled(29)=0.9999999829603784 zeta(30)=5.537169944924222e-10 [2] xi(29)=5.235788511680308e-05 xi_scaled(29)=0.9999999837398778 zeta(30)=-2.76682577862372e-10 Stats: nr=46 min=1 max=211 Emax=8.004435230304612 nrkept=2292 nrkeptmult=2292 Total energy=-4.470150645288352 Egs=-1.41704645728592 Kept: 2292 out of 2292, ratio=1 =-0.1005955211132538 =0.9151086268071302 Memory used: 123 MB Time elapsed: 12 s ** Iteration completed. Total energy: -4.470150645288352 TKW=0.004292067635265807 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 0.1538768918445435 (-1 0) 2 states 0.05089433065095104 0.2615506603532815 (-1 2) 2 states 0.09918732352681424 0.1554693505661107 (0 -1) 1 states 0.1585680991596889 (0 1) 4 states 0 0.06457135345256017 0.2101582743726722 0.2731093839597122 (0 3) 1 states 0.1007797822483814 (1 0) 2 states 0.1098040033661715 0.1833783343258482 (1 2) 2 states 0.01370984022295017 0.221684180557762 (2 1) 1 states 0.1346142385323307 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)=0.5697372089569404 xi_scaled(0)=0.469631851063895 zeta(1)=0.008607350421128632 [2] xi(0)=0.5726028299855672 xi_scaled(0)=0.471993969751185 zeta(1)=-0.004590071536336409 Stats: nr=16 min=1 max=9 Emax=1.952344138235608 nrkept=64 nrkeptmult=64 Kept: 64 out of 64, ratio=1 Memory used: 180 MB Time elapsed: 17 s ***** [DM] Iteration 2/30 (scale 0.85783160370214839) ***** [1] xi(1)=0.5417779097507567 xi_scaled(1)=0.6315667403865781 zeta(2)=-0.008706378092611865 [2] xi(1)=0.5413437245552535 xi_scaled(1)=0.6310605976965333 zeta(2)=0.004371524191374445 Stats: nr=25 min=1 max=36 Emax=4.064757824548608 nrkept=256 nrkeptmult=256 Kept: 256 out of 256, ratio=1 Memory used: 180 MB Time elapsed: 17 s ***** [DM] Iteration 3/30 (scale 0.6065785440939202) ***** [1] xi(2)=0.5906662644570785 xi_scaled(2)=0.9737671571278361 zeta(3)=0.01259166654797661 [2] xi(2)=0.5909638156602524 xi_scaled(2)=0.974257697398459 zeta(3)=-0.006263717060461684 Stats: nr=36 min=1 max=100 Emax=8.000502767563177 nrkept=1017 nrkeptmult=1017 Kept: 1017 out of 1024, ratio=0.993 Memory used: 180 MB Time elapsed: 17 s ***** [DM] Iteration 4/30 (scale 0.4289158018510742) ***** [1] xi(3)=0.5166546729677962 xi_scaled(3)=1.204559661215714 zeta(4)=0.0258900345136636 [2] xi(3)=0.5163145851610409 xi_scaled(3)=1.203766760125832 zeta(4)=-0.01281806437770948 Stats: nr=49 min=1 max=394 Emax=8.040114190405212 nrkept=2401 nrkeptmult=2401 Kept: 2401 out of 4068, ratio=0.59 Memory used: 180 MB Time elapsed: 17 s ***** [DM] Iteration 5/30 (scale 0.3032892720469601) ***** [1] xi(4)=0.341408987426657 xi_scaled(4)=1.125687648370875 zeta(5)=0.01274279877915297 [2] xi(4)=0.340850185550008 xi_scaled(4)=1.123845176750044 zeta(5)=-0.006308952360577286 Stats: nr=64 min=1 max=712 Emax=8.000255172395423 nrkept=2749 nrkeptmult=2749 Kept: 2749 out of 9604, ratio=0.286 Memory used: 229 MB Time elapsed: 19 s ***** [DM] Iteration 6/30 (scale 0.2144579009255371) ***** [1] xi(5)=0.2217216245765488 xi_scaled(5)=1.033870161088324 zeta(6)=0.005334335947785527 [2] xi(5)=0.2215216227151841 xi_scaled(5)=1.032937568441928 zeta(6)=-0.002650848960629404 Stats: nr=69 min=1 max=900 Emax=8.000398361848509 nrkept=2591 nrkeptmult=2591 Kept: 2591 out of 10996, ratio=0.236 Memory used: 228 MB Time elapsed: 21 s ***** [DM] Iteration 7/30 (scale 0.15164463602348005) ***** [1] xi(6)=0.1529945309177671 xi_scaled(6)=1.008901698930373 zeta(7)=0.002592569071749499 [2] xi(6)=0.1529311430082545 xi_scaled(6)=1.008483695951997 zeta(7)=-0.001291548796210057 Stats: nr=60 min=3 max=769 Emax=8.00517879431621 nrkept=1971 nrkeptmult=1971 Kept: 1971 out of 10364, ratio=0.19 Memory used: 238 MB Time elapsed: 23 s ***** [DM] Iteration 8/30 (scale 0.10722895046276855) ***** [1] xi(7)=0.1075832005872465 xi_scaled(7)=1.003303679863965 zeta(8)=0.001325062869633104 [2] xi(7)=0.1075603822499854 xi_scaled(7)=1.003090879709131 zeta(8)=-0.0006609130419031884 Stats: nr=69 min=1 max=677 Emax=8.001010104608055 nrkept=1942 nrkeptmult=1942 Kept: 1942 out of 7884, ratio=0.246 Memory used: 238 MB Time elapsed: 24 s ***** [DM] Iteration 9/30 (scale 0.075822318011740025) ***** [1] xi(8)=0.07593435955472468 xi_scaled(8)=1.001477685540652 zeta(9)=0.0006828563531039299 [2] xi(8)=0.07592583070220545 xi_scaled(8)=1.001365200816591 zeta(9)=-0.0003408136349843373 Stats: nr=60 min=2 max=590 Emax=8.000996273834927 nrkept=1769 nrkeptmult=1769 Kept: 1769 out of 7768, ratio=0.228 Memory used: 224 MB Time elapsed: 25 s ***** [DM] Iteration 10/30 (scale 0.053614475231384275) ***** [1] xi(9)=0.05365230742530677 xi_scaled(9)=1.000705633949772 zeta(10)=0.0003523254229634359 [2] xi(9)=0.05364910719536741 xi_scaled(9)=1.000645944287129 zeta(10)=-0.0001759083284750355 Stats: nr=67 min=1 max=607 Emax=8.000867061827392 nrkept=1674 nrkeptmult=1674 Kept: 1674 out of 7076, ratio=0.237 Memory used: 224 MB Time elapsed: 26 s ***** [DM] Iteration 11/30 (scale 0.037911159005870013) ***** [1] xi(10)=0.03792429034114959 xi_scaled(10)=1.000346371243294 zeta(11)=0.0001817475529473793 [2] xi(10)=0.03792309117585357 xi_scaled(10)=1.000314740311203 zeta(11)=-9.076099613929318e-05 Stats: nr=60 min=1 max=518 Emax=8.002183461581001 nrkept=1512 nrkeptmult=1512 Kept: 1512 out of 6696, ratio=0.226 Memory used: 224 MB Time elapsed: 27 s ***** [DM] Iteration 12/30 (scale 0.026807237615692137) ***** [1] xi(11)=0.02681185535391627 xi_scaled(11)=1.000172257145265 zeta(12)=9.369682378236343e-05 [2] xi(11)=0.02681140698588283 xi_scaled(11)=1.000155531511693 zeta(12)=-4.679593529076888e-05 Stats: nr=63 min=1 max=530 Emax=8.004701594764196 nrkept=1414 nrkeptmult=1414 Kept: 1414 out of 6048, ratio=0.234 Memory used: 224 MB Time elapsed: 27 s ***** [DM] Iteration 13/30 (scale 0.018955579502935006) ***** [1] xi(12)=0.01895721377144598 xi_scaled(12)=1.000086215697638 zeta(13)=4.826746911123218e-05 [2] xi(12)=0.01895704650325335 xi_scaled(12)=1.000077391478225 zeta(13)=-2.410855468184515e-05 Stats: nr=60 min=1 max=442 Emax=8.000700661269544 nrkept=1341 nrkeptmult=1341 Kept: 1341 out of 5656, ratio=0.237 Memory used: 224 MB Time elapsed: 28 s ***** [DM] Iteration 14/30 (scale 0.013403618807846069) ***** [1] xi(13)=0.01340419902259214 xi_scaled(13)=1.000043287917568 zeta(14)=2.484519817458579e-05 [2] xi(13)=0.01340413675638042 xi_scaled(13)=1.00003864243991 zeta(14)=-1.241029427272631e-05 Stats: nr=61 min=1 max=477 Emax=8.007972273288875 nrkept=1200 nrkeptmult=1200 Kept: 1200 out of 5364, ratio=0.224 Memory used: 224 MB Time elapsed: 29 s ***** [DM] Iteration 15/30 (scale 0.0094777897514675032) ***** [1] xi(14)=0.009477996066760861 xi_scaled(14)=1.000021768291845 zeta(15)=1.277883772897857e-05 [2] xi(14)=0.009477972934803481 xi_scaled(14)=1.000019327642919 zeta(15)=-6.383342985217991e-06 Stats: nr=59 min=1 max=380 Emax=8.000148886003611 nrkept=1149 nrkeptmult=1149 Kept: 1149 out of 4800, ratio=0.239 Memory used: 224 MB Time elapsed: 29 s ***** [DM] Iteration 16/30 (scale 0.0067018094039230343) ***** [1] xi(15)=0.006701882824510527 xi_scaled(15)=1.000010955338039 zeta(16)=6.567672062365919e-06 [2] xi(15)=0.006701874247273822 xi_scaled(15)=1.00000967549909 zeta(16)=-3.280818566240342e-06 Stats: nr=56 min=1 max=419 Emax=8.001849079718925 nrkept=1038 nrkeptmult=1038 Kept: 1038 out of 4596, ratio=0.226 Memory used: 224 MB Time elapsed: 29 s ***** [DM] Iteration 17/30 (scale 0.0047388948757337516) ***** [1] xi(16)=0.004738921012039351 xi_scaled(16)=1.000005515274401 zeta(17)=3.372998111927497e-06 [2] xi(16)=0.004738917837090158 xi_scaled(16)=1.000004845297693 zeta(17)=-1.684995786308436e-06 Stats: nr=58 min=1 max=339 Emax=8.000604461954945 nrkept=1020 nrkeptmult=1020 Kept: 1020 out of 4152, ratio=0.246 Memory used: 224 MB Time elapsed: 30 s ***** [DM] Iteration 18/30 (scale 0.0033509047019615172) ***** [1] xi(17)=0.00335091400841911 xi_scaled(17)=1.000002777297005 zeta(18)=1.73108956882842e-06 [2] xi(17)=0.003350912835187939 xi_scaled(17)=1.0000024271733 zeta(18)=-8.647946053287478e-07 Stats: nr=55 min=1 max=373 Emax=8.003935498866587 nrkept=908 nrkeptmult=908 Kept: 908 out of 4080, ratio=0.223 Memory used: 224 MB Time elapsed: 30 s ***** [DM] Iteration 19/30 (scale 0.0023694474378668758) ***** [1] xi(18)=0.002369450750107592 xi_scaled(18)=1.00000139789584 zeta(19)=8.878426159069389e-07 [2] xi(18)=0.002369450317111391 xi_scaled(18)=1.000001215154415 zeta(19)=-4.435466070492371e-07 Stats: nr=58 min=1 max=302 Emax=8.001202496797744 nrkept=916 nrkeptmult=916 Kept: 916 out of 3632, ratio=0.252 Memory used: 224 MB Time elapsed: 31 s ***** [DM] Iteration 20/30 (scale 0.0016754523509807586) ***** [1] xi(19)=0.001675453530467325 xi_scaled(19)=1.000000703980967 zeta(20)=4.550709871439045e-07 [2] xi(19)=0.001675453370989354 xi_scaled(19)=1.000000608795944 zeta(20)=-2.273482486995118e-07 Stats: nr=55 min=1 max=340 Emax=8.000070985239867 nrkept=794 nrkeptmult=794 Kept: 794 out of 3664, ratio=0.217 Memory used: 224 MB Time elapsed: 31 s ***** [DM] Iteration 21/30 (scale 0.0011847237189334379) ***** [1] xi(20)=0.001184724137067559 xi_scaled(20)=1.000000352938085 zeta(21)=2.331106119398539e-07 [2] xi(20)=0.001184724078298883 xi_scaled(20)=1.000000303332701 zeta(21)=-1.16461713923324e-07 Stats: nr=56 min=1 max=270 Emax=8.001313912673167 nrkept=790 nrkeptmult=790 Kept: 790 out of 3176, ratio=0.249 Memory used: 224 MB Time elapsed: 31 s ***** [DM] Iteration 22/30 (scale 0.00083772617549037929) ***** [1] xi(21)=0.0008377263242888455 xi_scaled(21)=1.000000177621842 zeta(22)=1.193430199344007e-07 [2] xi(21)=0.0008377263027596856 xi_scaled(21)=1.000000151922323 zeta(22)=-5.96247245906053e-08 Stats: nr=51 min=1 max=299 Emax=8.005088324430226 nrkept=695 nrkeptmult=695 Kept: 695 out of 3160, ratio=0.22 Memory used: 224 MB Time elapsed: 31 s ***** [DM] Iteration 23/30 (scale 0.00059236185946671895) ***** [1] xi(22)=0.0005923619105254363 xi_scaled(22)=1.000000086195147 zeta(23)=6.106548854920341e-08 [2] xi(22)=0.0005923619025401621 xi_scaled(22)=1.000000072714748 zeta(23)=-3.050935696959595e-08 Stats: nr=53 min=1 max=240 Emax=8.011799065282091 nrkept=704 nrkeptmult=704 Kept: 704 out of 2780, ratio=0.253 Memory used: 224 MB Time elapsed: 32 s ***** [DM] Iteration 24/30 (scale 0.00041886308774518965) ***** [1] xi(23)=0.0004188631058083895 xi_scaled(23)=1.000000043124353 zeta(24)=3.122984410787174e-08 [2] xi(23)=0.0004188631029510228 xi_scaled(23)=1.000000036302634 zeta(24)=-1.560323240530764e-08 Stats: nr=49 min=1 max=270 Emax=8.001205785290802 nrkept=622 nrkeptmult=622 Kept: 622 out of 2816, ratio=0.221 Memory used: 224 MB Time elapsed: 32 s ***** [DM] Iteration 25/30 (scale 0.00029618092973335947) ***** [1] xi(24)=0.0002961809342295745 xi_scaled(24)=1.000000015180636 zeta(25)=1.59635852728599e-08 [2] xi(24)=0.0002961809331014865 xi_scaled(24)=1.000000011371857 zeta(25)=-7.975951488519482e-09 Stats: nr=53 min=1 max=218 Emax=8.002400315844055 nrkept=621 nrkeptmult=621 Kept: 621 out of 2488, ratio=0.25 Memory used: 224 MB Time elapsed: 32 s ***** [DM] Iteration 26/30 (scale 0.00020943154387259482) ***** [1] xi(25)=0.000209431545351913 xi_scaled(25)=1.000000007063493 zeta(26)=8.156228578422771e-09 [2] xi(25)=0.0002094315450100971 xi_scaled(25)=1.00000000543138 zeta(26)=-4.075197211405015e-09 Stats: nr=47 min=1 max=238 Emax=8.001356460733263 nrkept=573 nrkeptmult=573 Kept: 573 out of 2484, ratio=0.231 Memory used: 224 MB Time elapsed: 32 s ***** [DM] Iteration 27/30 (scale 0.00014809046486667974) ***** [1] xi(26)=0.0001480904634563812 xi_scaled(26)=0.9999999904767768 zeta(27)=4.165449150092479e-09 [2] xi(26)=0.0001480904632501828 xi_scaled(26)=0.9999999890843958 zeta(27)=-2.081269652047794e-09 Stats: nr=52 min=1 max=205 Emax=8.003301245211031 nrkept=583 nrkeptmult=583 Kept: 583 out of 2292, ratio=0.254 Memory used: 224 MB Time elapsed: 32 s ***** [DM] Iteration 28/30 (scale 0.00010471577193629741) ***** [1] xi(27)=0.0001047157713116976 xi_scaled(27)=0.9999999940352844 zeta(28)=2.126490193028175e-09 [2] xi(27)=0.000104715771307403 xi_scaled(27)=0.9999999939942725 zeta(28)=-1.062521024557958e-09 Stats: nr=46 min=1 max=216 Emax=8.000789752275253 nrkept=549 nrkeptmult=549 Kept: 549 out of 2332, ratio=0.235 Memory used: 224 MB Time elapsed: 32 s ***** [DM] Iteration 29/30 (scale 7.4045232433339868e-05) ***** [1] xi(28)=7.40452302740937e-05 xi_scaled(28)=0.9999999708388224 zeta(29)=1.085252873488339e-09 [2] xi(28)=7.404523019137008e-05 xi_scaled(28)=0.9999999697216185 zeta(29)=-5.422681086208975e-10 Stats: nr=52 min=1 max=199 Emax=8.008195580419891 nrkept=573 nrkeptmult=573 Kept: 573 out of 2196, ratio=0.261 Memory used: 224 MB Time elapsed: 33 s ***** [DM] Iteration 30/30 (scale 5.2357885968148706e-05) ***** [1] xi(29)=5.235788507599014e-05 xi_scaled(29)=0.9999999829603784 zeta(30)=5.537169944924222e-10 [2] xi(29)=5.235788511680308e-05 xi_scaled(29)=0.9999999837398778 zeta(30)=-2.76682577862372e-10 Stats: nr=46 min=1 max=211 Emax=8.004435230304612 nrkept=2292 nrkeptmult=2292 Kept: 2292 out of 2292, ratio=1 Memory used: 224 MB Time elapsed: 33 s ** Iteration completed. Spectrum: A_d-A_d-d FDM [A_d-A_d-d] pos=0.4421777410653986 neg=0.5578222589340412 sum= 0.9999999999994399 mu1=-0.007219336387219118 mu2=0.03264386265794388 mu3=0.000602658085644801 mu4=0.01171836662018992 f=0.4421777410653986 b=0.4421777410653986 Spectrum: self_d-A_d-d FDM [self_d-A_d-d] pos=-0.0004885186906109043 neg=-0.006613303805265611 sum= -0.007101822495876516 mu1=0.0006324368684812128 mu2=-0.000232919192748625 mu3=3.858480958230645e-05 mu4=-8.179282732749719e-05 f=-0.0004885186906109043 b=-0.0004885186906109043 Spectrum: A_d-A_d-u FDM [A_d-A_d-u] pos=0.6420364499191804 neg=0.3579635500798357 sum= 0.9999999999990161 mu1=0.002944502958743552 mu2=0.002576447714503761 mu3=-6.146661536869018e-05 mu4=0.0007168976035972738 f=0.6420364499191804 b=0.6420364499191804 Spectrum: self_d-A_d-u FDM [self_d-A_d-u] pos=0.004507949030307126 neg=-0.001616836083634468 sum= 0.002891112946672659 mu1=0.0006330747997752201 mu2=4.320814963618782e-05 mu3=5.95077695946448e-05 mu4=1.195054641758282e-05 f=0.004507949030307126 b=0.004507949030307126 Memory usage report =================== after diag: 244328 kB after recalc: 285560 kB after split: 244328 kB after trim: 244328 kB after trunc: 244328 kB diag_h: 144256 kB Peak usage: 285560 kB Timing report ============= All: 33 s DM: 1 s FDM: 3 s diag: 9 s recalc d: 5 s recalc s: 0 s spec d: 8 s Other: 3 s