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=0.0001 broaden_min_ratio=3 broaden_ratio=1.01 dumpenergies=0 dumpannotated=0 dumpscaled=1 dumpabs=0 dumpprecision=8 dumpgroups=1 grouptol=1e-06 dumpdiagonal=0 ops=A_d_u A_d_d self_d_u self_d_d n_d SZd specs= specd=A_d_u-A_d_u self_d_u-A_d_u A_d_d-A_d_d self_d_d-A_d_d spect= specq= specot= reim=0 specgt= gtp=0.7 speci1t= speci2t= specchit= chitp=1 chitp_ratio=-999 dm=1 T0opt=-1 dmnrg=0 cfs=0 cfsgt=0 cfsls=0 fdm=1 fdmgt=0 fdmls=0 fdmexpv=0 fdmexpvn=0 cfsold=0 fdmold=0 width_td=12 width_custom=12 prec_td=6 prec_custom=6 prec_xy=6 safeguard=1e-05 safeguardmax=200 fixeps=1e-15 diag=dsyev diagratio=1 dsyevrlimit=100 zheevrlimit=100 restart=1 restartfactor=2 checkdiag=0 checkrho=0 calc0=1 tdht=0 spin=2 tri=manual preccpp=2000 checksumrules=0 globalB=0 globalBx=0 polarized=1 pol2x2=0 mpi=0 noimag=1 dumpsubspaces=0 done=1 resume=0 forcestop=-1 stopafter= removefiles=1 dump_f=0 rungs=0 >> Input file for NRG Ljubljana, Rok Zitko, rok.zitko@ijs.si, 2005-2015 SYMMETRY TYPE: U1 invdim=1 0 Q additive I=(0) [0 (additive)] singlet QNs=(0) mult=1 >> Using sneg version 1.250 V8 >> Number of channels, impurities, chain sites, subspaces: channels=1 impurities=1 Nmax=30 subspaces=5 Reading <||||> (e) Reading <||n_d||> (s) Reading <||A_d_u||> (d) Reading <||A_d_d||> (d) Reading <||self_d_u||> (d) Reading <||self_d_d||> (d) Reading <||SZd||> (s) Reading <||||> (z) length_coef_table=30 Nmax=30 Number of invariant subspaces: 5 (-2) 1 states 0.2184326384909567 (-1) 4 states 0.07313855063976439 0.1400561844469404 0.2202631502388343 0.3710883907099455 (0) 6 states 0 0.09223926073148962 0.1418866961948179 0.2257943028587532 0.2972453204095105 0.3870921949094401 (1) 4 states 0.01914717290011915 0.1555831512472739 0.2606742901173918 0.3132026618006113 (2) 1 states 0.1904631385059125 Number of states (multiplicity taken into account): 16 Computing the following operators: s=[] p=[] g=[] d=[A_d_d A_d_u self_d_d self_d_u ] v=[] t=[] q=[] ot=[] Computing the following spectra: Before NRG iteration (N=-1) =-7.093512288967825e-06 =1.000010909423938 ***** [NRG] Iteration 1/30 (scale 0.85783160370214839) ***** [1] xi(0)=0.5829792498644172 xi_scaled(0)=0.6795963768978091 zeta(1)=0.01482927473344292 [2] xi(0)=0.5859387312039949 xi_scaled(0)=0.6830463329577227 zeta(1)=-0.00768292576327697 Stats: nr=7 min=1 max=20 Emax=2.822563358025792 nrkept=64 nrkeptmult=64 Total energy=-1.223184416616485 Egs=-1.136769742815585 Kept: 64 out of 64, ratio=1 =-1.852096018476084e-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)=0.01461109917120876 [2] xi(1)=0.5058315886558011 xi_scaled(1)=0.8339094641261828 zeta(2)=-0.007204019835183776 Stats: nr=9 min=1 max=70 Emax=5.62610917052144 nrkept=256 nrkeptmult=256 Total energy=-1.719044310866872 Egs=-0.8174702173006801 Kept: 256 out of 256, ratio=1 =-4.882900601589291e-05 =1.000073367097254 Memory used: 65 MB Time elapsed: 0 s ***** [NRG] Iteration 3/30 (scale 0.4289158018510742) ***** [1] xi(2)=0.4067960944949385 xi_scaled(2)=0.9484287889122444 zeta(3)=0.01412981638591638 [2] xi(2)=0.4064588691635462 xi_scaled(2)=0.9476425615689362 zeta(3)=-0.006998879477190385 Stats: nr=11 min=1 max=252 Emax=8.001833112342263 nrkept=937 nrkeptmult=937 Total energy=-2.291267309228953 Egs=-1.334114984555327 Kept: 937 out of 1024, ratio=0.915 =-0.0001254493446912462 =1.000177911331801 Memory used: 80 MB Time elapsed: 0 s ***** [NRG] Iteration 4/30 (scale 0.3032892720469601) ***** [1] xi(3)=0.2954306426607567 xi_scaled(3)=0.9740886667927161 zeta(4)=0.008560263672416269 [2] xi(3)=0.2951524431277024 xi_scaled(3)=0.973171392234415 zeta(4)=-0.004245723321876957 Stats: nr=13 min=1 max=836 Emax=8.074558314304076 nrkept=1697 nrkeptmult=1697 Total energy=-2.5942448766029 Egs=-0.998972252889429 Kept: 1697 out of 3748, ratio=0.453 =-0.0002750448185250372 =1.000392381945964 Memory used: 113 MB Time elapsed: 1 s ***** [NRG] Iteration 5/30 (scale 0.2144579009255371) ***** [1] xi(4)=0.2104017863188206 xi_scaled(4)=0.9810866627472735 zeta(5)=0.004630812360844954 [2] xi(4)=0.2102677835448371 xi_scaled(4)=0.9804618185545195 zeta(5)=-0.002302175639183131 Stats: nr=13 min=4 max=1429 Emax=8.000892735999885 nrkept=1938 nrkeptmult=1938 Total energy=-2.871460587704743 Egs=-1.2926346378728 Kept: 1938 out of 6788, ratio=0.286 =-0.0005794770198713902 =1.000796097334052 Memory used: 138 MB Time elapsed: 5 s ***** [NRG] Iteration 6/30 (scale 0.15164463602348005) ***** [1] xi(5)=0.1499300661081555 xi_scaled(5)=0.9886935010674621 zeta(6)=0.002472097501770716 [2] xi(5)=0.1498749235748608 xi_scaled(5)=0.9883298711050665 zeta(6)=-0.00123122117137866 Stats: nr=13 min=5 max=1629 Emax=8.001603096909719 nrkept=2013 nrkeptmult=2013 Total energy=-3.033993072068339 Egs=-1.071798440258912 Kept: 2013 out of 7752, ratio=0.26 =-0.001079968237541556 =1.001391067587739 Memory used: 228 MB Time elapsed: 12 s ***** [NRG] Iteration 7/30 (scale 0.10722895046276855) ***** [1] xi(6)=0.1065879770469267 xi_scaled(6)=0.9940223846911155 zeta(7)=0.001303982128686936 [2] xi(6)=0.106566159610575 xi_scaled(6)=0.9938189187776891 zeta(7)=-0.0006501560895576578 Stats: nr=13 min=4 max=1693 Emax=8.000086005628091 nrkept=1848 nrkeptmult=1848 Total energy=-3.167887533123402 Egs=-1.248678276502887 Kept: 1848 out of 8052, ratio=0.23 =-0.001874595413141328 =1.002217200139632 Memory used: 197 MB Time elapsed: 20 s ***** [NRG] Iteration 8/30 (scale 0.075822318011740025) ***** [1] xi(7)=0.07559172745766203 xi_scaled(7)=0.9969588036857131 zeta(8)=0.0006811129958038917 [2] xi(7)=0.07558328974372031 xi_scaled(7)=0.9968475209636467 zeta(8)=-0.0003398123450392675 Stats: nr=13 min=5 max=1552 Emax=8.000536382337561 nrkept=1815 nrkeptmult=1815 Total energy=-3.253702993297328 Egs=-1.131796843254494 Kept: 1815 out of 7392, ratio=0.246 =-0.003022627387357209 =1.003189217461743 Memory used: 229 MB Time elapsed: 26 s ***** [NRG] Iteration 9/30 (scale 0.053614475231384275) ***** [1] xi(8)=0.05353249833925767 xi_scaled(8)=0.998470993294762 zeta(9)=0.0003536194897669513 [2] xi(8)=0.05352928493824178 xi_scaled(8)=0.9984110579694226 zeta(9)=-0.0001764876359975317 Stats: nr=13 min=3 max=1529 Emax=8.000062183133233 nrkept=1639 nrkeptmult=1639 Total energy=-3.317883530151554 Egs=-1.197074793276296 Kept: 1639 out of 7260, ratio=0.226 =-0.004632527849592582 =1.003999493485507 Memory used: 229 MB Time elapsed: 31 s ***** [NRG] Iteration 10/30 (scale 0.037911159005870013) ***** [1] xi(9)=0.03788215025497683 xi_scaled(9)=0.9992348228950559 zeta(10)=0.0001829444382788724 [2] xi(9)=0.03788093798650662 xi_scaled(9)=0.9992028463345394 zeta(10)=-9.132517246123134e-05 Stats: nr=13 min=2 max=1397 Emax=8.008873331605788 nrkept=1531 nrkeptmult=1531 Total energy=-3.362764363588502 Egs=-1.183842293768923 Kept: 1531 out of 6556, ratio=0.234 =-0.006696015255861902 =1.004483710145704 Memory used: 229 MB Time elapsed: 35 s ***** [NRG] Iteration 11/30 (scale 0.026807237615692137) ***** [1] xi(10)=0.02679699422148569 xi_scaled(10)=0.9996178869918155 zeta(11)=9.444107063288387e-05 [2] xi(10)=0.02679653970666521 xi_scaled(10)=0.9996009320624419 zeta(11)=-4.715087273335627e-05 Stats: nr=13 min=2 max=1320 Emax=8.001969813406546 nrkept=1422 nrkeptmult=1422 Total energy=-3.393427703406461 Egs=-1.14384556355819 Kept: 1422 out of 6124, ratio=0.232 =-0.009330387527120586 =1.004177545388376 Memory used: 229 MB Time elapsed: 39 s ***** [NRG] Iteration 12/30 (scale 0.018955579502935006) ***** [1] xi(11)=0.01895196593452728 xi_scaled(11)=0.9998093665030308 zeta(12)=4.867647525363767e-05 [2] xi(11)=0.01895179629126904 xi_scaled(11)=0.9998004169872318 zeta(12)=-2.430445860981386e-05 Stats: nr=13 min=1 max=1236 Emax=8.002456057865073 nrkept=1294 nrkeptmult=1294 Total energy=-3.416809895117924 Egs=-1.233525554195889 Kept: 1294 out of 5688, ratio=0.227 =-0.01268389608250064 =1.002745443190439 Memory used: 229 MB Time elapsed: 41 s ***** [NRG] Iteration 13/30 (scale 0.013403618807846069) ***** [1] xi(12)=0.01340234489606898 xi_scaled(12)=0.9999049576241053 zeta(13)=2.505913018017258e-05 [2] xi(12)=0.01340228174838656 xi_scaled(12)=0.9999002463828109 zeta(13)=-1.251295952018269e-05 Stats: nr=13 min=2 max=1127 Emax=8.000685816773878 nrkept=1231 nrkeptmult=1231 Total energy=-3.43144897189718 Egs=-1.09217346368335 Kept: 1231 out of 5176, ratio=0.238 =-0.01678661295162743 =0.9999735981434738 Memory used: 229 MB Time elapsed: 43 s ***** [NRG] Iteration 14/30 (scale 0.0094777897514675032) ***** [1] xi(13)=0.009477340600049631 xi_scaled(13)=0.9999526101095666 zeta(14)=1.288849844260092e-05 [2] xi(13)=0.009477317137162209 xi_scaled(13)=0.9999501345442675 zeta(14)=-6.436022693527452e-06 Stats: nr=13 min=1 max=1082 Emax=8.002770582600256 nrkept=1114 nrkeptmult=1114 Total energy=-3.443596105210558 Egs=-1.281641989525786 Kept: 1114 out of 4924, ratio=0.226 =-0.02191888448044299 =0.9956437479319451 Memory used: 229 MB Time elapsed: 45 s ***** [NRG] Iteration 15/30 (scale 0.0067018094039230343) ***** [1] xi(14)=0.006701651239453967 xi_scaled(14)=0.9999763997363198 zeta(15)=6.622912043243262e-06 [2] xi(14)=0.006701642539845489 xi_scaled(14)=0.9999751016378581 zeta(15)=-3.307363203193969e-06 Stats: nr=13 min=1 max=985 Emax=8.00461966273493 nrkept=1081 nrkeptmult=1081 Total energy=-3.450601586355916 Egs=-1.04531190356693 Kept: 1081 out of 4456, ratio=0.243 =-0.02820992892682276 =0.9897326476090719 Memory used: 229 MB Time elapsed: 46 s ***** [NRG] Iteration 16/30 (scale 0.0047388948757337516) ***** [1] xi(15)=0.004738839039377005 xi_scaled(15)=0.9999882174308123 zeta(16)=3.400691141166381e-06 [2] xi(15)=0.004738835820033975 xi_scaled(15)=0.9999875380861308 zeta(16)=-1.698304624410582e-06 Stats: nr=13 min=1 max=950 Emax=8.00061190948475 nrkept=973 nrkeptmult=973 Total energy=-3.456883260748446 Egs=-1.325556813825325 Kept: 973 out of 4324, ratio=0.225 =-0.03584279906657507 =0.9821698586295804 Memory used: 229 MB Time elapsed: 48 s ***** [NRG] Iteration 17/30 (scale 0.0033509047019615172) ***** [1] xi(16)=0.003350885143300714 xi_scaled(16)=0.9999941631700862 zeta(17)=1.74503972334782e-06 [2] xi(16)=0.003350883954212654 xi_scaled(16)=0.999993808314259 zeta(17)=-8.715008434652139e-07 Stats: nr=13 min=1 max=864 Emax=8.00118143734964 nrkept=961 nrkeptmult=961 Total energy=-3.460257796683171 Egs=-1.007052194814439 Kept: 961 out of 3892, ratio=0.247 =-0.04470880102381512 =0.9731706897901622 Memory used: 229 MB Time elapsed: 49 s ***** [NRG] Iteration 18/30 (scale 0.0023694474378668758) ***** [1] xi(17)=0.002369440406831054 xi_scaled(17)=0.9999970326263797 zeta(18)=8.948371381299049e-07 [2] xi(17)=0.002369439968443867 xi_scaled(17)=0.9999968476097468 zeta(18)=-4.469094466978122e-07 Stats: nr=13 min=1 max=854 Emax=8.004973446106677 nrkept=849 nrkeptmult=849 Total energy=-3.46348338682353 Egs=-1.361325889239013 Kept: 849 out of 3844, ratio=0.221 =-0.05461873310186368 =0.9629542005736814 Memory used: 229 MB Time elapsed: 50 s ***** [NRG] Iteration 19/30 (scale 0.0016754523509807586) ***** [1] xi(18)=0.00167544998590777 xi_scaled(18)=0.9999985883973441 zeta(19)=4.585700936182671e-07 [2] xi(18)=0.001675449824470474 xi_scaled(18)=0.9999984920428902 zeta(19)=-2.290305875964957e-07 Stats: nr=12 min=1 max=763 Emax=8.003321223364839 nrkept=859 nrkeptmult=859 Total energy=-3.465124658522385 Egs=-0.9795991499814823 Kept: 859 out of 3396, ratio=0.253 =-0.06477956687157373 =0.9523952911218764 Memory used: 229 MB Time elapsed: 51 s ***** [NRG] Iteration 20/30 (scale 0.0011847237189334379) ***** [1] xi(19)=0.001184722759582 xi_scaled(19)=0.9999991902319314 zeta(20)=2.34864277707124e-07 [2] xi(19)=0.001184722700182529 xi_scaled(19)=0.9999991400941057 zeta(20)=-1.173049363064121e-07 Stats: nr=12 min=1 max=771 Emax=8.002794252012436 nrkept=743 nrkeptmult=743 Total energy=-3.466767572536942 Egs=-1.386748647216993 Kept: 743 out of 3436, ratio=0.216 =-0.0744879480707762 =0.9422565451096581 Memory used: 229 MB Time elapsed: 52 s ***** [NRG] Iteration 21/30 (scale 0.00083772617549037929) ***** [1] xi(20)=0.0008377259499169358 xi_scaled(20)=0.9999997307312937 zeta(21)=1.202164449718008e-07 [2] xi(20)=0.0008377259280876384 xi_scaled(20)=0.9999997046734982 zeta(21)=-6.004462826770163e-08 Stats: nr=11 min=7 max=667 Emax=8.001795610585955 nrkept=749 nrkeptmult=749 Total energy=-3.467573645092506 Egs=-0.9622148371950427 Kept: 749 out of 2972, ratio=0.252 =-0.08270309024707517 =0.9336457947314379 Memory used: 229 MB Time elapsed: 52 s ***** [NRG] Iteration 22/30 (scale 0.00059236185946671895) ***** [1] xi(21)=0.0005923616491485496 xi_scaled(21)=0.9999996449498462 zeta(22)=6.15003505728755e-08 [2] xi(21)=0.0005923616411361326 xi_scaled(21)=0.9999996314236258 zeta(22)=-3.071838011380349e-08 Stats: nr=12 min=1 max=673 Emax=8.001186518522456 nrkept=654 nrkeptmult=654 Total energy=-3.468404542299822 Egs=-1.402685189866578 Kept: 654 out of 2996, ratio=0.218 =-0.08904015744608547 =0.9269835478814669 Memory used: 229 MB Time elapsed: 53 s ***** [NRG] Iteration 23/30 (scale 0.00041886308774518965) ***** [1] xi(22)=0.0004188631251166738 xi_scaled(22)=1.00000008922124 zeta(23)=3.14482280094055e-08 [2] xi(22)=0.0004188631221794171 xi_scaled(22)=1.00000008220879 zeta(23)=-1.570821687506525e-08 Stats: nr=11 min=5 max=590 Emax=8.002490933588099 nrkept=659 nrkeptmult=659 Total energy=-3.468803398545594 Egs=-0.9522353662616769 Kept: 659 out of 2616, ratio=0.252 =-0.09333416541078594 =0.9224696005837115 Memory used: 229 MB Time elapsed: 53 s ***** [NRG] Iteration 24/30 (scale 0.00029618092973335947) ***** [1] xi(23)=0.0002961808121419565 xi_scaled(23)=0.9999996029744282 zeta(24)=1.607272964665224e-08 [2] xi(23)=0.0002961808110665225 xi_scaled(23)=0.9999995993434249 zeta(24)=-8.028416418384845e-09 Stats: nr=12 min=1 max=604 Emax=8.00143480491562 nrkept=597 nrkeptmult=597 Total energy=-3.469221539508605 Egs=-1.411775442084632 Kept: 597 out of 2636, ratio=0.226 =-0.09595571153346094 =0.919706978465024 Memory used: 229 MB Time elapsed: 54 s ***** [NRG] Iteration 25/30 (scale 0.00020943154387259482) ***** [1] xi(24)=0.000209431613735232 xi_scaled(24)=1.00000033358221 zeta(25)=8.21060156874325e-09 [2] xi(24)=0.0002094316133417722 xi_scaled(24)=1.000000331703506 zeta(25)=-4.101326591921858e-09 Stats: nr=11 min=5 max=538 Emax=8.009024382420476 nrkept=596 nrkeptmult=596 Total energy=-3.469419842502455 Egs=-0.9468630664828924 Kept: 596 out of 2388, ratio=0.25 =-0.09746708340118024 =0.9181146235747065 Memory used: 229 MB Time elapsed: 54 s ***** [NRG] Iteration 26/30 (scale 0.00014809046486667974) ***** [1] xi(25)=0.0001480903591245977 xi_scaled(25)=0.999999285962927 zeta(26)=4.192435978342013e-09 [2] xi(25)=0.0001480903589807242 xi_scaled(25)=0.9999992849914031 zeta(26)=-2.094230913216428e-09 Stats: nr=11 min=4 max=542 Emax=8.000235209973578 nrkept=560 nrkeptmult=560 Total energy=-3.469629635840069 Egs=-1.41665662136591 Kept: 560 out of 2384, ratio=0.235 =-0.09824985314995299 =0.9172889943545578 Memory used: 229 MB Time elapsed: 54 s ***** [NRG] Iteration 27/30 (scale 0.00010471577193629741) ***** [1] xi(26)=0.000104715845841514 xi_scaled(26)=1.000000705769678 zeta(27)=2.139738481054069e-09 [2] xi(26)=0.0001047158457889483 xi_scaled(26)=1.000000705267693 zeta(27)=-1.068875698058742e-09 Stats: nr=11 min=5 max=502 Emax=8.004237495858634 nrkept=576 nrkeptmult=576 Total energy=-3.469728495377132 Egs=-0.944074949120226 Kept: 576 out of 2240, ratio=0.257 =-0.09866864712015866 =0.9168476162321003 Memory used: 229 MB Time elapsed: 54 s ***** [NRG] Iteration 28/30 (scale 7.4045232433339868e-05) ***** [1] xi(27)=7.404512733621256e-05 xi_scaled(27)=0.9999985806361348 zeta(28)=1.091603235745947e-09 [2] xi(27)=7.404512731702286e-05 xi_scaled(27)=0.999998580376973 zeta(28)=-5.453048550094843e-10 Stats: nr=11 min=4 max=523 Emax=8.003697092131191 nrkept=545 nrkeptmult=545 Total energy=-3.469833579485555 Egs=-1.419188041813329 Kept: 545 out of 2304, ratio=0.237 =-0.09887581405522297 =0.916628995996032 Memory used: 229 MB Time elapsed: 55 s ***** [NRG] Iteration 29/30 (scale 5.2357885968148706e-05) ***** [1] xi(28)=5.235796001866346e-05 xi_scaled(28)=1.000001414314451 zeta(29)=5.567204987193558e-10 [2] xi(28)=5.235796001166484e-05 xi_scaled(28)=1.000001414180782 zeta(29)=-2.781118628431682e-10 Stats: nr=11 min=5 max=487 Emax=8.001318975422501 nrkept=567 nrkeptmult=567 Total energy=-3.46988293497476 Egs=-0.9426562645236088 Kept: 567 out of 2180, ratio=0.26 =-0.0989837972083166 =0.9165150887993461 Memory used: 229 MB Time elapsed: 55 s ***** [NRG] Iteration 30/30 (scale 3.7022616216669934e-05) ***** [1] xi(29)=3.702251158379867e-05 xi_scaled(29)=0.9999971738120653 zeta(30)=2.838012360083865e-10 [2] xi(29)=3.702251158124866e-05 xi_scaled(29)=0.9999971737431882 zeta(30)=-1.417764281450016e-10 Stats: nr=11 min=4 max=511 Emax=8.004342826978863 nrkept=2268 nrkeptmult=2268 Total energy=-3.469935524671534 Egs=-1.420474892062226 Kept: 2268 out of 2268, ratio=1 =-0.09903505109143622 =0.9164611714302285 Memory used: 229 MB Time elapsed: 55 s ** Iteration completed. Total energy: -3.469935524671534 Grand canonical Z= 1 Zft (last shell)= 1 Calculating density matrices. [DM] 29 [DM] 28 [DM] 27 [DM] 26 [DM] 25 [DM] 24 [DM] 23 [DM] 22 [DM] 21 [DM] 20 [DM] 19 [DM] 18 [DM] 17 [DM] 16 [DM] 15 [DM] 14 [DM] 13 [DM] 12 [DM] 11 [DM] 10 [DM] 9 [DM] 8 [DM] 7 [DM] 6 [DM] 5 [DM] 4 [DM] 3 [DM] 2 [DM] 1 Calculating full density matrices. [FDM] 29 [FDM] 28 [FDM] 27 [FDM] 26 [FDM] 25 [FDM] 24 [FDM] 23 [FDM] 22 [FDM] 21 [FDM] 20 [FDM] 19 [FDM] 18 [FDM] 17 [FDM] 16 [FDM] 15 [FDM] 14 [FDM] 13 [FDM] 12 [FDM] 11 [FDM] 10 [FDM] 9 [FDM] 8 [FDM] 7 [FDM] 6 [FDM] 5 [FDM] 4 [FDM] 3 [FDM] 2 [FDM] 1 >> Input file for NRG Ljubljana, Rok Zitko, rok.zitko@ijs.si, 2005-2015 SYMMETRY TYPE: U1 >> Using sneg version 1.250 V8 >> Number of channels, impurities, chain sites, subspaces: channels=1 impurities=1 Nmax=30 subspaces=5 Reading <||||> (e) Reading <||n_d||> (s) Reading <||A_d_u||> (d) Reading <||A_d_d||> (d) Reading <||self_d_u||> (d) Reading <||self_d_d||> (d) Reading <||SZd||> (s) Reading <||||> (z) Number of invariant subspaces: 5 (-2) 1 states 0.2184326384909567 (-1) 4 states 0.07313855063976439 0.1400561844469404 0.2202631502388343 0.3710883907099455 (0) 6 states 0 0.09223926073148962 0.1418866961948179 0.2257943028587532 0.2972453204095105 0.3870921949094401 (1) 4 states 0.01914717290011915 0.1555831512472739 0.2606742901173918 0.3132026618006113 (2) 1 states 0.1904631385059125 Number of states (multiplicity taken into account): 16 Computing the following operators: s=[] p=[] g=[] d=[A_d_d A_d_u self_d_d self_d_u ] v=[] t=[] q=[] ot=[] Computing the following spectra: Spectrum: A_d_d-A_d_d FDM Spectrum: A_d_u-A_d_u FDM Spectrum: self_d_d-A_d_d FDM Spectrum: self_d_u-A_d_u FDM ***** [DM] Iteration 1/30 (scale 0.85783160370214839) ***** [1] xi(0)=0.5829792498644172 xi_scaled(0)=0.6795963768978091 zeta(1)=0.01482927473344292 [2] xi(0)=0.5859387312039949 xi_scaled(0)=0.6830463329577227 zeta(1)=-0.00768292576327697 Stats: nr=7 min=1 max=20 Emax=2.822563358025792 nrkept=64 nrkeptmult=64 Kept: 64 out of 64, ratio=1 Memory used: 257 MB Time elapsed: 67 s ***** [DM] Iteration 2/30 (scale 0.6065785440939202) ***** [1] xi(1)=0.5063102955121789 xi_scaled(1)=0.8346986559976045 zeta(2)=0.01461109917120876 [2] xi(1)=0.5058315886558011 xi_scaled(1)=0.8339094641261828 zeta(2)=-0.007204019835183776 Stats: nr=9 min=1 max=70 Emax=5.62610917052144 nrkept=256 nrkeptmult=256 Kept: 256 out of 256, ratio=1 Memory used: 257 MB Time elapsed: 67 s ***** [DM] Iteration 3/30 (scale 0.4289158018510742) ***** [1] xi(2)=0.4067960944949385 xi_scaled(2)=0.9484287889122444 zeta(3)=0.01412981638591638 [2] xi(2)=0.4064588691635462 xi_scaled(2)=0.9476425615689362 zeta(3)=-0.006998879477190385 Stats: nr=11 min=1 max=252 Emax=8.001833112342263 nrkept=937 nrkeptmult=937 Kept: 937 out of 1024, ratio=0.915 Memory used: 257 MB Time elapsed: 68 s ***** [DM] Iteration 4/30 (scale 0.3032892720469601) ***** [1] xi(3)=0.2954306426607567 xi_scaled(3)=0.9740886667927161 zeta(4)=0.008560263672416269 [2] xi(3)=0.2951524431277024 xi_scaled(3)=0.973171392234415 zeta(4)=-0.004245723321876957 Stats: nr=13 min=1 max=836 Emax=8.074558314304076 nrkept=1697 nrkeptmult=1697 Kept: 1697 out of 3748, ratio=0.453 Memory used: 257 MB Time elapsed: 69 s ***** [DM] Iteration 5/30 (scale 0.2144579009255371) ***** [1] xi(4)=0.2104017863188206 xi_scaled(4)=0.9810866627472735 zeta(5)=0.004630812360844954 [2] xi(4)=0.2102677835448371 xi_scaled(4)=0.9804618185545195 zeta(5)=-0.002302175639183131 Stats: nr=13 min=4 max=1429 Emax=8.000892735999885 nrkept=1938 nrkeptmult=1938 Kept: 1938 out of 6788, ratio=0.286 Memory used: 416 MB Time elapsed: 73 s ***** [DM] Iteration 6/30 (scale 0.15164463602348005) ***** [1] xi(5)=0.1499300661081555 xi_scaled(5)=0.9886935010674621 zeta(6)=0.002472097501770716 [2] xi(5)=0.1498749235748608 xi_scaled(5)=0.9883298711050665 zeta(6)=-0.00123122117137866 Stats: nr=13 min=5 max=1629 Emax=8.001603096909719 nrkept=2013 nrkeptmult=2013 Kept: 2013 out of 7752, ratio=0.26 Memory used: 463 MB Time elapsed: 81 s ***** [DM] Iteration 7/30 (scale 0.10722895046276855) ***** [1] xi(6)=0.1065879770469267 xi_scaled(6)=0.9940223846911155 zeta(7)=0.001303982128686936 [2] xi(6)=0.106566159610575 xi_scaled(6)=0.9938189187776891 zeta(7)=-0.0006501560895576578 Stats: nr=13 min=4 max=1693 Emax=8.000086005628091 nrkept=1848 nrkeptmult=1848 Kept: 1848 out of 8052, ratio=0.23 Memory used: 218 MB Time elapsed: 88 s ***** [DM] Iteration 8/30 (scale 0.075822318011740025) ***** [1] xi(7)=0.07559172745766203 xi_scaled(7)=0.9969588036857131 zeta(8)=0.0006811129958038917 [2] xi(7)=0.07558328974372031 xi_scaled(7)=0.9968475209636467 zeta(8)=-0.0003398123450392675 Stats: nr=13 min=5 max=1552 Emax=8.000536382337561 nrkept=1815 nrkeptmult=1815 Kept: 1815 out of 7392, ratio=0.246 Memory used: 444 MB Time elapsed: 94 s ***** [DM] Iteration 9/30 (scale 0.053614475231384275) ***** [1] xi(8)=0.05353249833925767 xi_scaled(8)=0.998470993294762 zeta(9)=0.0003536194897669513 [2] xi(8)=0.05352928493824178 xi_scaled(8)=0.9984110579694226 zeta(9)=-0.0001764876359975317 Stats: nr=13 min=3 max=1529 Emax=8.000062183133233 nrkept=1639 nrkeptmult=1639 Kept: 1639 out of 7260, ratio=0.226 Memory used: 360 MB Time elapsed: 99 s ***** [DM] Iteration 10/30 (scale 0.037911159005870013) ***** [1] xi(9)=0.03788215025497683 xi_scaled(9)=0.9992348228950559 zeta(10)=0.0001829444382788724 [2] xi(9)=0.03788093798650662 xi_scaled(9)=0.9992028463345394 zeta(10)=-9.132517246123134e-05 Stats: nr=13 min=2 max=1397 Emax=8.008873331605788 nrkept=1531 nrkeptmult=1531 Kept: 1531 out of 6556, ratio=0.234 Memory used: 218 MB Time elapsed: 104 s ***** [DM] Iteration 11/30 (scale 0.026807237615692137) ***** [1] xi(10)=0.02679699422148569 xi_scaled(10)=0.9996178869918155 zeta(11)=9.444107063288387e-05 [2] xi(10)=0.02679653970666521 xi_scaled(10)=0.9996009320624419 zeta(11)=-4.715087273335627e-05 Stats: nr=13 min=2 max=1320 Emax=8.001969813406546 nrkept=1422 nrkeptmult=1422 Kept: 1422 out of 6124, ratio=0.232 Memory used: 299 MB Time elapsed: 107 s ***** [DM] Iteration 12/30 (scale 0.018955579502935006) ***** [1] xi(11)=0.01895196593452728 xi_scaled(11)=0.9998093665030308 zeta(12)=4.867647525363767e-05 [2] xi(11)=0.01895179629126904 xi_scaled(11)=0.9998004169872318 zeta(12)=-2.430445860981386e-05 Stats: nr=13 min=1 max=1236 Emax=8.002456057865073 nrkept=1294 nrkeptmult=1294 Kept: 1294 out of 5688, ratio=0.227 Memory used: 218 MB Time elapsed: 110 s ***** [DM] Iteration 13/30 (scale 0.013403618807846069) ***** [1] xi(12)=0.01340234489606898 xi_scaled(12)=0.9999049576241053 zeta(13)=2.505913018017258e-05 [2] xi(12)=0.01340228174838656 xi_scaled(12)=0.9999002463828109 zeta(13)=-1.251295952018269e-05 Stats: nr=13 min=2 max=1127 Emax=8.000685816773878 nrkept=1231 nrkeptmult=1231 Kept: 1231 out of 5176, ratio=0.238 Memory used: 218 MB Time elapsed: 112 s ***** [DM] Iteration 14/30 (scale 0.0094777897514675032) ***** [1] xi(13)=0.009477340600049631 xi_scaled(13)=0.9999526101095666 zeta(14)=1.288849844260092e-05 [2] xi(13)=0.009477317137162209 xi_scaled(13)=0.9999501345442675 zeta(14)=-6.436022693527452e-06 Stats: nr=13 min=1 max=1082 Emax=8.002770582600256 nrkept=1114 nrkeptmult=1114 Kept: 1114 out of 4924, ratio=0.226 Memory used: 218 MB Time elapsed: 114 s ***** [DM] Iteration 15/30 (scale 0.0067018094039230343) ***** [1] xi(14)=0.006701651239453967 xi_scaled(14)=0.9999763997363198 zeta(15)=6.622912043243262e-06 [2] xi(14)=0.006701642539845489 xi_scaled(14)=0.9999751016378581 zeta(15)=-3.307363203193969e-06 Stats: nr=13 min=1 max=985 Emax=8.00461966273493 nrkept=1081 nrkeptmult=1081 Kept: 1081 out of 4456, ratio=0.243 Memory used: 231 MB Time elapsed: 116 s ***** [DM] Iteration 16/30 (scale 0.0047388948757337516) ***** [1] xi(15)=0.004738839039377005 xi_scaled(15)=0.9999882174308123 zeta(16)=3.400691141166381e-06 [2] xi(15)=0.004738835820033975 xi_scaled(15)=0.9999875380861308 zeta(16)=-1.698304624410582e-06 Stats: nr=13 min=1 max=950 Emax=8.00061190948475 nrkept=973 nrkeptmult=973 Kept: 973 out of 4324, ratio=0.225 Memory used: 231 MB Time elapsed: 117 s ***** [DM] Iteration 17/30 (scale 0.0033509047019615172) ***** [1] xi(16)=0.003350885143300714 xi_scaled(16)=0.9999941631700862 zeta(17)=1.74503972334782e-06 [2] xi(16)=0.003350883954212654 xi_scaled(16)=0.999993808314259 zeta(17)=-8.715008434652139e-07 Stats: nr=13 min=1 max=864 Emax=8.00118143734964 nrkept=961 nrkeptmult=961 Kept: 961 out of 3892, ratio=0.247 Memory used: 231 MB Time elapsed: 119 s ***** [DM] Iteration 18/30 (scale 0.0023694474378668758) ***** [1] xi(17)=0.002369440406831054 xi_scaled(17)=0.9999970326263797 zeta(18)=8.948371381299049e-07 [2] xi(17)=0.002369439968443867 xi_scaled(17)=0.9999968476097468 zeta(18)=-4.469094466978122e-07 Stats: nr=13 min=1 max=854 Emax=8.004973446106677 nrkept=849 nrkeptmult=849 Kept: 849 out of 3844, ratio=0.221 Memory used: 231 MB Time elapsed: 120 s ***** [DM] Iteration 19/30 (scale 0.0016754523509807586) ***** [1] xi(18)=0.00167544998590777 xi_scaled(18)=0.9999985883973441 zeta(19)=4.585700936182671e-07 [2] xi(18)=0.001675449824470474 xi_scaled(18)=0.9999984920428902 zeta(19)=-2.290305875964957e-07 Stats: nr=12 min=1 max=763 Emax=8.003321223364839 nrkept=859 nrkeptmult=859 Kept: 859 out of 3396, ratio=0.253 Memory used: 231 MB Time elapsed: 121 s ***** [DM] Iteration 20/30 (scale 0.0011847237189334379) ***** [1] xi(19)=0.001184722759582 xi_scaled(19)=0.9999991902319314 zeta(20)=2.34864277707124e-07 [2] xi(19)=0.001184722700182529 xi_scaled(19)=0.9999991400941057 zeta(20)=-1.173049363064121e-07 Stats: nr=12 min=1 max=771 Emax=8.002794252012436 nrkept=743 nrkeptmult=743 Kept: 743 out of 3436, ratio=0.216 Memory used: 231 MB Time elapsed: 121 s ***** [DM] Iteration 21/30 (scale 0.00083772617549037929) ***** [1] xi(20)=0.0008377259499169358 xi_scaled(20)=0.9999997307312937 zeta(21)=1.202164449718008e-07 [2] xi(20)=0.0008377259280876384 xi_scaled(20)=0.9999997046734982 zeta(21)=-6.004462826770163e-08 Stats: nr=11 min=7 max=667 Emax=8.001795610585955 nrkept=749 nrkeptmult=749 Kept: 749 out of 2972, ratio=0.252 Memory used: 231 MB Time elapsed: 122 s ***** [DM] Iteration 22/30 (scale 0.00059236185946671895) ***** [1] xi(21)=0.0005923616491485496 xi_scaled(21)=0.9999996449498462 zeta(22)=6.15003505728755e-08 [2] xi(21)=0.0005923616411361326 xi_scaled(21)=0.9999996314236258 zeta(22)=-3.071838011380349e-08 Stats: nr=12 min=1 max=673 Emax=8.001186518522456 nrkept=654 nrkeptmult=654 Kept: 654 out of 2996, ratio=0.218 Memory used: 231 MB Time elapsed: 123 s ***** [DM] Iteration 23/30 (scale 0.00041886308774518965) ***** [1] xi(22)=0.0004188631251166738 xi_scaled(22)=1.00000008922124 zeta(23)=3.14482280094055e-08 [2] xi(22)=0.0004188631221794171 xi_scaled(22)=1.00000008220879 zeta(23)=-1.570821687506525e-08 Stats: nr=11 min=5 max=590 Emax=8.002490933588099 nrkept=659 nrkeptmult=659 Kept: 659 out of 2616, ratio=0.252 Memory used: 231 MB Time elapsed: 123 s ***** [DM] Iteration 24/30 (scale 0.00029618092973335947) ***** [1] xi(23)=0.0002961808121419565 xi_scaled(23)=0.9999996029744282 zeta(24)=1.607272964665224e-08 [2] xi(23)=0.0002961808110665225 xi_scaled(23)=0.9999995993434249 zeta(24)=-8.028416418384845e-09 Stats: nr=12 min=1 max=604 Emax=8.00143480491562 nrkept=597 nrkeptmult=597 Kept: 597 out of 2636, ratio=0.226 Memory used: 231 MB Time elapsed: 124 s ***** [DM] Iteration 25/30 (scale 0.00020943154387259482) ***** [1] xi(24)=0.000209431613735232 xi_scaled(24)=1.00000033358221 zeta(25)=8.21060156874325e-09 [2] xi(24)=0.0002094316133417722 xi_scaled(24)=1.000000331703506 zeta(25)=-4.101326591921858e-09 Stats: nr=11 min=5 max=538 Emax=8.009024382420476 nrkept=596 nrkeptmult=596 Kept: 596 out of 2388, ratio=0.25 Memory used: 231 MB Time elapsed: 124 s ***** [DM] Iteration 26/30 (scale 0.00014809046486667974) ***** [1] xi(25)=0.0001480903591245977 xi_scaled(25)=0.999999285962927 zeta(26)=4.192435978342013e-09 [2] xi(25)=0.0001480903589807242 xi_scaled(25)=0.9999992849914031 zeta(26)=-2.094230913216428e-09 Stats: nr=11 min=4 max=542 Emax=8.000235209973578 nrkept=560 nrkeptmult=560 Kept: 560 out of 2384, ratio=0.235 Memory used: 231 MB Time elapsed: 125 s ***** [DM] Iteration 27/30 (scale 0.00010471577193629741) ***** [1] xi(26)=0.000104715845841514 xi_scaled(26)=1.000000705769678 zeta(27)=2.139738481054069e-09 [2] xi(26)=0.0001047158457889483 xi_scaled(26)=1.000000705267693 zeta(27)=-1.068875698058742e-09 Stats: nr=11 min=5 max=502 Emax=8.004237495858634 nrkept=576 nrkeptmult=576 Kept: 576 out of 2240, ratio=0.257 Memory used: 231 MB Time elapsed: 125 s ***** [DM] Iteration 28/30 (scale 7.4045232433339868e-05) ***** [1] xi(27)=7.404512733621256e-05 xi_scaled(27)=0.9999985806361348 zeta(28)=1.091603235745947e-09 [2] xi(27)=7.404512731702286e-05 xi_scaled(27)=0.999998580376973 zeta(28)=-5.453048550094843e-10 Stats: nr=11 min=4 max=523 Emax=8.003697092131191 nrkept=545 nrkeptmult=545 Kept: 545 out of 2304, ratio=0.237 Memory used: 231 MB Time elapsed: 125 s ***** [DM] Iteration 29/30 (scale 5.2357885968148706e-05) ***** [1] xi(28)=5.235796001866346e-05 xi_scaled(28)=1.000001414314451 zeta(29)=5.567204987193558e-10 [2] xi(28)=5.235796001166484e-05 xi_scaled(28)=1.000001414180782 zeta(29)=-2.781118628431682e-10 Stats: nr=11 min=5 max=487 Emax=8.001318975422501 nrkept=567 nrkeptmult=567 Kept: 567 out of 2180, ratio=0.26 Memory used: 231 MB Time elapsed: 126 s ***** [DM] Iteration 30/30 (scale 3.7022616216669934e-05) ***** [1] xi(29)=3.702251158379867e-05 xi_scaled(29)=0.9999971738120653 zeta(30)=2.838012360083865e-10 [2] xi(29)=3.702251158124866e-05 xi_scaled(29)=0.9999971737431882 zeta(30)=-1.417764281450016e-10 Stats: nr=11 min=4 max=511 Emax=8.004342826978863 nrkept=2268 nrkeptmult=2268 Kept: 2268 out of 2268, ratio=1 Memory used: 231 MB Time elapsed: 126 s ** Iteration completed. Spectrum: A_d_d-A_d_d FDM [A_d_d-A_d_d] pos=0.4429758921276187 neg=0.557024107871983 sum= 0.9999999999996017 mu1=-0.00710675978944697 mu2=0.03342329622220865 mu3=0.0006983865220996088 mu4=0.01340186807334915 f=0.4429758921276187 b=0.4429758921276187 Spectrum: A_d_u-A_d_u FDM [A_d_u-A_d_u] pos=0.6400625348112252 neg=0.3599374651882369 sum= 0.9999999999994622 mu1=0.002882228561421679 mu2=0.002603980715766411 mu3=-9.125502596006661e-05 mu4=0.0008000333095543157 f=0.6400625348112252 b=0.6400625348112252 Spectrum: self_d_d-A_d_d FDM [self_d_d-A_d_d] pos=-0.0004373653816896883 neg=-0.006565761358895092 sum= -0.00700312674058478 mu1=0.0006333506332079004 mu2=-0.0002353739623104169 mu3=3.944311015484067e-05 mu4=-9.292057194278266e-05 f=-0.0004373653816896883 b=-0.0004373653816896883 Spectrum: self_d_u-A_d_u FDM [self_d_u-A_d_u] pos=0.004489800685332798 neg=-0.00163859529167931 sum= 0.002851205393653488 mu1=0.0006332538738805633 mu2=4.258126456483885e-05 mu3=5.991654915099002e-05 mu4=1.238452360172348e-05 f=0.004489800685332798 b=0.004489800685332798 Memory usage report =================== after diag: 474724 kB after recalc: 529712 kB after split: 474724 kB after trim: 474724 kB after trunc: 474724 kB diag_h: 241600 kB Peak usage: 529712 kB Timing report ============= All: 126 s DM: 1 s FDM: 10 s diag: 47 s recalc d: 34 s recalc s: 1 s spec d: 25 s Other: 5 s