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=0.75 discretization=Z band=manual_V bandrescale=1 betabar=1 T=1e-08 keep=10000 keepenergy=8 keepmin=200 log= logall=0 logenumber=10 smooth=old alpha=0.3 omega0=-1 omega0_ratio=1 brcut=0 loggauss_b=0.3 gauss_b=0.1 limitLL=0 eta=0 finite=0 bins=300 accumulation=0 linstep=0 discard_trim=1e-16 discard_immediately=1e-16 NN1=0 NN2even=1 NN2avg=0 NNtanh=0 goodE=2 savebins=1 broaden=0 broaden_max=2 broaden_min=1e-06 broaden_min_ratio=3 broaden_ratio=1.01 dumpenergies=0 dumpannotated=0 dumpscaled=1 dumpabs=0 dumpprecision=8 dumpgroups=1 grouptol=1e-06 dumpdiagonal=0 ops=A_d self_d n_d SZd specs= specd=A_d-A_d-u self_d-A_d-u A_d-A_d-d self_d-A_d-d spect= specq= specot= reim=0 specgt= gtp=0.7 speci1t= speci2t= specchit= chitp=1 chitp_ratio=-999 dm=1 T0opt=-1 dmnrg=0 cfs=0 cfsgt=0 cfsls=0 fdm=1 fdmgt=0 fdmls=0 fdmexpv=0 fdmexpvn=0 cfsold=0 fdmold=0 width_td=12 width_custom=12 prec_td=6 prec_custom=6 prec_xy=6 safeguard=1e-05 safeguardmax=200 fixeps=1e-15 diag=dsyev diagratio=1 dsyevrlimit=100 zheevrlimit=100 restart=1 restartfactor=2 checkdiag=0 checkrho=0 calc0=1 tdht=0 spin=2 tri=manual preccpp=2000 checksumrules=0 globalB=0 globalBx=0 polarized=1 pol2x2=0 mpi=0 noimag=1 dumpsubspaces=0 done=1 resume=0 forcestop=-1 stopafter= removefiles=1 dump_f=0 rungs=0 >> Input file for NRG Ljubljana, Rok Zitko, rok.zitko@ijs.si, 2005-2015 SYMMETRY TYPE: QSZ invdim=2 0 Q additive 1 SSZ additive I=(0 0) [0 (additive), 0 (additive)] singlet QNs=(0 0) mult=1 >> Using sneg version 1.250 V8 >> Number of channels, impurities, chain sites, subspaces: channels=1 impurities=1 Nmax=30 subspaces=9 Reading <||||> (e) Reading <||n_d||> (s) Reading <||A_d||> (d) Reading <||self_d||> (d) Reading <||SZd||> (s) Reading <||||> (z) length_coef_table=30 Nmax=30 Number of invariant subspaces: 9 (-2 1) 1 states 0.2184326384909567 (-1 0) 2 states 0.07313855063976438 0.3710883907099455 (-1 2) 2 states 0.1400561844469404 0.2202631502388343 (0 -1) 1 states 0.2257943028587532 (0 1) 4 states 0 0.09223926073148962 0.2972453204095106 0.3870921949094402 (0 3) 1 states 0.141886696194818 (1 0) 2 states 0.1555831512472739 0.2606742901173918 (1 2) 2 states 0.01914717290011917 0.3132026618006113 (2 1) 1 states 0.1904631385059125 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) =-7.093512288970964e-06 =1.000010909423938 ***** [NRG] Iteration 1/30 (scale 0.85783160370214839) ***** [1] xi(0)=0.5829792498644171 xi_scaled(0)=0.6795963768978089 zeta(1)=0.01482927473344289 [2] xi(0)=0.5859387312039949 xi_scaled(0)=0.6830463329577227 zeta(1)=-0.00768292576327697 Stats: nr=16 min=1 max=9 Emax=2.822563358025791 nrkept=64 nrkeptmult=64 Total energy=-1.223184416616485 Egs=-1.136769742815585 Kept: 64 out of 64, ratio=1 =-1.85209601847136e-05 =1.000028215239703 Memory used: 48 MB Time elapsed: 0 s ***** [NRG] Iteration 2/30 (scale 0.6065785440939202) ***** [1] xi(1)=0.5063102955121789 xi_scaled(1)=0.8346986559976045 zeta(2)=0.0146110991712087 [2] xi(1)=0.5058315886558011 xi_scaled(1)=0.8339094641261828 zeta(2)=-0.007204019835183774 Stats: nr=25 min=1 max=36 Emax=5.626109170521441 nrkept=256 nrkeptmult=256 Total energy=-1.719044310866872 Egs=-0.8174702173006798 Kept: 256 out of 256, ratio=1 =-4.882900601581587e-05 =1.000073367097254 Memory used: 57 MB Time elapsed: 0 s ***** [NRG] Iteration 3/30 (scale 0.4289158018510742) ***** [1] xi(2)=0.4067960944949384 xi_scaled(2)=0.9484287889122442 zeta(3)=0.01412981638591658 [2] xi(2)=0.4064588691635462 xi_scaled(2)=0.9476425615689362 zeta(3)=-0.006998879477190387 Stats: nr=36 min=1 max=100 Emax=8.001833112342252 nrkept=937 nrkeptmult=937 Total energy=-2.291267309228951 Egs=-1.334114984555322 Kept: 937 out of 1024, ratio=0.915 =-0.000125449344690766 =1.000177911331801 Memory used: 72 MB Time elapsed: 0 s ***** [NRG] Iteration 4/30 (scale 0.3032892720469601) ***** [1] xi(3)=0.2954306426607566 xi_scaled(3)=0.9740886667927158 zeta(4)=0.008560263672416413 [2] xi(3)=0.2951524431277024 xi_scaled(3)=0.973171392234415 zeta(4)=-0.004245723321876954 Stats: nr=49 min=1 max=355 Emax=8.074558314304062 nrkept=1697 nrkeptmult=1697 Total energy=-2.594244876602899 Egs=-0.9989722528894341 Kept: 1697 out of 3748, ratio=0.453 =-0.0002750448185243826 =1.000392381945965 Memory used: 81 MB Time elapsed: 0 s ***** [NRG] Iteration 5/30 (scale 0.2144579009255371) ***** [1] xi(4)=0.2104017863188206 xi_scaled(4)=0.9810866627472733 zeta(5)=0.004630812360844963 [2] xi(4)=0.2102677835448371 xi_scaled(4)=0.9804618185545195 zeta(5)=-0.002302175639183134 Stats: nr=60 min=2 max=515 Emax=8.000892735999832 nrkept=1938 nrkeptmult=1938 Total energy=-2.871460587704735 Egs=-1.292634637872767 Kept: 1938 out of 6788, ratio=0.286 =-0.0005794770198702141 =1.000796097334055 Memory used: 100 MB Time elapsed: 1 s ***** [NRG] Iteration 6/30 (scale 0.15164463602348005) ***** [1] xi(5)=0.1499300661081555 xi_scaled(5)=0.988693501067462 zeta(6)=0.002472097501770702 [2] xi(5)=0.1498749235748608 xi_scaled(5)=0.9883298711050665 zeta(6)=-0.001231221171378657 Stats: nr=69 min=1 max=663 Emax=8.00160309690969 nrkept=2013 nrkeptmult=2013 Total energy=-3.033993072068335 Egs=-1.071798440258941 Kept: 2013 out of 7752, ratio=0.26 =-0.001079968237540177 =1.001391067587743 Memory used: 95 MB Time elapsed: 2 s ***** [NRG] Iteration 7/30 (scale 0.10722895046276855) ***** [1] xi(6)=0.1065879770469267 xi_scaled(6)=0.9940223846911155 zeta(7)=0.001303982128686918 [2] xi(6)=0.106566159610575 xi_scaled(6)=0.9938189187776891 zeta(7)=-0.0006501560895576558 Stats: nr=60 min=2 max=611 Emax=8.000086005628114 nrkept=1848 nrkeptmult=1848 Total energy=-3.167887533123404 Egs=-1.248678276502935 Kept: 1848 out of 8052, ratio=0.23 =-0.001874595413141715 =1.002217200139636 Memory used: 95 MB Time elapsed: 3 s ***** [NRG] Iteration 8/30 (scale 0.075822318011740025) ***** [1] xi(7)=0.07559172745766202 xi_scaled(7)=0.9969588036857129 zeta(8)=0.0006811129958038703 [2] xi(7)=0.07558328974372031 xi_scaled(7)=0.9968475209636467 zeta(8)=-0.0003398123450392781 Stats: nr=69 min=1 max=632 Emax=8.000536382337543 nrkept=1815 nrkeptmult=1815 Total energy=-3.253702993297326 Egs=-1.131796843254447 Kept: 1815 out of 7392, ratio=0.246 =-0.003022627387360618 =1.003189217461745 Memory used: 95 MB Time elapsed: 3 s ***** [NRG] Iteration 9/30 (scale 0.053614475231384275) ***** [1] xi(8)=0.05353249833925767 xi_scaled(8)=0.998470993294762 zeta(9)=0.000353619489766962 [2] xi(8)=0.05352928493824177 xi_scaled(8)=0.9984110579694225 zeta(9)=-0.0001764876359975103 Stats: nr=60 min=1 max=553 Emax=8.000062183133332 nrkept=1639 nrkeptmult=1639 Total energy=-3.317883530151556 Egs=-1.197074793276364 Kept: 1639 out of 7260, ratio=0.226 =-0.004632527849599303 =1.003999493485512 Memory used: 95 MB Time elapsed: 4 s ***** [NRG] Iteration 10/30 (scale 0.037911159005870013) ***** [1] xi(9)=0.03788215025497683 xi_scaled(9)=0.9992348228950559 zeta(10)=0.0001829444382788862 [2] xi(9)=0.03788093798650662 xi_scaled(9)=0.9992028463345392 zeta(10)=-9.13251724612059e-05 Stats: nr=67 min=1 max=570 Emax=8.008873331605795 nrkept=1531 nrkeptmult=1531 Total energy=-3.362764363588501 Egs=-1.183842293768862 Kept: 1531 out of 6556, ratio=0.234 =-0.00669601525587131 =1.004483710145708 Memory used: 102 MB Time elapsed: 5 s ***** [NRG] Iteration 11/30 (scale 0.026807237615692137) ***** [1] xi(10)=0.02679699422148569 xi_scaled(10)=0.9996178869918156 zeta(11)=9.444107063288229e-05 [2] xi(10)=0.02679653970666521 xi_scaled(10)=0.9996009320624418 zeta(11)=-4.715087273336134e-05 Stats: nr=60 min=1 max=479 Emax=8.001969813406358 nrkept=1422 nrkeptmult=1422 Total energy=-3.393427703406461 Egs=-1.143845563558219 Kept: 1422 out of 6124, ratio=0.232 =-0.009330387527131676 =1.004177545388386 Memory used: 102 MB Time elapsed: 6 s ***** [NRG] Iteration 12/30 (scale 0.018955579502935006) ***** [1] xi(11)=0.01895196593452728 xi_scaled(11)=0.9998093665030308 zeta(12)=4.867647525363228e-05 [2] xi(11)=0.01895179629126905 xi_scaled(11)=0.999800416987232 zeta(12)=-2.430445860982541e-05 Stats: nr=61 min=1 max=511 Emax=8.002456057865158 nrkept=1294 nrkeptmult=1294 Total energy=-3.416809895117923 Egs=-1.233525554195839 Kept: 1294 out of 5688, ratio=0.227 =-0.01268389608251135 =1.002745443190457 Memory used: 102 MB Time elapsed: 6 s ***** [NRG] Iteration 13/30 (scale 0.013403618807846069) ***** [1] xi(12)=0.01340234489606898 xi_scaled(12)=0.9999049576241053 zeta(13)=2.505913018017294e-05 [2] xi(12)=0.01340228174838656 xi_scaled(12)=0.9999002463828111 zeta(13)=-1.251295952018518e-05 Stats: nr=60 min=1 max=407 Emax=8.000685816774055 nrkept=1231 nrkeptmult=1231 Total energy=-3.431448971897179 Egs=-1.092173463683347 Kept: 1231 out of 5176, ratio=0.238 =-0.01678661295163681 =0.9999735981434961 Memory used: 102 MB Time elapsed: 6 s ***** [NRG] Iteration 14/30 (scale 0.0094777897514675032) ***** [1] xi(13)=0.009477340600049631 xi_scaled(13)=0.9999526101095666 zeta(14)=1.288849844260335e-05 [2] xi(13)=0.009477317137162211 xi_scaled(13)=0.9999501345442677 zeta(14)=-6.436022693527665e-06 Stats: nr=59 min=1 max=448 Emax=8.002770582600389 nrkept=1114 nrkeptmult=1114 Total energy=-3.443596105210557 Egs=-1.281641989525753 Kept: 1114 out of 4924, ratio=0.226 =-0.02191888448045284 =0.9956437479319731 Memory used: 102 MB Time elapsed: 7 s ***** [NRG] Iteration 15/30 (scale 0.0067018094039230343) ***** [1] xi(14)=0.006701651239453967 xi_scaled(14)=0.9999763997363198 zeta(15)=6.622912043241889e-06 [2] xi(14)=0.006701642539845489 xi_scaled(14)=0.9999751016378581 zeta(15)=-3.307363203194256e-06 Stats: nr=58 min=1 max=359 Emax=8.004619662734823 nrkept=1081 nrkeptmult=1081 Total energy=-3.450601586355915 Egs=-1.045311903567006 Kept: 1081 out of 4456, ratio=0.243 =-0.0282099289268334 =0.9897326476091015 Memory used: 102 MB Time elapsed: 7 s ***** [NRG] Iteration 16/30 (scale 0.0047388948757337516) ***** [1] xi(15)=0.004738839039377004 xi_scaled(15)=0.9999882174308121 zeta(16)=3.400691141165699e-06 [2] xi(15)=0.004738835820033976 xi_scaled(15)=0.9999875380861309 zeta(16)=-1.698304624409917e-06 Stats: nr=56 min=1 max=392 Emax=8.000611909485016 nrkept=973 nrkeptmult=973 Total energy=-3.456883260748445 Egs=-1.32555681382524 Kept: 973 out of 4324, ratio=0.225 =-0.03584279906658665 =0.9821698586296073 Memory used: 102 MB Time elapsed: 7 s ***** [NRG] Iteration 17/30 (scale 0.0033509047019615172) ***** [1] xi(16)=0.003350885143300714 xi_scaled(16)=0.999994163170086 zeta(17)=1.745039723345499e-06 [2] xi(16)=0.003350883954212654 xi_scaled(16)=0.999993808314259 zeta(17)=-8.715008434655856e-07 Stats: nr=58 min=1 max=321 Emax=8.001181437349766 nrkept=961 nrkeptmult=961 Total energy=-3.46025779668317 Egs=-1.007052194814511 Kept: 961 out of 3892, ratio=0.247 =-0.04470880102382738 =0.9731706897901883 Memory used: 102 MB Time elapsed: 8 s ***** [NRG] Iteration 18/30 (scale 0.0023694474378668758) ***** [1] xi(17)=0.002369440406831054 xi_scaled(17)=0.9999970326263797 zeta(18)=8.94837138128768e-07 [2] xi(17)=0.002369439968443867 xi_scaled(17)=0.9999968476097466 zeta(18)=-4.469094466983836e-07 Stats: nr=55 min=1 max=353 Emax=8.004973446106503 nrkept=849 nrkeptmult=849 Total energy=-3.463483386823529 Egs=-1.361325889238904 Kept: 849 out of 3844, ratio=0.221 =-0.0546187331018763 =0.9629542005737036 Memory used: 102 MB Time elapsed: 8 s ***** [NRG] Iteration 19/30 (scale 0.0016754523509807586) ***** [1] xi(18)=0.00167544998590777 xi_scaled(18)=0.9999985883973441 zeta(19)=4.585700936184352e-07 [2] xi(18)=0.001675449824470473 xi_scaled(18)=0.9999984920428898 zeta(19)=-2.290305875973326e-07 Stats: nr=56 min=1 max=286 Emax=8.003321223364578 nrkept=859 nrkeptmult=859 Total energy=-3.465124658522384 Egs=-0.9795991499815578 Kept: 859 out of 3396, ratio=0.253 =-0.06477956687158669 =0.9523952911218949 Memory used: 102 MB Time elapsed: 8 s ***** [NRG] Iteration 20/30 (scale 0.0011847237189334379) ***** [1] xi(19)=0.001184722759582 xi_scaled(19)=0.9999991902319314 zeta(20)=2.348642777069946e-07 [2] xi(19)=0.001184722700182529 xi_scaled(19)=0.9999991400941062 zeta(20)=-1.173049363067028e-07 Stats: nr=53 min=1 max=323 Emax=8.002794252012565 nrkept=743 nrkeptmult=743 Total energy=-3.466767572536941 Egs=-1.386748647216893 Kept: 743 out of 3436, ratio=0.216 =-0.07448794807079022 =0.9422565451096725 Memory used: 102 MB Time elapsed: 8 s ***** [NRG] Iteration 21/30 (scale 0.00083772617549037929) ***** [1] xi(20)=0.0008377259499169358 xi_scaled(20)=0.9999997307312937 zeta(21)=1.202164449725249e-07 [2] xi(20)=0.0008377259280876383 xi_scaled(20)=0.9999997046734981 zeta(21)=-6.004462826816366e-08 Stats: nr=54 min=1 max=254 Emax=8.001795610586095 nrkept=749 nrkeptmult=749 Total energy=-3.467573645092505 Egs=-0.9622148371951276 Kept: 749 out of 2972, ratio=0.252 =-0.08270309024709133 =0.9336457947314521 Memory used: 102 MB Time elapsed: 8 s ***** [NRG] Iteration 22/30 (scale 0.00059236185946671895) ***** [1] xi(21)=0.0005923616491485491 xi_scaled(21)=0.9999996449498452 zeta(22)=6.150035057371447e-08 [2] xi(21)=0.0005923616411361323 xi_scaled(21)=0.9999996314236252 zeta(22)=-3.071838011435941e-08 Stats: nr=51 min=1 max=284 Emax=8.001186518522681 nrkept=654 nrkeptmult=654 Total energy=-3.46840454229982 Egs=-1.402685189866473 Kept: 654 out of 2996, ratio=0.218 =-0.08904015744610366 =0.9269835478814781 Memory used: 102 MB Time elapsed: 8 s ***** [NRG] Iteration 23/30 (scale 0.00041886308774518965) ***** [1] xi(22)=0.0004188631251166736 xi_scaled(22)=1.00000008922124 zeta(23)=3.144822800927558e-08 [2] xi(22)=0.0004188631221794168 xi_scaled(22)=1.000000082208789 zeta(23)=-1.570821687472152e-08 Stats: nr=53 min=1 max=228 Emax=8.002490933588115 nrkept=659 nrkeptmult=659 Total energy=-3.468803398545593 Egs=-0.9522353662617467 Kept: 659 out of 2616, ratio=0.252 =-0.09333416541080587 =0.9224696005837203 Memory used: 102 MB Time elapsed: 8 s ***** [NRG] Iteration 24/30 (scale 0.00029618092973335947) ***** [1] xi(23)=0.0002961808121419567 xi_scaled(23)=0.9999996029744288 zeta(24)=1.607272964678715e-08 [2] xi(23)=0.0002961808110665226 xi_scaled(23)=0.9999995993434252 zeta(24)=-8.028416418627889e-09 Stats: nr=47 min=1 max=258 Emax=8.001434804915659 nrkept=597 nrkeptmult=597 Total energy=-3.469221539508604 Egs=-1.411775442084552 Kept: 597 out of 2636, ratio=0.226 =-0.0959557115334822 =0.919706978465032 Memory used: 102 MB Time elapsed: 9 s ***** [NRG] Iteration 25/30 (scale 0.00020943154387259482) ***** [1] xi(24)=0.0002094316137352321 xi_scaled(24)=1.00000033358221 zeta(25)=8.210601568439955e-09 [2] xi(24)=0.0002094316133417721 xi_scaled(24)=1.000000331703506 zeta(25)=-4.101326591268056e-09 Stats: nr=53 min=1 max=212 Emax=8.009024382420465 nrkept=596 nrkeptmult=596 Total energy=-3.469419842502453 Egs=-0.9468630664829554 Kept: 596 out of 2388, ratio=0.25 =-0.09746708340120205 =0.9181146235747139 Memory used: 102 MB Time elapsed: 9 s ***** [NRG] Iteration 26/30 (scale 0.00014809046486667974) ***** [1] xi(25)=0.0001480903591245978 xi_scaled(25)=0.9999992859629276 zeta(26)=4.192435978990855e-09 [2] xi(25)=0.0001480903589807243 xi_scaled(25)=0.9999992849914034 zeta(26)=-2.094230913431284e-09 Stats: nr=46 min=1 max=223 Emax=8.000235209973722 nrkept=560 nrkeptmult=560 Total energy=-3.469629635840068 Egs=-1.416656621365836 Kept: 560 out of 2384, ratio=0.235 =-0.09824985314997464 =0.9172889943545609 Memory used: 102 MB Time elapsed: 9 s ***** [NRG] Iteration 27/30 (scale 0.00010471577193629741) ***** [1] xi(26)=0.0001047158458415141 xi_scaled(26)=1.000000705769678 zeta(27)=2.139738480591479e-09 [2] xi(26)=0.0001047158457889483 xi_scaled(26)=1.000000705267693 zeta(27)=-1.068875697722486e-09 Stats: nr=52 min=1 max=201 Emax=8.004237495858538 nrkept=576 nrkeptmult=576 Total energy=-3.469728495377131 Egs=-0.9440749491202886 Kept: 576 out of 2240, ratio=0.257 =-0.09866864712018036 =0.9168476162321046 Memory used: 102 MB Time elapsed: 9 s ***** [NRG] Iteration 28/30 (scale 7.4045232433339868e-05) ***** [1] xi(27)=7.404512733621246e-05 xi_scaled(27)=0.9999985806361333 zeta(28)=1.091603235662045e-09 [2] xi(27)=7.404512731702295e-05 xi_scaled(27)=0.9999985803769741 zeta(28)=-5.453048553060268e-10 Stats: nr=46 min=1 max=213 Emax=8.003697092131301 nrkept=545 nrkeptmult=545 Total energy=-3.469833579485553 Egs=-1.419188041813272 Kept: 545 out of 2304, ratio=0.237 =-0.09887581405524458 =0.9166289959960361 Memory used: 102 MB Time elapsed: 9 s ***** [NRG] Iteration 29/30 (scale 5.2357885968148706e-05) ***** [1] xi(28)=5.235796001866341e-05 xi_scaled(28)=1.00000141431445 zeta(29)=5.567204987468704e-10 [2] xi(28)=5.235796001166491e-05 xi_scaled(28)=1.000001414180784 zeta(29)=-2.781118627603718e-10 Stats: nr=51 min=1 max=197 Emax=8.001318975422413 nrkept=567 nrkeptmult=567 Total energy=-3.469882934974758 Egs=-0.9426562645236628 Kept: 567 out of 2180, ratio=0.26 =-0.09898379720833823 =0.9165150887993516 Memory used: 102 MB Time elapsed: 9 s ***** [NRG] Iteration 30/30 (scale 3.7022616216669934e-05) ***** [1] xi(29)=3.702251158379867e-05 xi_scaled(29)=0.9999971738120653 zeta(30)=2.838012360377618e-10 [2] xi(29)=3.702251158124863e-05 xi_scaled(29)=0.9999971737431873 zeta(30)=-1.417764279933519e-10 Stats: nr=46 min=1 max=210 Emax=8.004342826978657 nrkept=2268 nrkeptmult=2268 Total energy=-3.469935524671532 Egs=-1.420474892062169 Kept: 2268 out of 2268, ratio=1 =-0.09903505109145778 =0.9164611714302345 Memory used: 102 MB Time elapsed: 9 s ** Iteration completed. Total energy: -3.469935524671532 TKW=0.004121245095374507 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 0.2184326384909567 (-1 0) 2 states 0.07313855063976438 0.3710883907099455 (-1 2) 2 states 0.1400561844469404 0.2202631502388343 (0 -1) 1 states 0.2257943028587532 (0 1) 4 states 0 0.09223926073148962 0.2972453204095106 0.3870921949094402 (0 3) 1 states 0.141886696194818 (1 0) 2 states 0.1555831512472739 0.2606742901173918 (1 2) 2 states 0.01914717290011917 0.3132026618006113 (2 1) 1 states 0.1904631385059125 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 0.85783160370214839) ***** [1] xi(0)=0.5829792498644171 xi_scaled(0)=0.6795963768978089 zeta(1)=0.01482927473344289 [2] xi(0)=0.5859387312039949 xi_scaled(0)=0.6830463329577227 zeta(1)=-0.00768292576327697 Stats: nr=16 min=1 max=9 Emax=2.822563358025791 nrkept=64 nrkeptmult=64 Kept: 64 out of 64, ratio=1 Memory used: 95 MB Time elapsed: 13 s ***** [DM] Iteration 2/30 (scale 0.6065785440939202) ***** [1] xi(1)=0.5063102955121789 xi_scaled(1)=0.8346986559976045 zeta(2)=0.0146110991712087 [2] xi(1)=0.5058315886558011 xi_scaled(1)=0.8339094641261828 zeta(2)=-0.007204019835183774 Stats: nr=25 min=1 max=36 Emax=5.626109170521441 nrkept=256 nrkeptmult=256 Kept: 256 out of 256, ratio=1 Memory used: 95 MB Time elapsed: 13 s ***** [DM] Iteration 3/30 (scale 0.4289158018510742) ***** [1] xi(2)=0.4067960944949384 xi_scaled(2)=0.9484287889122442 zeta(3)=0.01412981638591658 [2] xi(2)=0.4064588691635462 xi_scaled(2)=0.9476425615689362 zeta(3)=-0.006998879477190387 Stats: nr=36 min=1 max=100 Emax=8.001833112342252 nrkept=937 nrkeptmult=937 Kept: 937 out of 1024, ratio=0.915 Memory used: 95 MB Time elapsed: 13 s ***** [DM] Iteration 4/30 (scale 0.3032892720469601) ***** [1] xi(3)=0.2954306426607566 xi_scaled(3)=0.9740886667927158 zeta(4)=0.008560263672416413 [2] xi(3)=0.2951524431277024 xi_scaled(3)=0.973171392234415 zeta(4)=-0.004245723321876954 Stats: nr=49 min=1 max=355 Emax=8.074558314304062 nrkept=1697 nrkeptmult=1697 Kept: 1697 out of 3748, ratio=0.453 Memory used: 104 MB Time elapsed: 13 s ***** [DM] Iteration 5/30 (scale 0.2144579009255371) ***** [1] xi(4)=0.2104017863188206 xi_scaled(4)=0.9810866627472733 zeta(5)=0.004630812360844963 [2] xi(4)=0.2102677835448371 xi_scaled(4)=0.9804618185545195 zeta(5)=-0.002302175639183134 Stats: nr=60 min=2 max=515 Emax=8.000892735999832 nrkept=1938 nrkeptmult=1938 Kept: 1938 out of 6788, ratio=0.286 Memory used: 144 MB Time elapsed: 14 s ***** [DM] Iteration 6/30 (scale 0.15164463602348005) ***** [1] xi(5)=0.1499300661081555 xi_scaled(5)=0.988693501067462 zeta(6)=0.002472097501770702 [2] xi(5)=0.1498749235748608 xi_scaled(5)=0.9883298711050665 zeta(6)=-0.001231221171378657 Stats: nr=69 min=1 max=663 Emax=8.00160309690969 nrkept=2013 nrkeptmult=2013 Kept: 2013 out of 7752, ratio=0.26 Memory used: 181 MB Time elapsed: 15 s ***** [DM] Iteration 7/30 (scale 0.10722895046276855) ***** [1] xi(6)=0.1065879770469267 xi_scaled(6)=0.9940223846911155 zeta(7)=0.001303982128686918 [2] xi(6)=0.106566159610575 xi_scaled(6)=0.9938189187776891 zeta(7)=-0.0006501560895576558 Stats: nr=60 min=2 max=611 Emax=8.000086005628114 nrkept=1848 nrkeptmult=1848 Kept: 1848 out of 8052, ratio=0.23 Memory used: 181 MB Time elapsed: 16 s ***** [DM] Iteration 8/30 (scale 0.075822318011740025) ***** [1] xi(7)=0.07559172745766202 xi_scaled(7)=0.9969588036857129 zeta(8)=0.0006811129958038703 [2] xi(7)=0.07558328974372031 xi_scaled(7)=0.9968475209636467 zeta(8)=-0.0003398123450392781 Stats: nr=69 min=1 max=632 Emax=8.000536382337543 nrkept=1815 nrkeptmult=1815 Kept: 1815 out of 7392, ratio=0.246 Memory used: 181 MB Time elapsed: 17 s ***** [DM] Iteration 9/30 (scale 0.053614475231384275) ***** [1] xi(8)=0.05353249833925767 xi_scaled(8)=0.998470993294762 zeta(9)=0.000353619489766962 [2] xi(8)=0.05352928493824177 xi_scaled(8)=0.9984110579694225 zeta(9)=-0.0001764876359975103 Stats: nr=60 min=1 max=553 Emax=8.000062183133332 nrkept=1639 nrkeptmult=1639 Kept: 1639 out of 7260, ratio=0.226 Memory used: 181 MB Time elapsed: 18 s ***** [DM] Iteration 10/30 (scale 0.037911159005870013) ***** [1] xi(9)=0.03788215025497683 xi_scaled(9)=0.9992348228950559 zeta(10)=0.0001829444382788862 [2] xi(9)=0.03788093798650662 xi_scaled(9)=0.9992028463345392 zeta(10)=-9.13251724612059e-05 Stats: nr=67 min=1 max=570 Emax=8.008873331605795 nrkept=1531 nrkeptmult=1531 Kept: 1531 out of 6556, ratio=0.234 Memory used: 181 MB Time elapsed: 19 s ***** [DM] Iteration 11/30 (scale 0.026807237615692137) ***** [1] xi(10)=0.02679699422148569 xi_scaled(10)=0.9996178869918156 zeta(11)=9.444107063288229e-05 [2] xi(10)=0.02679653970666521 xi_scaled(10)=0.9996009320624418 zeta(11)=-4.715087273336134e-05 Stats: nr=60 min=1 max=479 Emax=8.001969813406358 nrkept=1422 nrkeptmult=1422 Kept: 1422 out of 6124, ratio=0.232 Memory used: 181 MB Time elapsed: 19 s ***** [DM] Iteration 12/30 (scale 0.018955579502935006) ***** [1] xi(11)=0.01895196593452728 xi_scaled(11)=0.9998093665030308 zeta(12)=4.867647525363228e-05 [2] xi(11)=0.01895179629126905 xi_scaled(11)=0.999800416987232 zeta(12)=-2.430445860982541e-05 Stats: nr=61 min=1 max=511 Emax=8.002456057865158 nrkept=1294 nrkeptmult=1294 Kept: 1294 out of 5688, ratio=0.227 Memory used: 181 MB Time elapsed: 20 s ***** [DM] Iteration 13/30 (scale 0.013403618807846069) ***** [1] xi(12)=0.01340234489606898 xi_scaled(12)=0.9999049576241053 zeta(13)=2.505913018017294e-05 [2] xi(12)=0.01340228174838656 xi_scaled(12)=0.9999002463828111 zeta(13)=-1.251295952018518e-05 Stats: nr=60 min=1 max=407 Emax=8.000685816774055 nrkept=1231 nrkeptmult=1231 Kept: 1231 out of 5176, ratio=0.238 Memory used: 181 MB Time elapsed: 20 s ***** [DM] Iteration 14/30 (scale 0.0094777897514675032) ***** [1] xi(13)=0.009477340600049631 xi_scaled(13)=0.9999526101095666 zeta(14)=1.288849844260335e-05 [2] xi(13)=0.009477317137162211 xi_scaled(13)=0.9999501345442677 zeta(14)=-6.436022693527665e-06 Stats: nr=59 min=1 max=448 Emax=8.002770582600389 nrkept=1114 nrkeptmult=1114 Kept: 1114 out of 4924, ratio=0.226 Memory used: 181 MB Time elapsed: 21 s ***** [DM] Iteration 15/30 (scale 0.0067018094039230343) ***** [1] xi(14)=0.006701651239453967 xi_scaled(14)=0.9999763997363198 zeta(15)=6.622912043241889e-06 [2] xi(14)=0.006701642539845489 xi_scaled(14)=0.9999751016378581 zeta(15)=-3.307363203194256e-06 Stats: nr=58 min=1 max=359 Emax=8.004619662734823 nrkept=1081 nrkeptmult=1081 Kept: 1081 out of 4456, ratio=0.243 Memory used: 181 MB Time elapsed: 21 s ***** [DM] Iteration 16/30 (scale 0.0047388948757337516) ***** [1] xi(15)=0.004738839039377004 xi_scaled(15)=0.9999882174308121 zeta(16)=3.400691141165699e-06 [2] xi(15)=0.004738835820033976 xi_scaled(15)=0.9999875380861309 zeta(16)=-1.698304624409917e-06 Stats: nr=56 min=1 max=392 Emax=8.000611909485016 nrkept=973 nrkeptmult=973 Kept: 973 out of 4324, ratio=0.225 Memory used: 181 MB Time elapsed: 22 s ***** [DM] Iteration 17/30 (scale 0.0033509047019615172) ***** [1] xi(16)=0.003350885143300714 xi_scaled(16)=0.999994163170086 zeta(17)=1.745039723345499e-06 [2] xi(16)=0.003350883954212654 xi_scaled(16)=0.999993808314259 zeta(17)=-8.715008434655856e-07 Stats: nr=58 min=1 max=321 Emax=8.001181437349766 nrkept=961 nrkeptmult=961 Kept: 961 out of 3892, ratio=0.247 Memory used: 181 MB Time elapsed: 22 s ***** [DM] Iteration 18/30 (scale 0.0023694474378668758) ***** [1] xi(17)=0.002369440406831054 xi_scaled(17)=0.9999970326263797 zeta(18)=8.94837138128768e-07 [2] xi(17)=0.002369439968443867 xi_scaled(17)=0.9999968476097466 zeta(18)=-4.469094466983836e-07 Stats: nr=55 min=1 max=353 Emax=8.004973446106503 nrkept=849 nrkeptmult=849 Kept: 849 out of 3844, ratio=0.221 Memory used: 181 MB Time elapsed: 22 s ***** [DM] Iteration 19/30 (scale 0.0016754523509807586) ***** [1] xi(18)=0.00167544998590777 xi_scaled(18)=0.9999985883973441 zeta(19)=4.585700936184352e-07 [2] xi(18)=0.001675449824470473 xi_scaled(18)=0.9999984920428898 zeta(19)=-2.290305875973326e-07 Stats: nr=56 min=1 max=286 Emax=8.003321223364578 nrkept=859 nrkeptmult=859 Kept: 859 out of 3396, ratio=0.253 Memory used: 181 MB Time elapsed: 23 s ***** [DM] Iteration 20/30 (scale 0.0011847237189334379) ***** [1] xi(19)=0.001184722759582 xi_scaled(19)=0.9999991902319314 zeta(20)=2.348642777069946e-07 [2] xi(19)=0.001184722700182529 xi_scaled(19)=0.9999991400941062 zeta(20)=-1.173049363067028e-07 Stats: nr=53 min=1 max=323 Emax=8.002794252012565 nrkept=743 nrkeptmult=743 Kept: 743 out of 3436, ratio=0.216 Memory used: 181 MB Time elapsed: 23 s ***** [DM] Iteration 21/30 (scale 0.00083772617549037929) ***** [1] xi(20)=0.0008377259499169358 xi_scaled(20)=0.9999997307312937 zeta(21)=1.202164449725249e-07 [2] xi(20)=0.0008377259280876383 xi_scaled(20)=0.9999997046734981 zeta(21)=-6.004462826816366e-08 Stats: nr=54 min=1 max=254 Emax=8.001795610586095 nrkept=749 nrkeptmult=749 Kept: 749 out of 2972, ratio=0.252 Memory used: 181 MB Time elapsed: 23 s ***** [DM] Iteration 22/30 (scale 0.00059236185946671895) ***** [1] xi(21)=0.0005923616491485491 xi_scaled(21)=0.9999996449498452 zeta(22)=6.150035057371447e-08 [2] xi(21)=0.0005923616411361323 xi_scaled(21)=0.9999996314236252 zeta(22)=-3.071838011435941e-08 Stats: nr=51 min=1 max=284 Emax=8.001186518522681 nrkept=654 nrkeptmult=654 Kept: 654 out of 2996, ratio=0.218 Memory used: 181 MB Time elapsed: 23 s ***** [DM] Iteration 23/30 (scale 0.00041886308774518965) ***** [1] xi(22)=0.0004188631251166736 xi_scaled(22)=1.00000008922124 zeta(23)=3.144822800927558e-08 [2] xi(22)=0.0004188631221794168 xi_scaled(22)=1.000000082208789 zeta(23)=-1.570821687472152e-08 Stats: nr=53 min=1 max=228 Emax=8.002490933588115 nrkept=659 nrkeptmult=659 Kept: 659 out of 2616, ratio=0.252 Memory used: 181 MB Time elapsed: 24 s ***** [DM] Iteration 24/30 (scale 0.00029618092973335947) ***** [1] xi(23)=0.0002961808121419567 xi_scaled(23)=0.9999996029744288 zeta(24)=1.607272964678715e-08 [2] xi(23)=0.0002961808110665226 xi_scaled(23)=0.9999995993434252 zeta(24)=-8.028416418627889e-09 Stats: nr=47 min=1 max=258 Emax=8.001434804915659 nrkept=597 nrkeptmult=597 Kept: 597 out of 2636, ratio=0.226 Memory used: 181 MB Time elapsed: 24 s ***** [DM] Iteration 25/30 (scale 0.00020943154387259482) ***** [1] xi(24)=0.0002094316137352321 xi_scaled(24)=1.00000033358221 zeta(25)=8.210601568439955e-09 [2] xi(24)=0.0002094316133417721 xi_scaled(24)=1.000000331703506 zeta(25)=-4.101326591268056e-09 Stats: nr=53 min=1 max=212 Emax=8.009024382420465 nrkept=596 nrkeptmult=596 Kept: 596 out of 2388, ratio=0.25 Memory used: 181 MB Time elapsed: 24 s ***** [DM] Iteration 26/30 (scale 0.00014809046486667974) ***** [1] xi(25)=0.0001480903591245978 xi_scaled(25)=0.9999992859629276 zeta(26)=4.192435978990855e-09 [2] xi(25)=0.0001480903589807243 xi_scaled(25)=0.9999992849914034 zeta(26)=-2.094230913431284e-09 Stats: nr=46 min=1 max=223 Emax=8.000235209973722 nrkept=560 nrkeptmult=560 Kept: 560 out of 2384, ratio=0.235 Memory used: 181 MB Time elapsed: 24 s ***** [DM] Iteration 27/30 (scale 0.00010471577193629741) ***** [1] xi(26)=0.0001047158458415141 xi_scaled(26)=1.000000705769678 zeta(27)=2.139738480591479e-09 [2] xi(26)=0.0001047158457889483 xi_scaled(26)=1.000000705267693 zeta(27)=-1.068875697722486e-09 Stats: nr=52 min=1 max=201 Emax=8.004237495858538 nrkept=576 nrkeptmult=576 Kept: 576 out of 2240, ratio=0.257 Memory used: 181 MB Time elapsed: 24 s ***** [DM] Iteration 28/30 (scale 7.4045232433339868e-05) ***** [1] xi(27)=7.404512733621246e-05 xi_scaled(27)=0.9999985806361333 zeta(28)=1.091603235662045e-09 [2] xi(27)=7.404512731702295e-05 xi_scaled(27)=0.9999985803769741 zeta(28)=-5.453048553060268e-10 Stats: nr=46 min=1 max=213 Emax=8.003697092131301 nrkept=545 nrkeptmult=545 Kept: 545 out of 2304, ratio=0.237 Memory used: 181 MB Time elapsed: 24 s ***** [DM] Iteration 29/30 (scale 5.2357885968148706e-05) ***** [1] xi(28)=5.235796001866341e-05 xi_scaled(28)=1.00000141431445 zeta(29)=5.567204987468704e-10 [2] xi(28)=5.235796001166491e-05 xi_scaled(28)=1.000001414180784 zeta(29)=-2.781118627603718e-10 Stats: nr=51 min=1 max=197 Emax=8.001318975422413 nrkept=567 nrkeptmult=567 Kept: 567 out of 2180, ratio=0.26 Memory used: 181 MB Time elapsed: 24 s ***** [DM] Iteration 30/30 (scale 3.7022616216669934e-05) ***** [1] xi(29)=3.702251158379867e-05 xi_scaled(29)=0.9999971738120653 zeta(30)=2.838012360377618e-10 [2] xi(29)=3.702251158124863e-05 xi_scaled(29)=0.9999971737431873 zeta(30)=-1.417764279933519e-10 Stats: nr=46 min=1 max=210 Emax=8.004342826978657 nrkept=2268 nrkeptmult=2268 Kept: 2268 out of 2268, ratio=1 Memory used: 181 MB Time elapsed: 25 s ** Iteration completed. Spectrum: A_d-A_d-d FDM [A_d-A_d-d] pos=0.4429758921275837 neg=0.5570241078720013 sum= 0.999999999999585 mu1=-0.007106759789450502 mu2=0.03342329622220876 mu3=0.0006983865220997181 mu4=0.01340186807334894 f=0.4429758921275837 b=0.4429758921275837 Spectrum: self_d-A_d-d FDM [self_d-A_d-d] pos=-0.0004373653816898536 neg=-0.006565761358895433 sum= -0.007003126740585287 mu1=0.0006333506332079424 mu2=-0.0002353739623104466 mu3=3.944311015484028e-05 mu4=-9.292057194279443e-05 f=-0.0004373653816898536 b=-0.0004373653816898536 Spectrum: A_d-A_d-u FDM [A_d-A_d-u] pos=0.6400625348112358 neg=0.3599374651882176 sum= 0.9999999999994533 mu1=0.002882228561421591 mu2=0.002603980715766335 mu3=-9.125502596006477e-05 mu4=0.0008000333095542944 f=0.6400625348112358 b=0.6400625348112358 Spectrum: self_d-A_d-u FDM [self_d-A_d-u] pos=0.004489800685333624 neg=-0.001638595291678684 sum= 0.002851205393654939 mu1=0.00063325387388056 mu2=4.258126456484122e-05 mu3=5.991654915099006e-05 mu4=1.238452360172387e-05 f=0.004489800685333624 b=0.004489800685333624 Memory usage report =================== after diag: 186228 kB after recalc: 196432 kB after split: 186228 kB after trim: 186228 kB after trunc: 186228 kB diag_h: 115456 kB Peak usage: 196432 kB Timing report ============= All: 25 s DM: 1 s FDM: 2 s diag: 7 s recalc d: 3 s recalc s: 0 s spec d: 7 s Other: 3 s