NRG Ljubljana 2.4.3.32 - (c) Rok Zitko Timestamp: Mon Nov 13 12:55:52 2017 Compiled on Jan 16 2019 at 23:24:35 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. workdir=. substeps=0 Ninit=0 Lambda=3 strategy=kept lastall=1 lastalloverride=0 z=0.25 discretization=Z band=asymode bandrescale=10 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=10 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 specs= specd=A_d-A_d self_d-A_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=0 pol2x2=0 mpi=0 noimag=1 dumpsubspaces=0 done=1 resume=0 forcestop=-1 stopafter= removefiles=1 dump_f=0 rungs=0 >> Input file for NRG Ljubljana, Rok Zitko, rok.zitko@ijs.si, 2005-2015 SYMMETRY TYPE: QS invdim=2 0 Q additive 1 SS additive I=(0 1) [0 (additive), 1 (additive)] singlet QNs=(0 1) mult=1 >> Using sneg version 1.250 V8 >> Number of channels, impurities, chain sites, subspaces: channels=1 impurities=1 Nmax=39 subspaces=6 Reading <||||> (e) Reading <||n_d||> (s) Reading <||A_d||> (d) Reading <||self_d||> (d) Reading <||||> (z) length_coef_table=39 Nmax=39 Number of invariant subspaces: 6 (-2 1) 1 states 0.06753420169519973 (-1 2) 2 states 0.01715156571002326 0.07617859659910611 (0 1) 3 states 0 0.06753420169519957 0.09333016230912919 (0 3) 1 states 0.02579596061392964 (1 2) 2 states 0.01715156571002298 0.07617859659910607 (2 1) 1 states 0.0675342016951994 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) =0.9999999999999999 ***** [NRG] Iteration 1/39 (scale 13.832644937419566) ***** [1] xi(0)=1.576179329926152 xi_scaled(0)=0.1139463448282642 zeta(1)=2.047974483663217e-14 Stats: nr=10 min=1 max=8 Emax=0.5422187464263379 nrkept=35 nrkeptmult=64 Total energy=-4.250159698864135 Egs=-0.1902830817141382 Kept: 35 out of 35, ratio=1 =1 Memory used: 1 MB Time elapsed: 0 s ***** [NRG] Iteration 2/39 (scale 7.9862812782237) ***** [1] xi(1)=2.32883220848177 xi_scaled(1)=0.2916040804663151 zeta(2)=-2.772714748672077e-13 Stats: nr=15 min=1 max=20 Emax=1.656214016523125 nrkept=126 nrkeptmult=256 Total energy=-7.113495496445159 Egs=-0.3585317994482013 Kept: 126 out of 126, ratio=1 =1 Memory used: 1 MB Time elapsed: 0 s ***** [NRG] Iteration 3/39 (scale 4.610881645806522) ***** [1] xi(2)=4.897894957718918 xi_scaled(2)=1.062246948405936 zeta(3)=-2.079351031542836e-12 Stats: nr=21 min=1 max=75 Emax=6.23048768338693 nrkept=462 nrkeptmult=1024 Total energy=-14.86402065187619 Egs=-1.680920429280577 Kept: 462 out of 462, ratio=1 =0.9999999999999992 Memory used: 3 MB Time elapsed: 0 s ***** [NRG] Iteration 4/39 (scale 2.6620937594079002) ***** [1] xi(3)=6.283720923532233 xi_scaled(3)=2.360443129144276 zeta(4)=-3.698132751305055e-12 Stats: nr=28 min=1 max=210 Safeguard: keep additional 9 states Emax=8.003645044472307 nrkept=784 nrkeptmult=1868 Total energy=-22.41386196722502 Egs=-2.836053872508253 Kept: 784 out of 1716, ratio=0.457 =1.000000000000001 Memory used: 9 MB Time elapsed: 0 s ***** [NRG] Iteration 5/39 (scale 1.536960548602174) ***** [1] xi(4)=10.15595818440893 xi_scaled(4)=6.607819695596945 zeta(5)=5.042867026272329e-12 Stats: nr=33 min=2 max=365 Safeguard: keep additional 4 states Emax=8.530616316188011 nrkept=204 nrkeptmult=448 Total energy=-37.73693719163392 Egs=-9.96972579312126 Kept: 204 out of 2940, ratio=0.0694 =1.000000000000011 Memory used: 12 MB Time elapsed: 0 s ***** [NRG] Iteration 6/39 (scale 0.88736458646930017) ***** [1] xi(5)=4.930883511198428 xi_scaled(5)=5.556772927819584 zeta(6)=9.990591133813762e-13 Stats: nr=25 min=2 max=96 Safeguard: keep additional 3 states Emax=10.44804607153003 nrkept=203 nrkeptmult=455 Total energy=-40.86158078465748 Egs=-3.5212624446239 Kept: 203 out of 758, ratio=0.268 =1.000000000000021 Memory used: 12 MB Time elapsed: 0 s ***** [NRG] Iteration 7/39 (scale 0.51232018286739134) ***** [1] xi(6)=0.6397434633544927 xi_scaled(6)=1.248718057082837 zeta(7)=-6.91769138834387e-16 Stats: nr=29 min=1 max=112 Safeguard: keep additional 1 states Emax=10.80053787204769 nrkept=201 nrkeptmult=454 Total energy=-41.6998936034811 Egs=-1.636306448306774 Kept: 201 out of 758, ratio=0.265 =1.000000000000028 Memory used: 12 MB Time elapsed: 0 s ***** [NRG] Iteration 8/39 (scale 0.2957881954897667) ***** [1] xi(7)=0.4379861503691297 xi_scaled(7)=1.48074249428349 zeta(8)=1.233482953092708e-15 Stats: nr=25 min=2 max=94 Emax=11.94660846563358 nrkept=200 nrkeptmult=444 Total energy=-42.11801394061164 Egs=-1.413580202003041 Kept: 200 out of 752, ratio=0.266 =1.000000000000029 Memory used: 12 MB Time elapsed: 0 s ***** [NRG] Iteration 9/39 (scale 0.17077339428913046) ***** [1] xi(8)=0.2151915145390148 xi_scaled(8)=1.260099768086132 zeta(9)=-2.14813597887885e-16 Stats: nr=27 min=1 max=113 Safeguard: keep additional 1 states Emax=13.38754930581531 nrkept=201 nrkeptmult=470 Total energy=-42.38663164858418 Egs=-1.572948228210263 Kept: 201 out of 746, ratio=0.269 =1.000000000000026 Memory used: 12 MB Time elapsed: 0 s ***** [NRG] Iteration 10/39 (scale 0.098596065163255572) ***** [1] xi(9)=0.1405772965523975 xi_scaled(9)=1.425790129855886 zeta(10)=-3.021132854038197e-15 Stats: nr=26 min=1 max=92 Emax=12.82039053234922 nrkept=200 nrkeptmult=504 Total energy=-42.53101431789246 Egs=-1.464385714269749 Kept: 200 out of 752, ratio=0.266 =1.000000000000027 Memory used: 12 MB Time elapsed: 0 s ***** [NRG] Iteration 11/39 (scale 0.056924464763043484) ***** [1] xi(10)=0.07565503889526935 xi_scaled(10)=1.329042604268563 zeta(11)=-8.062788508586769e-16 Stats: nr=31 min=1 max=99 Safeguard: keep additional 1 states Emax=13.35487609324809 nrkept=201 nrkeptmult=478 Total energy=-42.61750942003508 Egs=-1.519471504961514 Kept: 201 out of 758, ratio=0.265 =1.000000000000029 Memory used: 12 MB Time elapsed: 0 s ***** [NRG] Iteration 12/39 (scale 0.032865355054418524) ***** [1] xi(11)=0.04161091468399578 xi_scaled(11)=1.26610269735703 zeta(12)=-1.21306005892411e-16 Stats: nr=26 min=1 max=90 Safeguard: keep additional 2 states Emax=12.53957145251093 nrkept=202 nrkeptmult=504 Total energy=-42.66173498690416 Egs=-1.345659184142493 Kept: 202 out of 752, ratio=0.269 =1.000000000000029 Memory used: 12 MB Time elapsed: 0 s ***** [NRG] Iteration 13/39 (scale 0.01897482158768116) ***** [1] xi(12)=0.02309327330858737 xi_scaled(12)=1.217048244795092 zeta(13)=-6.056690201785548e-17 Stats: nr=31 min=1 max=99 Safeguard: keep additional 1 states Emax=13.30888722116386 nrkept=201 nrkeptmult=474 Total energy=-42.68587840598707 Egs=-1.272392415988777 Kept: 201 out of 763, ratio=0.263 =1.00000000000003 Memory used: 12 MB Time elapsed: 1 s ***** [NRG] Iteration 14/39 (scale 0.01095511835147284) ***** [1] xi(13)=0.01319584658561644 xi_scaled(13)=1.204537108797401 zeta(14)=-1.929485370835882e-17 Stats: nr=26 min=1 max=91 Emax=12.29449271000934 nrkept=200 nrkeptmult=482 Total energy=-42.70180945016134 Egs=-1.454210138417489 Kept: 200 out of 752, ratio=0.266 =1.000000000000031 Memory used: 12 MB Time elapsed: 1 s ***** [NRG] Iteration 15/39 (scale 0.0063249405292270539) ***** [1] xi(14)=0.007557191792483098 xi_scaled(14)=1.194824165944629 zeta(15)=-1.012495116776073e-17 Stats: nr=29 min=1 max=102 Safeguard: keep additional 1 states Emax=13.24255398543058 nrkept=201 nrkeptmult=466 Total energy=-42.70863351636429 Egs=-1.078913891983569 Kept: 201 out of 754, ratio=0.267 =1.000000000000032 Memory used: 12 MB Time elapsed: 1 s ***** [NRG] Iteration 16/39 (scale 0.0036517061171576137) ***** [1] xi(15)=0.004350594359676331 xi_scaled(15)=1.191386771031485 zeta(16)=-4.104433547659052e-18 Stats: nr=26 min=1 max=94 Safeguard: keep additional 3 states Emax=12.78858646994203 nrkept=203 nrkeptmult=485 Total energy=-42.71465661699222 Egs=-1.649393580614701 Kept: 203 out of 752, ratio=0.27 =1.000000000000034 Memory used: 12 MB Time elapsed: 1 s ***** [NRG] Iteration 17/39 (scale 0.0021083135097423513) ***** [1] xi(16)=0.002508382385943524 xi_scaled(16)=1.189757772908292 zeta(17)=-1.385590473875049e-18 Stats: nr=29 min=1 max=106 Safeguard: keep additional 3 states Emax=13.34232866463446 nrkept=203 nrkeptmult=472 Total energy=-42.71659018408968 Egs=-0.9171155468694946 Kept: 203 out of 765, ratio=0.265 =1.000000000000034 Memory used: 12 MB Time elapsed: 1 s ***** [NRG] Iteration 18/39 (scale 0.0012172353723858712) ***** [1] xi(17)=0.001447283613686106 xi_scaled(17)=1.188992405675267 zeta(18)=-5.11670478369857e-19 Stats: nr=26 min=1 max=94 Emax=13.54119870442727 nrkept=200 nrkeptmult=464 Total energy=-42.7188321395527 Egs=-1.841842189171776 Kept: 200 out of 760, ratio=0.263 =1.000000000000034 Memory used: 13 MB Time elapsed: 1 s ***** [NRG] Iteration 19/39 (scale 0.0007027711699141171) ***** [1] xi(18)=0.0008354674582422698 xi_scaled(18)=1.188818628323027 zeta(19)=-1.480603253041485e-19 Stats: nr=29 min=1 max=107 Emax=13.94560269942112 nrkept=200 nrkeptmult=452 Total energy=-42.71940693441166 Egs=-0.8178976081644694 Kept: 200 out of 750, ratio=0.267 =1.000000000000035 Memory used: 13 MB Time elapsed: 1 s ***** [NRG] Iteration 20/39 (scale 0.00040574512412862372) ***** [1] xi(19)=0.0004823153899220884 xi_scaled(19)=1.188715184089782 zeta(20)=-3.408882091814383e-20 Stats: nr=26 min=1 max=93 Safeguard: keep additional 4 states Emax=14.6974889867136 nrkept=204 nrkeptmult=464 Total energy=-42.72020317709502 Egs=-1.962420830261011 Kept: 204 out of 744, ratio=0.274 =1.000000000000035 Memory used: 13 MB Time elapsed: 1 s ***** [NRG] Iteration 21/39 (scale 0.00023425705663803904) ***** [1] xi(20)=0.0002784659273617132 xi_scaled(20)=1.188719483451819 zeta(21)=-1.861231604355933e-20 Stats: nr=29 min=1 max=111 Emax=14.28523984610834 nrkept=200 nrkeptmult=440 Total energy=-42.72038428998903 Egs=-0.7731374098231054 Kept: 200 out of 762, ratio=0.262 =1.000000000000035 Memory used: 13 MB Time elapsed: 1 s ***** [NRG] Iteration 22/39 (scale 0.00013524837470954126) ***** [1] xi(21)=0.0001607708749172517 xi_scaled(21)=1.188708369047114 zeta(22)=-1.039783784472015e-21 Stats: nr=25 min=2 max=94 Safeguard: keep additional 1 states Emax=15.4648019478869 nrkept=201 nrkeptmult=449 Total energy=-42.7206569151048 Egs=-2.015736724025777 Kept: 201 out of 744, ratio=0.27 =1.000000000000036 Memory used: 13 MB Time elapsed: 1 s ***** [NRG] Iteration 23/39 (scale 7.8085685546013005e-05) ***** [1] xi(22)=9.282180901659788e-05 xi_scaled(22)=1.188717347712871 zeta(23)=-5.098759818175673e-21 Stats: nr=27 min=1 max=112 Emax=14.34061815885121 nrkept=200 nrkeptmult=440 Total energy=-42.72071596503537 Egs=-0.7562196599679996 Kept: 200 out of 750, ratio=0.267 =1.000000000000036 Memory used: 13 MB Time elapsed: 1 s ***** [NRG] Iteration 24/39 (scale 4.5082791569847077e-05) ***** [1] xi(23)=5.35906444742754e-05 xi_scaled(23)=1.188716195430069 zeta(24)=1.439468980643349e-21 Stats: nr=25 min=2 max=94 Safeguard: keep additional 1 states Emax=15.90977360210561 nrkept=201 nrkeptmult=449 Total energy=-42.7208077306326 Egs=-2.035490572741202 Kept: 201 out of 744, ratio=0.27 =1.000000000000035 Memory used: 13 MB Time elapsed: 1 s ***** [NRG] Iteration 25/39 (scale 2.6028561848671004e-05) ***** [1] xi(24)=3.094067068122436e-05 xi_scaled(24)=1.188719947767846 zeta(25)=-2.293372832924164e-21 Stats: nr=27 min=1 max=112 Emax=14.35966954014702 nrkept=200 nrkeptmult=440 Total energy=-42.7208272600901 Egs=-0.7503087420093745 Kept: 200 out of 750, ratio=0.267 =1.000000000000036 Memory used: 13 MB Time elapsed: 1 s ***** [NRG] Iteration 26/39 (scale 1.5027597189949027e-05) ***** [1] xi(25)=1.786360410501336e-05 xi_scaled(25)=1.188719918375318 zeta(26)=7.815575703406009e-22 Stats: nr=25 min=2 max=94 Safeguard: keep additional 1 states Emax=16.07689167941798 nrkept=201 nrkeptmult=449 Total energy=-42.72085795129338 Egs=-2.042322727524151 Kept: 201 out of 744, ratio=0.27 =1.000000000000034 Memory used: 13 MB Time elapsed: 1 s ***** [NRG] Iteration 27/39 (scale 8.6761872828903336e-06) ***** [1] xi(26)=1.03135671094653e-05 xi_scaled(26)=1.188721125211753 zeta(27)=-1.28525399042936e-21 Stats: nr=27 min=1 max=112 Emax=14.36600971307692 nrkept=200 nrkeptmult=440 Total energy=-42.72086444372712 Egs=-0.7483049337092508 Kept: 200 out of 750, ratio=0.267 =1.000000000000033 Memory used: 13 MB Time elapsed: 1 s ***** [NRG] Iteration 28/39 (scale 5.009199063316343e-06) ***** [1] xi(27)=5.954542100852992e-06 xi_scaled(27)=1.18872139549407 zeta(28)=7.026279178832607e-22 Stats: nr=25 min=2 max=94 Safeguard: keep additional 1 states Emax=16.13454566208286 nrkept=201 nrkeptmult=449 Total energy=-42.72087468568373 Egs=-2.044629585264914 Kept: 201 out of 744, ratio=0.27 =1.000000000000034 Memory used: 13 MB Time elapsed: 1 s ***** [NRG] Iteration 29/39 (scale 2.8920624276301116e-06) ***** [1] xi(28)=3.437856640066681e-06 xi_scaled(28)=1.18872144917142 zeta(29)=-8.915335208719082e-22 Stats: nr=27 min=1 max=112 Emax=14.36813281581808 nrkept=200 nrkeptmult=440 Total energy=-42.72087684788416 Egs=-0.7476326958522758 Kept: 200 out of 750, ratio=0.267 =1.000000000000034 Memory used: 13 MB Time elapsed: 1 s ***** [NRG] Iteration 30/39 (scale 1.6697330211054477e-06) ***** [1] xi(29)=1.984848691982998e-06 xi_scaled(29)=1.18872218905327 zeta(30)=6.40164596281335e-22 Stats: nr=25 min=2 max=94 Safeguard: keep additional 1 states Emax=16.15398385004823 nrkept=201 nrkeptmult=449 Total energy=-42.72088026316055 Egs=-2.045402674661974 Kept: 201 out of 744, ratio=0.27 =1.000000000000034 Memory used: 13 MB Time elapsed: 1 s ***** [NRG] Iteration 31/39 (scale 9.6402080921003706e-07) ***** [1] xi(30)=1.145952338478503e-06 xi_scaled(30)=1.188721578964202 zeta(31)=-3.819228460369135e-22 Stats: nr=27 min=1 max=112 Emax=14.36884790267708 nrkept=200 nrkeptmult=440 Total energy=-42.7208809836773 Egs=-0.7474078897698339 Kept: 200 out of 750, ratio=0.267 =1.000000000000033 Memory used: 13 MB Time elapsed: 1 s ***** [NRG] Iteration 32/39 (scale 5.5657767370181582e-07) ***** [1] xi(31)=6.616164767901217e-07 xi_scaled(31)=1.188722631272091 zeta(32)=-2.211665973285043e-22 Stats: nr=25 min=2 max=94 Safeguard: keep additional 1 states Emax=16.16014714586866 nrkept=201 nrkeptmult=443 Total energy=-42.72088212224671 Egs=-2.045661287950717 Kept: 201 out of 744, ratio=0.27 =1.000000000000036 Memory used: 13 MB Time elapsed: 1 s ***** [NRG] Iteration 33/39 (scale 3.2134026973667913e-07) ***** [1] xi(32)=3.819843487293164e-07 xi_scaled(32)=1.188722313086784 zeta(33)=-9.300081644237626e-23 Stats: nr=27 min=1 max=112 Emax=14.36909201333332 nrkept=200 nrkeptmult=440 Total energy=-42.72088236239506 Egs=-0.74733350265623 Kept: 200 out of 747, ratio=0.268 =1.000000000000036 Memory used: 13 MB Time elapsed: 1 s ***** [NRG] Iteration 34/39 (scale 1.8552589123393861e-07) ***** [1] xi(33)=2.205386924520076e-07 xi_scaled(33)=1.188721913611075 zeta(34)=-3.398092063597119e-23 Stats: nr=25 min=2 max=94 Safeguard: keep additional 1 states Emax=16.16248801154669 nrkept=201 nrkeptmult=443 Total energy=-42.72088274193388 Egs=-2.045745825407765 Kept: 201 out of 744, ratio=0.27 =1.000000000000035 Memory used: 13 MB Time elapsed: 1 s ***** [NRG] Iteration 35/39 (scale 1.0711342324555968e-07) ***** [1] xi(34)=1.273280641105968e-07 xi_scaled(34)=1.188721826382998 zeta(35)=-1.145418505266484e-23 Stats: nr=27 min=1 max=112 Emax=14.3691768565869 nrkept=200 nrkeptmult=440 Total energy=-42.72088282198064 Egs=-0.7473083723284486 Kept: 200 out of 747, ratio=0.268 =1.000000000000035 Memory used: 13 MB Time elapsed: 1 s ***** [NRG] Iteration 36/39 (scale 6.1841963744646202e-08) ***** [1] xi(35)=7.351289235881984e-08 xi_scaled(35)=1.18872183073559 zeta(36)=-3.81971105301409e-24 Stats: nr=25 min=2 max=94 Safeguard: keep additional 1 states Emax=16.16332995398948 nrkept=201 nrkeptmult=443 Total energy=-42.72088294849534 Egs=-2.045774249089999 Kept: 201 out of 744, ratio=0.27 =1.000000000000034 Memory used: 13 MB Time elapsed: 1 s ***** [NRG] Iteration 37/39 (scale 3.5704474415186565e-08) ***** [1] xi(36)=4.244268612470385e-08 xi_scaled(36)=1.188721772827756 zeta(37)=-1.273243776858535e-24 Stats: nr=27 min=1 max=112 Emax=14.36919712899025 nrkept=200 nrkeptmult=440 Total energy=-42.72088297517729 Egs=-0.747300065442037 Kept: 200 out of 747, ratio=0.268 =1.000000000000034 Memory used: 13 MB Time elapsed: 1 s ***** [NRG] Iteration 38/39 (scale 2.0613987914882067e-08) ***** [1] xi(37)=2.450429649946127e-08 xi_scaled(37)=1.188721784481626 zeta(38)=-4.24414643582629e-25 Stats: nr=25 min=2 max=94 Safeguard: keep additional 2 states Emax=16.16361436837384 nrkept=202 nrkeptmult=446 Total energy=-42.72088301734905 Egs=-2.045783674855047 Kept: 202 out of 744, ratio=0.272 =1.000000000000035 Memory used: 13 MB Time elapsed: 1 s ***** [NRG] Iteration 39/39 (scale 1.1901491471728852e-08) ***** [1] xi(38)=1.414756090036929e-08 xi_scaled(38)=1.188721676940728 zeta(39)=-1.414715209561887e-25 Stats: nr=27 min=1 max=113 Emax=14.36920417255799 nrkept=751 nrkeptmult=1784 Total energy=-42.720883026243 Egs=-0.7472972222620181 Kept: 751 out of 751, ratio=1 =1.000000000000033 Memory used: 13 MB Time elapsed: 1 s ** Iteration completed. Total energy: -42.720883026243 TKW=0.002271889954946161 Grand canonical Z= 5.677508063675319 Zft (last shell)= 5.677508698354159 Calculating density matrices. [DM] 38 [DM] 37 [DM] 36 [DM] 35 [DM] 34 [DM] 33 [DM] 32 [DM] 31 [DM] 30 [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] 38 [FDM] 37 [FDM] 36 [FDM] 35 [FDM] 34 [FDM] 33 [FDM] 32 [FDM] 31 [FDM] 30 [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: QS >> Using sneg version 1.250 V8 >> Number of channels, impurities, chain sites, subspaces: channels=1 impurities=1 Nmax=39 subspaces=6 Reading <||||> (e) Reading <||n_d||> (s) Reading <||A_d||> (d) Reading <||self_d||> (d) Reading <||||> (z) Number of invariant subspaces: 6 (-2 1) 1 states 0.06753420169519973 (-1 2) 2 states 0.01715156571002326 0.07617859659910611 (0 1) 3 states 0 0.06753420169519957 0.09333016230912919 (0 3) 1 states 0.02579596061392964 (1 2) 2 states 0.01715156571002298 0.07617859659910607 (2 1) 1 states 0.0675342016951994 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 FDM Spectrum: self_d-A_d FDM ***** [DM] Iteration 1/39 (scale 13.832644937419566) ***** [1] xi(0)=1.576179329926152 xi_scaled(0)=0.1139463448282642 zeta(1)=2.047974483663217e-14 Stats: nr=10 min=1 max=8 Emax=0.5422187464263379 nrkept=35 nrkeptmult=64 Kept: 35 out of 35, ratio=1 Memory used: 17 MB Time elapsed: 2 s ***** [DM] Iteration 2/39 (scale 7.9862812782237) ***** [1] xi(1)=2.32883220848177 xi_scaled(1)=0.2916040804663151 zeta(2)=-2.772714748672077e-13 Stats: nr=15 min=1 max=20 Emax=1.656214016523125 nrkept=126 nrkeptmult=256 Kept: 126 out of 126, ratio=1 Memory used: 17 MB Time elapsed: 2 s ***** [DM] Iteration 3/39 (scale 4.610881645806522) ***** [1] xi(2)=4.897894957718918 xi_scaled(2)=1.062246948405936 zeta(3)=-2.079351031542836e-12 Stats: nr=21 min=1 max=75 Emax=6.23048768338693 nrkept=462 nrkeptmult=1024 Kept: 462 out of 462, ratio=1 Memory used: 17 MB Time elapsed: 2 s ***** [DM] Iteration 4/39 (scale 2.6620937594079002) ***** [1] xi(3)=6.283720923532233 xi_scaled(3)=2.360443129144276 zeta(4)=-3.698132751305055e-12 Stats: nr=28 min=1 max=210 Safeguard: keep additional 9 states Emax=8.003645044472307 nrkept=784 nrkeptmult=1868 Kept: 784 out of 1716, ratio=0.457 Memory used: 18 MB Time elapsed: 2 s ***** [DM] Iteration 5/39 (scale 1.536960548602174) ***** [1] xi(4)=10.15595818440893 xi_scaled(4)=6.607819695596945 zeta(5)=5.042867026272329e-12 Stats: nr=33 min=2 max=365 Safeguard: keep additional 4 states Emax=8.530616316188011 nrkept=204 nrkeptmult=448 Kept: 204 out of 2940, ratio=0.0694 Memory used: 21 MB Time elapsed: 2 s ***** [DM] Iteration 6/39 (scale 0.88736458646930017) ***** [1] xi(5)=4.930883511198428 xi_scaled(5)=5.556772927819584 zeta(6)=9.990591133813762e-13 Stats: nr=25 min=2 max=96 Safeguard: keep additional 3 states Emax=10.44804607153003 nrkept=203 nrkeptmult=455 Kept: 203 out of 758, ratio=0.268 Memory used: 21 MB Time elapsed: 2 s ***** [DM] Iteration 7/39 (scale 0.51232018286739134) ***** [1] xi(6)=0.6397434633544927 xi_scaled(6)=1.248718057082837 zeta(7)=-6.91769138834387e-16 Stats: nr=29 min=1 max=112 Safeguard: keep additional 1 states Emax=10.80053787204769 nrkept=201 nrkeptmult=454 Kept: 201 out of 758, ratio=0.265 Memory used: 21 MB Time elapsed: 2 s ***** [DM] Iteration 8/39 (scale 0.2957881954897667) ***** [1] xi(7)=0.4379861503691297 xi_scaled(7)=1.48074249428349 zeta(8)=1.233482953092708e-15 Stats: nr=25 min=2 max=94 Emax=11.94660846563358 nrkept=200 nrkeptmult=444 Kept: 200 out of 752, ratio=0.266 Memory used: 21 MB Time elapsed: 2 s ***** [DM] Iteration 9/39 (scale 0.17077339428913046) ***** [1] xi(8)=0.2151915145390148 xi_scaled(8)=1.260099768086132 zeta(9)=-2.14813597887885e-16 Stats: nr=27 min=1 max=113 Safeguard: keep additional 1 states Emax=13.38754930581531 nrkept=201 nrkeptmult=470 Kept: 201 out of 746, ratio=0.269 Memory used: 21 MB Time elapsed: 3 s ***** [DM] Iteration 10/39 (scale 0.098596065163255572) ***** [1] xi(9)=0.1405772965523975 xi_scaled(9)=1.425790129855886 zeta(10)=-3.021132854038197e-15 Stats: nr=26 min=1 max=92 Emax=12.82039053234922 nrkept=200 nrkeptmult=504 Kept: 200 out of 752, ratio=0.266 Memory used: 21 MB Time elapsed: 3 s ***** [DM] Iteration 11/39 (scale 0.056924464763043484) ***** [1] xi(10)=0.07565503889526935 xi_scaled(10)=1.329042604268563 zeta(11)=-8.062788508586769e-16 Stats: nr=31 min=1 max=99 Safeguard: keep additional 1 states Emax=13.35487609324809 nrkept=201 nrkeptmult=478 Kept: 201 out of 758, ratio=0.265 Memory used: 21 MB Time elapsed: 3 s ***** [DM] Iteration 12/39 (scale 0.032865355054418524) ***** [1] xi(11)=0.04161091468399578 xi_scaled(11)=1.26610269735703 zeta(12)=-1.21306005892411e-16 Stats: nr=26 min=1 max=90 Safeguard: keep additional 2 states Emax=12.53957145251093 nrkept=202 nrkeptmult=504 Kept: 202 out of 752, ratio=0.269 Memory used: 21 MB Time elapsed: 3 s ***** [DM] Iteration 13/39 (scale 0.01897482158768116) ***** [1] xi(12)=0.02309327330858737 xi_scaled(12)=1.217048244795092 zeta(13)=-6.056690201785548e-17 Stats: nr=31 min=1 max=99 Safeguard: keep additional 1 states Emax=13.30888722116386 nrkept=201 nrkeptmult=474 Kept: 201 out of 763, ratio=0.263 Memory used: 21 MB Time elapsed: 3 s ***** [DM] Iteration 14/39 (scale 0.01095511835147284) ***** [1] xi(13)=0.01319584658561644 xi_scaled(13)=1.204537108797401 zeta(14)=-1.929485370835882e-17 Stats: nr=26 min=1 max=91 Emax=12.29449271000934 nrkept=200 nrkeptmult=482 Kept: 200 out of 752, ratio=0.266 Memory used: 21 MB Time elapsed: 3 s ***** [DM] Iteration 15/39 (scale 0.0063249405292270539) ***** [1] xi(14)=0.007557191792483098 xi_scaled(14)=1.194824165944629 zeta(15)=-1.012495116776073e-17 Stats: nr=29 min=1 max=102 Safeguard: keep additional 1 states Emax=13.24255398543058 nrkept=201 nrkeptmult=466 Kept: 201 out of 754, ratio=0.267 Memory used: 21 MB Time elapsed: 3 s ***** [DM] Iteration 16/39 (scale 0.0036517061171576137) ***** [1] xi(15)=0.004350594359676331 xi_scaled(15)=1.191386771031485 zeta(16)=-4.104433547659052e-18 Stats: nr=26 min=1 max=94 Safeguard: keep additional 3 states Emax=12.78858646994203 nrkept=203 nrkeptmult=485 Kept: 203 out of 752, ratio=0.27 Memory used: 21 MB Time elapsed: 3 s ***** [DM] Iteration 17/39 (scale 0.0021083135097423513) ***** [1] xi(16)=0.002508382385943524 xi_scaled(16)=1.189757772908292 zeta(17)=-1.385590473875049e-18 Stats: nr=29 min=1 max=106 Safeguard: keep additional 3 states Emax=13.34232866463446 nrkept=203 nrkeptmult=472 Kept: 203 out of 765, ratio=0.265 Memory used: 21 MB Time elapsed: 3 s ***** [DM] Iteration 18/39 (scale 0.0012172353723858712) ***** [1] xi(17)=0.001447283613686106 xi_scaled(17)=1.188992405675267 zeta(18)=-5.11670478369857e-19 Stats: nr=26 min=1 max=94 Emax=13.54119870442727 nrkept=200 nrkeptmult=464 Kept: 200 out of 760, ratio=0.263 Memory used: 21 MB Time elapsed: 3 s ***** [DM] Iteration 19/39 (scale 0.0007027711699141171) ***** [1] xi(18)=0.0008354674582422698 xi_scaled(18)=1.188818628323027 zeta(19)=-1.480603253041485e-19 Stats: nr=29 min=1 max=107 Emax=13.94560269942112 nrkept=200 nrkeptmult=452 Kept: 200 out of 750, ratio=0.267 Memory used: 21 MB Time elapsed: 3 s ***** [DM] Iteration 20/39 (scale 0.00040574512412862372) ***** [1] xi(19)=0.0004823153899220884 xi_scaled(19)=1.188715184089782 zeta(20)=-3.408882091814383e-20 Stats: nr=26 min=1 max=93 Safeguard: keep additional 4 states Emax=14.6974889867136 nrkept=204 nrkeptmult=464 Kept: 204 out of 744, ratio=0.274 Memory used: 22 MB Time elapsed: 3 s ***** [DM] Iteration 21/39 (scale 0.00023425705663803904) ***** [1] xi(20)=0.0002784659273617132 xi_scaled(20)=1.188719483451819 zeta(21)=-1.861231604355933e-20 Stats: nr=29 min=1 max=111 Emax=14.28523984610834 nrkept=200 nrkeptmult=440 Kept: 200 out of 762, ratio=0.262 Memory used: 22 MB Time elapsed: 3 s ***** [DM] Iteration 22/39 (scale 0.00013524837470954126) ***** [1] xi(21)=0.0001607708749172517 xi_scaled(21)=1.188708369047114 zeta(22)=-1.039783784472015e-21 Stats: nr=25 min=2 max=94 Safeguard: keep additional 1 states Emax=15.4648019478869 nrkept=201 nrkeptmult=449 Kept: 201 out of 744, ratio=0.27 Memory used: 22 MB Time elapsed: 3 s ***** [DM] Iteration 23/39 (scale 7.8085685546013005e-05) ***** [1] xi(22)=9.282180901659788e-05 xi_scaled(22)=1.188717347712871 zeta(23)=-5.098759818175673e-21 Stats: nr=27 min=1 max=112 Emax=14.34061815885121 nrkept=200 nrkeptmult=440 Kept: 200 out of 750, ratio=0.267 Memory used: 22 MB Time elapsed: 3 s ***** [DM] Iteration 24/39 (scale 4.5082791569847077e-05) ***** [1] xi(23)=5.35906444742754e-05 xi_scaled(23)=1.188716195430069 zeta(24)=1.439468980643349e-21 Stats: nr=25 min=2 max=94 Safeguard: keep additional 1 states Emax=15.90977360210561 nrkept=201 nrkeptmult=449 Kept: 201 out of 744, ratio=0.27 Memory used: 22 MB Time elapsed: 3 s ***** [DM] Iteration 25/39 (scale 2.6028561848671004e-05) ***** [1] xi(24)=3.094067068122436e-05 xi_scaled(24)=1.188719947767846 zeta(25)=-2.293372832924164e-21 Stats: nr=27 min=1 max=112 Emax=14.35966954014702 nrkept=200 nrkeptmult=440 Kept: 200 out of 750, ratio=0.267 Memory used: 22 MB Time elapsed: 3 s ***** [DM] Iteration 26/39 (scale 1.5027597189949027e-05) ***** [1] xi(25)=1.786360410501336e-05 xi_scaled(25)=1.188719918375318 zeta(26)=7.815575703406009e-22 Stats: nr=25 min=2 max=94 Safeguard: keep additional 1 states Emax=16.07689167941798 nrkept=201 nrkeptmult=449 Kept: 201 out of 744, ratio=0.27 Memory used: 22 MB Time elapsed: 3 s ***** [DM] Iteration 27/39 (scale 8.6761872828903336e-06) ***** [1] xi(26)=1.03135671094653e-05 xi_scaled(26)=1.188721125211753 zeta(27)=-1.28525399042936e-21 Stats: nr=27 min=1 max=112 Emax=14.36600971307692 nrkept=200 nrkeptmult=440 Kept: 200 out of 750, ratio=0.267 Memory used: 23 MB Time elapsed: 3 s ***** [DM] Iteration 28/39 (scale 5.009199063316343e-06) ***** [1] xi(27)=5.954542100852992e-06 xi_scaled(27)=1.18872139549407 zeta(28)=7.026279178832607e-22 Stats: nr=25 min=2 max=94 Safeguard: keep additional 1 states Emax=16.13454566208286 nrkept=201 nrkeptmult=449 Kept: 201 out of 744, ratio=0.27 Memory used: 23 MB Time elapsed: 3 s ***** [DM] Iteration 29/39 (scale 2.8920624276301116e-06) ***** [1] xi(28)=3.437856640066681e-06 xi_scaled(28)=1.18872144917142 zeta(29)=-8.915335208719082e-22 Stats: nr=27 min=1 max=112 Emax=14.36813281581808 nrkept=200 nrkeptmult=440 Kept: 200 out of 750, ratio=0.267 Memory used: 23 MB Time elapsed: 3 s ***** [DM] Iteration 30/39 (scale 1.6697330211054477e-06) ***** [1] xi(29)=1.984848691982998e-06 xi_scaled(29)=1.18872218905327 zeta(30)=6.40164596281335e-22 Stats: nr=25 min=2 max=94 Safeguard: keep additional 1 states Emax=16.15398385004823 nrkept=201 nrkeptmult=449 Kept: 201 out of 744, ratio=0.27 Memory used: 23 MB Time elapsed: 3 s ***** [DM] Iteration 31/39 (scale 9.6402080921003706e-07) ***** [1] xi(30)=1.145952338478503e-06 xi_scaled(30)=1.188721578964202 zeta(31)=-3.819228460369135e-22 Stats: nr=27 min=1 max=112 Emax=14.36884790267708 nrkept=200 nrkeptmult=440 Kept: 200 out of 750, ratio=0.267 Memory used: 23 MB Time elapsed: 3 s ***** [DM] Iteration 32/39 (scale 5.5657767370181582e-07) ***** [1] xi(31)=6.616164767901217e-07 xi_scaled(31)=1.188722631272091 zeta(32)=-2.211665973285043e-22 Stats: nr=25 min=2 max=94 Safeguard: keep additional 1 states Emax=16.16014714586866 nrkept=201 nrkeptmult=443 Kept: 201 out of 744, ratio=0.27 Memory used: 23 MB Time elapsed: 3 s ***** [DM] Iteration 33/39 (scale 3.2134026973667913e-07) ***** [1] xi(32)=3.819843487293164e-07 xi_scaled(32)=1.188722313086784 zeta(33)=-9.300081644237626e-23 Stats: nr=27 min=1 max=112 Emax=14.36909201333332 nrkept=200 nrkeptmult=440 Kept: 200 out of 747, ratio=0.268 Memory used: 24 MB Time elapsed: 3 s ***** [DM] Iteration 34/39 (scale 1.8552589123393861e-07) ***** [1] xi(33)=2.205386924520076e-07 xi_scaled(33)=1.188721913611075 zeta(34)=-3.398092063597119e-23 Stats: nr=25 min=2 max=94 Safeguard: keep additional 1 states Emax=16.16248801154669 nrkept=201 nrkeptmult=443 Kept: 201 out of 744, ratio=0.27 Memory used: 24 MB Time elapsed: 3 s ***** [DM] Iteration 35/39 (scale 1.0711342324555968e-07) ***** [1] xi(34)=1.273280641105968e-07 xi_scaled(34)=1.188721826382998 zeta(35)=-1.145418505266484e-23 Stats: nr=27 min=1 max=112 Emax=14.3691768565869 nrkept=200 nrkeptmult=440 Kept: 200 out of 747, ratio=0.268 Memory used: 24 MB Time elapsed: 3 s ***** [DM] Iteration 36/39 (scale 6.1841963744646202e-08) ***** [1] xi(35)=7.351289235881984e-08 xi_scaled(35)=1.18872183073559 zeta(36)=-3.81971105301409e-24 Stats: nr=25 min=2 max=94 Safeguard: keep additional 1 states Emax=16.16332995398948 nrkept=201 nrkeptmult=443 Kept: 201 out of 744, ratio=0.27 Memory used: 24 MB Time elapsed: 3 s ***** [DM] Iteration 37/39 (scale 3.5704474415186565e-08) ***** [1] xi(36)=4.244268612470385e-08 xi_scaled(36)=1.188721772827756 zeta(37)=-1.273243776858535e-24 Stats: nr=27 min=1 max=112 Emax=14.36919712899025 nrkept=200 nrkeptmult=440 Kept: 200 out of 747, ratio=0.268 Memory used: 24 MB Time elapsed: 3 s ***** [DM] Iteration 38/39 (scale 2.0613987914882067e-08) ***** [1] xi(37)=2.450429649946127e-08 xi_scaled(37)=1.188721784481626 zeta(38)=-4.24414643582629e-25 Stats: nr=25 min=2 max=94 Safeguard: keep additional 2 states Emax=16.16361436837384 nrkept=202 nrkeptmult=446 Kept: 202 out of 744, ratio=0.272 Memory used: 25 MB Time elapsed: 3 s ***** [DM] Iteration 39/39 (scale 1.1901491471728852e-08) ***** [1] xi(38)=1.414756090036929e-08 xi_scaled(38)=1.188721676940728 zeta(39)=-1.414715209561887e-25 Stats: nr=27 min=1 max=113 Emax=14.36920417255799 nrkept=751 nrkeptmult=1784 Kept: 751 out of 751, ratio=1 Memory used: 25 MB Time elapsed: 4 s ** Iteration completed. Spectrum: A_d-A_d FDM [A_d-A_d] pos=0.4999999999994355 neg=0.4999999999994753 sum= 0.9999999999989108 mu1=-1.381117442633695e-13 mu2=3.275658981801841 mu3=-5.666578317686799e-12 mu4=126.8813610900569 f=0.4999999999994351 b=0.4999999999995026 Spectrum: self_d-A_d FDM [self_d-A_d] pos=0.4270743264204542 neg=-0.4270743264204147 sum= 3.946842852542432e-14 mu1=1.522138556326761 mu2=-9.992007221626409e-14 mu3=5.967218965785433 mu4=1.574411712113033e-10 f=0.427074326420452 b=0.427074326421485 Memory usage report =================== after diag: 25812 kB after recalc: 32908 kB after split: 25812 kB after trim: 26088 kB after trunc: 25812 kB diag_h: 17044 kB Peak usage: 32908 kB Timing report ============= All: 4 s DM: 0 s FDM: 0 s diag: 1 s recalc d: 0 s recalc f: 0 s spec d: 0 s Other: 1 s