NRG Ljubljana 2.4.3.31 - (c) Rok Zitko Timestamp: Mon Nov 13 12:55:52 2017 Compiled on Aug 14 2018 at 10:37:37 Compiled-in symmetry types: ANYJ DBLISOSZ DBLSU2 ISO ISO2 ISO2LR ISOLR ISOSZ ISOSZLR NONE P PP QJ QS QSC3 QSLR QST QSTZ QSZ QSZLR QSZTZ SL SL3 SPSU2 SPSU2C3 SPSU2LR SPSU2T SPU1 SPU1LR SU2 U1 No MPI: single node calculation. [OMP] Max. number of threads: 1 [OMP] Number of processors: 32 [OMP] Dynamic thread adjustment: 0 [OMP] Nested parallelism: 0 Using Intel MKL library 11.3.2 Processor optimization: Intel(R) Advanced Vector Extensions 2 (Intel(R) AVX2) enabled processors max_threads=1 blas_max_threads=1 dynamic=1 workdir=. substeps=0 Ninit=0 Lambda=2 strategy=kept lastall=1 lastalloverride=0 z=0.25 discretization=Z band=asymode bandrescale=1 betabar=1 T=1e-08 keep=10000 keepenergy=8 keepmin=200 log= logall=0 logenumber=10 smooth=old alpha=0.3 omega0=-1 omega0_ratio=1 brcut=0 loggauss_b=0.3 gauss_b=0.1 limitLL=0 eta=0 finite=0 bins=300 accumulation=0 linstep=0 discard_trim=1e-16 discard_immediately=1e-16 NN1=0 NN2even=1 NN2avg=0 NNtanh=0 goodE=2 savebins=1 broaden=0 broaden_max=2 broaden_min=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=old preccpp=2000 checksumrules=0 globalB=0 globalBx=0 polarized=1 pol2x2=0 mpi=0 noimag=1 dumpsubspaces=0 done=1 resume=0 forcestop=-1 stopafter= removefiles=1 dump_f=0 rungs=0 >> Input file for NRG Ljubljana, Rok Zitko, rok.zitko@ijs.si, 2005-2015 SYMMETRY TYPE: 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 0.1538768918959151 (-1) 4 states 0.05089433067244018 0.09918732356214655 0.1554693505947538 0.2615506604248429 (0) 6 states 0 0.06457135345582671 0.1007797822609853 0.1585680992013679 0.2101582744238593 0.2731093840138245 (1) 4 states 0.01370984020466962 0.1098040033833471 0.1833783343532629 0.2216841805915577 (2) 1 states 0.134614238535242 Number of states (multiplicity taken into account): 16 Computing the following operators: s=[] p=[] g=[] d=[A_d_d A_d_u self_d_d self_d_u ] v=[] t=[] q=[] ot=[] Computing the following spectra: Before NRG iteration (N=-1) =-2.441672750915627e-06 =1.000003779649413 ***** [NRG] Iteration 1/30 (scale 1.2131570881878404) ***** [1] xi(0)=0.5697372092397476 xi_scaled(0)=0.4696318512970117 zeta(1)=0.008607350554269911 [2] xi(0)=0.5726028298419936 xi_scaled(0)=0.4719939696328379 zeta(1)=-0.00459007150307045 Stats: nr=7 min=1 max=20 Emax=1.952344138498944 nrkept=64 nrkeptmult=64 Total energy=-1.19677731555782 Egs=-0.7825041915257961 Kept: 64 out of 64, ratio=1 =-6.636237724646262e-06 =1.000010205829782 Memory used: 46 MB Time elapsed: 0 s ***** [NRG] Iteration 2/30 (scale 0.85783160370214839) ***** [1] xi(1)=0.5417779094519085 xi_scaled(1)=0.6315667400382018 zeta(2)=-0.008706378235591226 [2] xi(1)=0.5413437247073125 xi_scaled(1)=0.6310605978737931 zeta(2)=0.004371524155636901 Stats: nr=9 min=1 max=70 Emax=4.064757824682492 nrkept=256 nrkeptmult=256 Total energy=-1.756417313635693 Egs=-0.6523891118753748 Kept: 256 out of 256, ratio=1 =-1.809825972035472e-05 =1.000027571119846 Memory used: 63 MB Time elapsed: 0 s ***** [NRG] Iteration 3/30 (scale 0.6065785440939202) ***** [1] xi(2)=0.5906662647824749 xi_scaled(2)=0.9737671576642817 zeta(3)=0.01259166670086588 [2] xi(2)=0.590963815494308 xi_scaled(2)=0.9742576971248846 zeta(3)=-0.006263717022248643 Stats: nr=11 min=1 max=252 Emax=8.000502767716341 nrkept=1017 nrkeptmult=1017 Total energy=-2.626264046617711 Egs=-1.434021597782287 Kept: 1017 out of 1024, ratio=0.993 =-5.084225038437281e-05 =1.000071233555492 Memory used: 79 MB Time elapsed: 0 s ***** [NRG] Iteration 4/30 (scale 0.4289158018510742) ***** [1] xi(3)=0.5166546725927363 xi_scaled(3)=1.204559660341277 zeta(4)=0.02589003439856431 [2] xi(3)=0.5163145853513578 xi_scaled(3)=1.203766760569548 zeta(4)=-0.01281806440646165 Stats: nr=13 min=1 max=915 Emax=8.04011419040688 nrkept=2401 nrkeptmult=2401 Total energy=-3.1782963411476 Egs=-1.287041167864371 Kept: 2401 out of 4068, ratio=0.59 =-0.0001180942515192326 =1.000172290003428 Memory used: 144 MB Time elapsed: 1 s ***** [NRG] Iteration 5/30 (scale 0.3032892720469601) ***** [1] xi(4)=0.3414089876755687 xi_scaled(4)=1.125687649191582 zeta(5)=0.01274279885638471 [2] xi(4)=0.3408501854242368 xi_scaled(4)=1.123845176335353 zeta(5)=-0.006308952341290791 Stats: nr=15 min=1 max=2006 Emax=8.000255173930773 nrkept=2749 nrkeptmult=2749 Total energy=-3.614968504728513 Egs=-1.43978770048055 Kept: 2749 out of 9604, ratio=0.286 =-0.0002692671347979364 =1.000407635106445 Memory used: 203 MB Time elapsed: 12 s ***** [NRG] Iteration 6/30 (scale 0.2144579009255371) ***** [1] xi(5)=0.2217216241897312 xi_scaled(5)=1.033870159284624 zeta(6)=0.005334335889106553 [2] xi(5)=0.2215216229091437 xi_scaled(5)=1.032937569346346 zeta(6)=-0.002650848975280099 Stats: nr=13 min=8 max=2272 Emax=8.0003983623459 nrkept=2591 nrkeptmult=2591 Total energy=-3.847791566104608 Egs=-1.085635270938026 Kept: 2591 out of 10996, ratio=0.236 =-0.0005766568081667063 =1.000789287895214 Memory used: 194 MB Time elapsed: 28 s ***** [NRG] Iteration 7/30 (scale 0.15164463602348005) ***** [1] xi(6)=0.1529945311849741 xi_scaled(6)=1.008901700692433 zeta(7)=0.002592569111777703 [2] xi(6)=0.1529311428743152 xi_scaled(6)=1.008483695068753 zeta(7)=-0.001291548786201354 Stats: nr=13 min=6 max=2152 Emax=8.005178795731968 nrkept=1971 nrkeptmult=1971 Total energy=-4.043263022547781 Egs=-1.289010027449346 Kept: 1971 out of 10364, ratio=0.19 =-0.001102560244490526 =1.001416325400786 Memory used: 240 MB Time elapsed: 42 s ***** [NRG] Iteration 8/30 (scale 0.10722895046276855) ***** [1] xi(7)=0.1075832002064991 xi_scaled(7)=1.003303676313176 zeta(8)=0.001325062838986737 [2] xi(7)=0.1075603824405159 xi_scaled(7)=1.003090881485989 zeta(8)=-0.0006609130495754314 Stats: nr=13 min=5 max=1656 Emax=8.001010106574936 nrkept=1942 nrkeptmult=1942 Total energy=-4.16259910765685 Egs=-1.112909196574708 Kept: 1942 out of 7884, ratio=0.246 =-0.00190531417749678 =1.002246753543027 Memory used: 205 MB Time elapsed: 48 s ***** [NRG] Iteration 9/30 (scale 0.075822318011740025) ***** [1] xi(8)=0.07593435982354418 xi_scaled(8)=1.00147768908604 zeta(9)=0.0006828563743576431 [2] xi(8)=0.07592583056770189 xi_scaled(8)=1.00136519904266 zeta(9)=-0.0003408136296494219 Stats: nr=13 min=4 max=1633 Emax=8.000996274228797 nrkept=1769 nrkeptmult=1769 Total energy=-4.255687628658023 Egs=-1.227719271082696 Kept: 1769 out of 7768, ratio=0.228 =-0.00308525499698295 =1.003196772271619 Memory used: 208 MB Time elapsed: 54 s ***** [NRG] Iteration 10/30 (scale 0.053614475231384275) ***** [1] xi(9)=0.05365230704463572 xi_scaled(9)=1.000705626849618 zeta(10)=0.0003523254067264962 [2] xi(9)=0.05364910738574692 xi_scaled(9)=1.000645947838027 zeta(10)=-0.0001759083325705784 Stats: nr=13 min=4 max=1490 Emax=8.000867061102891 nrkept=1674 nrkeptmult=1674 Total energy=-4.317895703854718 Egs=-1.160285070929488 Kept: 1674 out of 7076, ratio=0.237 =-0.00469403770279999 =1.0040967235897 Memory used: 254 MB Time elapsed: 59 s ***** [NRG] Iteration 11/30 (scale 0.037911159005870013) ***** [1] xi(10)=0.03792429061025011 xi_scaled(10)=1.000346378341482 zeta(11)=0.0001817475641659821 [2] xi(10)=0.03792309104127718 xi_scaled(10)=1.00031473676142 zeta(11)=-9.076099328330976e-05 Stats: nr=13 min=3 max=1433 Emax=8.002183469100807 nrkept=1512 nrkeptmult=1512 Total energy=-4.362322870867421 Egs=-1.171875726770167 Kept: 1512 out of 6696, ratio=0.226 =-0.006822645389387913 =1.004542048013057 Memory used: 254 MB Time elapsed: 63 s ***** [NRG] Iteration 12/30 (scale 0.026807237615692137) ***** [1] xi(11)=0.0268118549732265 xi_scaled(11)=1.000172242944258 zeta(12)=9.369681526044458e-05 [2] xi(11)=0.02681140717623972 xi_scaled(11)=1.000155538612645 zeta(12)=-4.67959375003683e-05 Stats: nr=13 min=1 max=1295 Emax=8.004701590843563 nrkept=1414 nrkeptmult=1414 Total energy=-4.394729350203528 Egs=-1.208870522233074 Kept: 1414 out of 6048, ratio=0.234 =-0.009494164343062226 =1.004246688489639 Memory used: 254 MB Time elapsed: 66 s ***** [NRG] Iteration 13/30 (scale 0.018955579502935006) ***** [1] xi(12)=0.01895721404061316 xi_scaled(12)=1.000086229897529 zeta(13)=4.826747493618031e-05 [2] xi(12)=0.01895704636866277 xi_scaled(12)=1.00007738437791 zeta(13)=-2.410855311884935e-05 Stats: nr=13 min=2 max=1226 Emax=8.000700679651015 nrkept=1341 nrkeptmult=1341 Total energy=-4.41593119263793 Egs=-1.118501411741001 Kept: 1341 out of 5656, ratio=0.237 =-0.01289284463253838 =1.002780532674627 Memory used: 254 MB Time elapsed: 69 s ***** [NRG] Iteration 14/30 (scale 0.013403618807846069) ***** [1] xi(13)=0.01340419864190352 xi_scaled(13)=1.00004325951564 zeta(14)=2.484519383305762e-05 [2] xi(13)=0.0134041369467277 xi_scaled(13)=1.000038656641095 zeta(14)=-1.241029551942582e-05 Stats: nr=13 min=1 max=1157 Emax=8.007972268702805 nrkept=1200 nrkeptmult=1200 Total energy=-4.432782594196757 Egs=-1.25722775322161 Kept: 1200 out of 5364, ratio=0.224 =-0.01710431502074828 =0.9999693654955679 Memory used: 254 MB Time elapsed: 71 s ***** [NRG] Iteration 15/30 (scale 0.0094777897514675032) ***** [1] xi(14)=0.00947799633592559 xi_scaled(14)=1.00002179669137 zeta(15)=1.277884058700996e-05 [2] xi(14)=0.009477972800219508 xi_scaled(14)=1.000019313442987 zeta(15)=-6.383342055128821e-06 Stats: nr=13 min=1 max=1052 Emax=8.00014891999982 nrkept=1149 nrkeptmult=1149 Total energy=-4.442912884800489 Egs=-1.068845254998702 Kept: 1149 out of 4800, ratio=0.239 =-0.02232005565674422 =0.9955390412651948 Memory used: 254 MB Time elapsed: 72 s ***** [NRG] Iteration 16/30 (scale 0.0067018094039230343) ***** [1] xi(15)=0.006701882443861146 xi_scaled(15)=1.000010898540037 zeta(16)=6.567670094723471e-06 [2] xi(15)=0.006701874437598918 xi_scaled(15)=1.000009703898151 zeta(16)=-3.280819382094189e-06 Stats: nr=13 min=1 max=1015 Emax=8.001849063668363 nrkept=1038 nrkeptmult=1038 Total energy=-4.451647020481444 Egs=-1.303250384268256 Kept: 1038 out of 4596, ratio=0.226 =-0.02877795355452286 =0.989471128143937 Memory used: 254 MB Time elapsed: 74 s ***** [NRG] Iteration 17/30 (scale 0.0047388948757337516) ***** [1] xi(16)=0.004738921281122037 xi_scaled(16)=1.000005572056139 zeta(17)=3.372999189422783e-06 [2] xi(16)=0.004738917702548751 xi_scaled(16)=1.00000481690681 zeta(17)=-1.684995085115644e-06 Stats: nr=13 min=1 max=921 Emax=8.000604501514541 nrkept=1020 nrkeptmult=1020 Total energy=-4.456509883330225 Egs=-1.026159679903899 Kept: 1020 out of 4152, ratio=0.246 =-0.03649428613637042 =0.9818292468018798 Memory used: 254 MB Time elapsed: 75 s ***** [NRG] Iteration 18/30 (scale 0.0033509047019615172) ***** [1] xi(17)=0.003350913627938447 xi_scaled(17)=1.000002663751352 zeta(18)=1.731089172094139e-06 [2] xi(17)=0.003350913025427913 xi_scaled(17)=1.000002483946019 zeta(18)=-8.647953518651112e-07 Stats: nr=13 min=1 max=900 Emax=8.003935404556517 nrkept=908 nrkeptmult=908 Total energy=-4.461010380457044 Egs=-1.343069268483141 Kept: 908 out of 4080, ratio=0.223 =-0.04558666479259579 =0.9725891318790736 Memory used: 254 MB Time elapsed: 77 s ***** [NRG] Iteration 19/30 (scale 0.0023694474378668758) ***** [1] xi(18)=0.002369451018842617 xi_scaled(18)=1.000001511312589 zeta(19)=8.878423343583803e-07 [2] xi(18)=0.0023694501827443 xi_scaled(18)=1.000001158446219 zeta(19)=-4.43545816754418e-07 Stats: nr=13 min=1 max=811 Emax=8.001202577870551 nrkept=916 nrkeptmult=916 Total energy=-4.463364588170789 Egs=-0.9935682371008144 Kept: 916 out of 3632, ratio=0.252 =-0.05557591896456642 =0.9622774653759402 Memory used: 254 MB Time elapsed: 78 s ***** [NRG] Iteration 20/30 (scale 0.0016754523509807586) ***** [1] xi(19)=0.001675453150664722 xi_scaled(19)=1.000000477294363 zeta(20)=4.55072042016887e-07 [2] xi(19)=0.001675453560889997 xi_scaled(19)=1.000000722138853 zeta(20)=-2.273492702250534e-07 Stats: nr=13 min=1 max=815 Emax=8.000071053835905 nrkept=794 nrkeptmult=794 Total energy=-4.465665482795785 Egs=-1.373297559700572 Kept: 794 out of 3664, ratio=0.217 =-0.06601276659079387 =0.9514241904300779 Memory used: 254 MB Time elapsed: 79 s ***** [NRG] Iteration 21/30 (scale 0.0011847237189334379) ***** [1] xi(20)=0.001184724404409129 xi_scaled(20)=1.000000578595398 zeta(21)=2.331088046673967e-07 [2] xi(20)=0.001184723944628738 xi_scaled(20)=1.000000190504585 zeta(21)=-1.16460472094333e-07 Stats: nr=12 min=1 max=713 Emax=8.001314069301293 nrkept=790 nrkeptmult=790 Total energy=-4.466816701677168 Egs=-0.9717192818756616 Kept: 790 out of 3176, ratio=0.249 =-0.07581608641482385 =0.9411747809903317 Memory used: 254 MB Time elapsed: 79 s ***** [NRG] Iteration 22/30 (scale 0.00083772617549037929) ***** [1] xi(21)=0.0008377259471890804 xi_scaled(21)=0.9999997274750324 zeta(22)=1.193460023407282e-07 [2] xi(21)=0.000837726491308679 xi_scaled(21)=1.000000376994666 zeta(22)=-5.962647176848468e-08 Stats: nr=12 min=1 max=710 Emax=8.005088417145499 nrkept=695 nrkeptmult=695 Total energy=-4.467983952258292 Egs=-1.393355747109926 Kept: 695 out of 3160, ratio=0.22 =-0.0841984707735023 =0.9323757442570976 Memory used: 254 MB Time elapsed: 80 s ***** [NRG] Iteration 23/30 (scale 0.00059236185946671895) ***** [1] xi(22)=0.0005923621723342358 xi_scaled(22)=1.000000528169584 zeta(23)=6.106149772174118e-08 [2] xi(22)=0.0005923617716365947 xi_scaled(22)=0.9999998517289342 zeta(23)=-3.050718851433784e-08 Stats: nr=11 min=5 max=626 Emax=8.011799209163506 nrkept=704 nrkeptmult=704 Total energy=-4.468551812411464 Egs=-0.9586372655450223 Kept: 704 out of 2780, ratio=0.253 =-0.09054357694091855 =0.925708293629759 Memory used: 254 MB Time elapsed: 81 s ***** [NRG] Iteration 24/30 (scale 0.00041886308774518965) ***** [1] xi(23)=0.0004188627393487936 xi_scaled(23)=0.9999991682332336 zeta(24)=3.12355112378297e-08 [2] xi(23)=0.0004188632861796358 xi_scaled(23)=1.000000473745364 zeta(24)=-1.560619451485153e-08 Stats: nr=12 min=1 max=635 Emax=8.001205691497903 nrkept=622 nrkeptmult=622 Total energy=-4.469140427643712 Egs=-1.405268808519027 Kept: 622 out of 2816, ratio=0.221 =-0.09488847204754008 =0.9211264665060104 Memory used: 254 MB Time elapsed: 81 s ***** [NRG] Iteration 25/30 (scale 0.00029618092973335947) ***** [1] xi(24)=0.0002961811745818012 xi_scaled(24)=1.000000826685371 zeta(25)=1.595749414112334e-08 [2] xi(24)=0.0002961808129264301 xi_scaled(24)=0.9999996056230579 zeta(25)=-7.97282296422713e-09 Stats: nr=11 min=5 max=560 Emax=8.002400220543763 nrkept=621 nrkeptmult=621 Total energy=-4.46942221698607 Egs=-0.9514094732946741 Kept: 621 out of 2488, ratio=0.25 =-0.09758334572527337 =0.9182874145879869 Memory used: 254 MB Time elapsed: 81 s ***** [NRG] Iteration 26/30 (scale 0.00020943154387259482) ***** [1] xi(25)=0.0002094312187755073 xi_scaled(25)=0.9999984477167027 zeta(26)=8.162020432357584e-09 [2] xi(25)=0.0002094317082967642 xi_scaled(25)=1.000000785097442 zeta(26)=-4.078150286582353e-09 Stats: nr=12 min=1 max=566 Emax=8.001355616150404 nrkept=573 nrkeptmult=573 Total energy=-4.469717897861441 Egs=-1.411825887851034 Kept: 573 out of 2484, ratio=0.231 =-0.09906018274523637 =0.9167288317158662 Memory used: 254 MB Time elapsed: 82 s ***** [NRG] Iteration 27/30 (scale 0.00014809046486667974) ***** [1] xi(26)=0.0001480906281993195 xi_scaled(26)=1.000001102924756 zeta(27)=4.167480181399858e-09 [2] xi(26)=0.000148090380879813 xi_scaled(26)=0.99999943286783 zeta(27)=-2.082254826370363e-09 Stats: nr=11 min=5 max=516 Emax=8.003299775030738 nrkept=583 nrkeptmult=583 Total energy=-4.469858229101662 Egs=-0.9476048329436263 Kept: 583 out of 2292, ratio=0.254 =-0.09987041888568954 =0.9158738525125008 Memory used: 254 MB Time elapsed: 82 s ***** [NRG] Iteration 28/30 (scale 0.00010471577193629741) ***** [1] xi(27)=0.0001047155659424481 xi_scaled(27)=0.9999980328288139 zeta(28)=2.109944349229037e-09 [2] xi(27)=0.0001047158739906381 xi_scaled(27)=1.000000974584237 zeta(28)=-1.054263429054811e-09 Stats: nr=11 min=4 max=529 Emax=8.000788037573107 nrkept=549 nrkeptmult=549 Total energy=-4.470006430677021 Egs=-1.415274629777069 Kept: 549 out of 2332, ratio=0.235 =-0.10028019825905 =0.9154413512199751 Memory used: 254 MB Time elapsed: 82 s ***** [NRG] Iteration 29/30 (scale 7.4045232433339868e-05) ***** [1] xi(28)=7.404522198883091e-05 xi_scaled(28)=0.9999998589442073 zeta(29)=1.122415773644325e-09 [2] xi(28)=7.40452343341289e-05 xi_scaled(28)=1.000000025670647 zeta(29)=-5.608461858264643e-10 Stats: nr=11 min=5 max=492 Emax=8.008199053664914 nrkept=573 nrkeptmult=573 Total energy=-4.470076451768928 Egs=-0.9456529422104878 Kept: 573 out of 2196, ratio=0.261 =-0.1004943831394377 =0.9152153921189377 Memory used: 254 MB Time elapsed: 83 s ***** [NRG] Iteration 30/30 (scale 5.2357885968148706e-05) ***** [1] xi(29)=5.23577865049624e-05 xi_scaled(29)=0.9999981003208119 zeta(30)=5.835309232060155e-10 [2] xi(29)=5.235793440170501e-05 xi_scaled(29)=1.000000925047973 zeta(30)=-2.91591982579804e-10 Stats: nr=11 min=4 max=518 Emax=8.004437728205657 nrkept=2292 nrkeptmult=2292 Total energy=-4.470150645202833 Egs=-1.417044109646461 Kept: 2292 out of 2292, ratio=1 =-0.1005956004828367 =0.9151085370264234 Memory used: 254 MB Time elapsed: 83 s ** Iteration completed. Total energy: -4.470150645202833 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 0.1538768918959151 (-1) 4 states 0.05089433067244018 0.09918732356214655 0.1554693505947538 0.2615506604248429 (0) 6 states 0 0.06457135345582671 0.1007797822609853 0.1585680992013679 0.2101582744238593 0.2731093840138245 (1) 4 states 0.01370984020466962 0.1098040033833471 0.1833783343532629 0.2216841805915577 (2) 1 states 0.134614238535242 Number of states (multiplicity taken into account): 16 Computing the following operators: s=[] p=[] g=[] d=[A_d_d A_d_u self_d_d self_d_u ] v=[] t=[] q=[] ot=[] Computing the following spectra: Spectrum: A_d_d-A_d_d FDM Spectrum: A_d_u-A_d_u FDM Spectrum: self_d_d-A_d_d FDM Spectrum: self_d_u-A_d_u FDM ***** [DM] Iteration 1/30 (scale 1.2131570881878404) ***** [1] xi(0)=0.5697372092397476 xi_scaled(0)=0.4696318512970117 zeta(1)=0.008607350554269911 [2] xi(0)=0.5726028298419936 xi_scaled(0)=0.4719939696328379 zeta(1)=-0.00459007150307045 Stats: nr=7 min=1 max=20 Emax=1.952344138498944 nrkept=64 nrkeptmult=64 Kept: 64 out of 64, ratio=1 Memory used: 194 MB Time elapsed: 103 s ***** [DM] Iteration 2/30 (scale 0.85783160370214839) ***** [1] xi(1)=0.5417779094519085 xi_scaled(1)=0.6315667400382018 zeta(2)=-0.008706378235591226 [2] xi(1)=0.5413437247073125 xi_scaled(1)=0.6310605978737931 zeta(2)=0.004371524155636901 Stats: nr=9 min=1 max=70 Emax=4.064757824682492 nrkept=256 nrkeptmult=256 Kept: 256 out of 256, ratio=1 Memory used: 194 MB Time elapsed: 103 s ***** [DM] Iteration 3/30 (scale 0.6065785440939202) ***** [1] xi(2)=0.5906662647824749 xi_scaled(2)=0.9737671576642817 zeta(3)=0.01259166670086588 [2] xi(2)=0.590963815494308 xi_scaled(2)=0.9742576971248846 zeta(3)=-0.006263717022248643 Stats: nr=11 min=1 max=252 Emax=8.000502767716341 nrkept=1017 nrkeptmult=1017 Kept: 1017 out of 1024, ratio=0.993 Memory used: 194 MB Time elapsed: 103 s ***** [DM] Iteration 4/30 (scale 0.4289158018510742) ***** [1] xi(3)=0.5166546725927363 xi_scaled(3)=1.204559660341277 zeta(4)=0.02589003439856431 [2] xi(3)=0.5163145853513578 xi_scaled(3)=1.203766760569548 zeta(4)=-0.01281806440646165 Stats: nr=13 min=1 max=915 Emax=8.04011419040688 nrkept=2401 nrkeptmult=2401 Kept: 2401 out of 4068, ratio=0.59 Memory used: 216 MB Time elapsed: 105 s ***** [DM] Iteration 5/30 (scale 0.3032892720469601) ***** [1] xi(4)=0.3414089876755687 xi_scaled(4)=1.125687649191582 zeta(5)=0.01274279885638471 [2] xi(4)=0.3408501854242368 xi_scaled(4)=1.123845176335353 zeta(5)=-0.006308952341290791 Stats: nr=15 min=1 max=2006 Emax=8.000255173930773 nrkept=2749 nrkeptmult=2749 Kept: 2749 out of 9604, ratio=0.286 Memory used: 302 MB Time elapsed: 117 s ***** [DM] Iteration 6/30 (scale 0.2144579009255371) ***** [1] xi(5)=0.2217216241897312 xi_scaled(5)=1.033870159284624 zeta(6)=0.005334335889106553 [2] xi(5)=0.2215216229091437 xi_scaled(5)=1.032937569346346 zeta(6)=-0.002650848975280099 Stats: nr=13 min=8 max=2272 Emax=8.0003983623459 nrkept=2591 nrkeptmult=2591 Kept: 2591 out of 10996, ratio=0.236 Memory used: 442 MB Time elapsed: 132 s ***** [DM] Iteration 7/30 (scale 0.15164463602348005) ***** [1] xi(6)=0.1529945311849741 xi_scaled(6)=1.008901700692433 zeta(7)=0.002592569111777703 [2] xi(6)=0.1529311428743152 xi_scaled(6)=1.008483695068753 zeta(7)=-0.001291548786201354 Stats: nr=13 min=6 max=2152 Emax=8.005178795731968 nrkept=1971 nrkeptmult=1971 Kept: 1971 out of 10364, ratio=0.19 Memory used: 300 MB Time elapsed: 144 s ***** [DM] Iteration 8/30 (scale 0.10722895046276855) ***** [1] xi(7)=0.1075832002064991 xi_scaled(7)=1.003303676313176 zeta(8)=0.001325062838986737 [2] xi(7)=0.1075603824405159 xi_scaled(7)=1.003090881485989 zeta(8)=-0.0006609130495754314 Stats: nr=13 min=5 max=1656 Emax=8.001010106574936 nrkept=1942 nrkeptmult=1942 Kept: 1942 out of 7884, ratio=0.246 Memory used: 428 MB Time elapsed: 151 s ***** [DM] Iteration 9/30 (scale 0.075822318011740025) ***** [1] xi(8)=0.07593435982354418 xi_scaled(8)=1.00147768908604 zeta(9)=0.0006828563743576431 [2] xi(8)=0.07592583056770189 xi_scaled(8)=1.00136519904266 zeta(9)=-0.0003408136296494219 Stats: nr=13 min=4 max=1633 Emax=8.000996274228797 nrkept=1769 nrkeptmult=1769 Kept: 1769 out of 7768, ratio=0.228 Memory used: 428 MB Time elapsed: 157 s ***** [DM] Iteration 10/30 (scale 0.053614475231384275) ***** [1] xi(9)=0.05365230704463572 xi_scaled(9)=1.000705626849618 zeta(10)=0.0003523254067264962 [2] xi(9)=0.05364910738574692 xi_scaled(9)=1.000645947838027 zeta(10)=-0.0001759083325705784 Stats: nr=13 min=4 max=1490 Emax=8.000867061102891 nrkept=1674 nrkeptmult=1674 Kept: 1674 out of 7076, ratio=0.237 Memory used: 458 MB Time elapsed: 162 s ***** [DM] Iteration 11/30 (scale 0.037911159005870013) ***** [1] xi(10)=0.03792429061025011 xi_scaled(10)=1.000346378341482 zeta(11)=0.0001817475641659821 [2] xi(10)=0.03792309104127718 xi_scaled(10)=1.00031473676142 zeta(11)=-9.076099328330976e-05 Stats: nr=13 min=3 max=1433 Emax=8.002183469100807 nrkept=1512 nrkeptmult=1512 Kept: 1512 out of 6696, ratio=0.226 Memory used: 458 MB Time elapsed: 167 s ***** [DM] Iteration 12/30 (scale 0.026807237615692137) ***** [1] xi(11)=0.0268118549732265 xi_scaled(11)=1.000172242944258 zeta(12)=9.369681526044458e-05 [2] xi(11)=0.02681140717623972 xi_scaled(11)=1.000155538612645 zeta(12)=-4.67959375003683e-05 Stats: nr=13 min=1 max=1295 Emax=8.004701590843563 nrkept=1414 nrkeptmult=1414 Kept: 1414 out of 6048, ratio=0.234 Memory used: 458 MB Time elapsed: 170 s ***** [DM] Iteration 13/30 (scale 0.018955579502935006) ***** [1] xi(12)=0.01895721404061316 xi_scaled(12)=1.000086229897529 zeta(13)=4.826747493618031e-05 [2] xi(12)=0.01895704636866277 xi_scaled(12)=1.00007738437791 zeta(13)=-2.410855311884935e-05 Stats: nr=13 min=2 max=1226 Emax=8.000700679651015 nrkept=1341 nrkeptmult=1341 Kept: 1341 out of 5656, ratio=0.237 Memory used: 458 MB Time elapsed: 173 s ***** [DM] Iteration 14/30 (scale 0.013403618807846069) ***** [1] xi(13)=0.01340419864190352 xi_scaled(13)=1.00004325951564 zeta(14)=2.484519383305762e-05 [2] xi(13)=0.0134041369467277 xi_scaled(13)=1.000038656641095 zeta(14)=-1.241029551942582e-05 Stats: nr=13 min=1 max=1157 Emax=8.007972268702805 nrkept=1200 nrkeptmult=1200 Kept: 1200 out of 5364, ratio=0.224 Memory used: 458 MB Time elapsed: 176 s ***** [DM] Iteration 15/30 (scale 0.0094777897514675032) ***** [1] xi(14)=0.00947799633592559 xi_scaled(14)=1.00002179669137 zeta(15)=1.277884058700996e-05 [2] xi(14)=0.009477972800219508 xi_scaled(14)=1.000019313442987 zeta(15)=-6.383342055128821e-06 Stats: nr=13 min=1 max=1052 Emax=8.00014891999982 nrkept=1149 nrkeptmult=1149 Kept: 1149 out of 4800, ratio=0.239 Memory used: 458 MB Time elapsed: 178 s ***** [DM] Iteration 16/30 (scale 0.0067018094039230343) ***** [1] xi(15)=0.006701882443861146 xi_scaled(15)=1.000010898540037 zeta(16)=6.567670094723471e-06 [2] xi(15)=0.006701874437598918 xi_scaled(15)=1.000009703898151 zeta(16)=-3.280819382094189e-06 Stats: nr=13 min=1 max=1015 Emax=8.001849063668363 nrkept=1038 nrkeptmult=1038 Kept: 1038 out of 4596, ratio=0.226 Memory used: 458 MB Time elapsed: 180 s ***** [DM] Iteration 17/30 (scale 0.0047388948757337516) ***** [1] xi(16)=0.004738921281122037 xi_scaled(16)=1.000005572056139 zeta(17)=3.372999189422783e-06 [2] xi(16)=0.004738917702548751 xi_scaled(16)=1.00000481690681 zeta(17)=-1.684995085115644e-06 Stats: nr=13 min=1 max=921 Emax=8.000604501514541 nrkept=1020 nrkeptmult=1020 Kept: 1020 out of 4152, ratio=0.246 Memory used: 458 MB Time elapsed: 181 s ***** [DM] Iteration 18/30 (scale 0.0033509047019615172) ***** [1] xi(17)=0.003350913627938447 xi_scaled(17)=1.000002663751352 zeta(18)=1.731089172094139e-06 [2] xi(17)=0.003350913025427913 xi_scaled(17)=1.000002483946019 zeta(18)=-8.647953518651112e-07 Stats: nr=13 min=1 max=900 Emax=8.003935404556517 nrkept=908 nrkeptmult=908 Kept: 908 out of 4080, ratio=0.223 Memory used: 458 MB Time elapsed: 182 s ***** [DM] Iteration 19/30 (scale 0.0023694474378668758) ***** [1] xi(18)=0.002369451018842617 xi_scaled(18)=1.000001511312589 zeta(19)=8.878423343583803e-07 [2] xi(18)=0.0023694501827443 xi_scaled(18)=1.000001158446219 zeta(19)=-4.43545816754418e-07 Stats: nr=13 min=1 max=811 Emax=8.001202577870551 nrkept=916 nrkeptmult=916 Kept: 916 out of 3632, ratio=0.252 Memory used: 458 MB Time elapsed: 183 s ***** [DM] Iteration 20/30 (scale 0.0016754523509807586) ***** [1] xi(19)=0.001675453150664722 xi_scaled(19)=1.000000477294363 zeta(20)=4.55072042016887e-07 [2] xi(19)=0.001675453560889997 xi_scaled(19)=1.000000722138853 zeta(20)=-2.273492702250534e-07 Stats: nr=13 min=1 max=815 Emax=8.000071053835905 nrkept=794 nrkeptmult=794 Kept: 794 out of 3664, ratio=0.217 Memory used: 458 MB Time elapsed: 184 s ***** [DM] Iteration 21/30 (scale 0.0011847237189334379) ***** [1] xi(20)=0.001184724404409129 xi_scaled(20)=1.000000578595398 zeta(21)=2.331088046673967e-07 [2] xi(20)=0.001184723944628738 xi_scaled(20)=1.000000190504585 zeta(21)=-1.16460472094333e-07 Stats: nr=12 min=1 max=713 Emax=8.001314069301293 nrkept=790 nrkeptmult=790 Kept: 790 out of 3176, ratio=0.249 Memory used: 458 MB Time elapsed: 185 s ***** [DM] Iteration 22/30 (scale 0.00083772617549037929) ***** [1] xi(21)=0.0008377259471890804 xi_scaled(21)=0.9999997274750324 zeta(22)=1.193460023407282e-07 [2] xi(21)=0.000837726491308679 xi_scaled(21)=1.000000376994666 zeta(22)=-5.962647176848468e-08 Stats: nr=12 min=1 max=710 Emax=8.005088417145499 nrkept=695 nrkeptmult=695 Kept: 695 out of 3160, ratio=0.22 Memory used: 458 MB Time elapsed: 186 s ***** [DM] Iteration 23/30 (scale 0.00059236185946671895) ***** [1] xi(22)=0.0005923621723342358 xi_scaled(22)=1.000000528169584 zeta(23)=6.106149772174118e-08 [2] xi(22)=0.0005923617716365947 xi_scaled(22)=0.9999998517289342 zeta(23)=-3.050718851433784e-08 Stats: nr=11 min=5 max=626 Emax=8.011799209163506 nrkept=704 nrkeptmult=704 Kept: 704 out of 2780, ratio=0.253 Memory used: 458 MB Time elapsed: 186 s ***** [DM] Iteration 24/30 (scale 0.00041886308774518965) ***** [1] xi(23)=0.0004188627393487936 xi_scaled(23)=0.9999991682332336 zeta(24)=3.12355112378297e-08 [2] xi(23)=0.0004188632861796358 xi_scaled(23)=1.000000473745364 zeta(24)=-1.560619451485153e-08 Stats: nr=12 min=1 max=635 Emax=8.001205691497903 nrkept=622 nrkeptmult=622 Kept: 622 out of 2816, ratio=0.221 Memory used: 458 MB Time elapsed: 187 s ***** [DM] Iteration 25/30 (scale 0.00029618092973335947) ***** [1] xi(24)=0.0002961811745818012 xi_scaled(24)=1.000000826685371 zeta(25)=1.595749414112334e-08 [2] xi(24)=0.0002961808129264301 xi_scaled(24)=0.9999996056230579 zeta(25)=-7.97282296422713e-09 Stats: nr=11 min=5 max=560 Emax=8.002400220543763 nrkept=621 nrkeptmult=621 Kept: 621 out of 2488, ratio=0.25 Memory used: 458 MB Time elapsed: 187 s ***** [DM] Iteration 26/30 (scale 0.00020943154387259482) ***** [1] xi(25)=0.0002094312187755073 xi_scaled(25)=0.9999984477167027 zeta(26)=8.162020432357584e-09 [2] xi(25)=0.0002094317082967642 xi_scaled(25)=1.000000785097442 zeta(26)=-4.078150286582353e-09 Stats: nr=12 min=1 max=566 Emax=8.001355616150404 nrkept=573 nrkeptmult=573 Kept: 573 out of 2484, ratio=0.231 Memory used: 458 MB Time elapsed: 188 s ***** [DM] Iteration 27/30 (scale 0.00014809046486667974) ***** [1] xi(26)=0.0001480906281993195 xi_scaled(26)=1.000001102924756 zeta(27)=4.167480181399858e-09 [2] xi(26)=0.000148090380879813 xi_scaled(26)=0.99999943286783 zeta(27)=-2.082254826370363e-09 Stats: nr=11 min=5 max=516 Emax=8.003299775030738 nrkept=583 nrkeptmult=583 Kept: 583 out of 2292, ratio=0.254 Memory used: 458 MB Time elapsed: 188 s ***** [DM] Iteration 28/30 (scale 0.00010471577193629741) ***** [1] xi(27)=0.0001047155659424481 xi_scaled(27)=0.9999980328288139 zeta(28)=2.109944349229037e-09 [2] xi(27)=0.0001047158739906381 xi_scaled(27)=1.000000974584237 zeta(28)=-1.054263429054811e-09 Stats: nr=11 min=4 max=529 Emax=8.000788037573107 nrkept=549 nrkeptmult=549 Kept: 549 out of 2332, ratio=0.235 Memory used: 458 MB Time elapsed: 188 s ***** [DM] Iteration 29/30 (scale 7.4045232433339868e-05) ***** [1] xi(28)=7.404522198883091e-05 xi_scaled(28)=0.9999998589442073 zeta(29)=1.122415773644325e-09 [2] xi(28)=7.40452343341289e-05 xi_scaled(28)=1.000000025670647 zeta(29)=-5.608461858264643e-10 Stats: nr=11 min=5 max=492 Emax=8.008199053664914 nrkept=573 nrkeptmult=573 Kept: 573 out of 2196, ratio=0.261 Memory used: 458 MB Time elapsed: 189 s ***** [DM] Iteration 30/30 (scale 5.2357885968148706e-05) ***** [1] xi(29)=5.23577865049624e-05 xi_scaled(29)=0.9999981003208119 zeta(30)=5.835309232060155e-10 [2] xi(29)=5.235793440170501e-05 xi_scaled(29)=1.000000925047973 zeta(30)=-2.91591982579804e-10 Stats: nr=11 min=4 max=518 Emax=8.004437728205657 nrkept=2292 nrkeptmult=2292 Kept: 2292 out of 2292, ratio=1 Memory used: 458 MB Time elapsed: 189 s ** Iteration completed. Spectrum: A_d_d-A_d_d FDM [A_d_d-A_d_d] pos=0.4421777008911851 neg=0.5578222991082536 sum= 0.9999999999994388 mu1=-0.007219343657618962 mu2=0.03264386267602214 mu3=0.0006026576175400446 mu4=0.01171836660128082 f=0.4421777008911851 b=0.4421777008911851 Spectrum: A_d_u-A_d_u FDM [A_d_u-A_d_u] pos=0.6420365936407832 neg=0.3579634063582118 sum= 0.999999999998995 mu1=0.002944505004130392 mu2=0.002576447716458047 mu3=-6.146656583386331e-05 mu4=0.000716897606288969 f=0.6420365936407832 b=0.6420365936407832 Spectrum: self_d_d-A_d_d FDM [self_d_d-A_d_d] pos=-0.0004885221304508541 neg=-0.006613307551506882 sum= -0.007101829681957736 mu1=0.0006324368686422967 mu2=-0.0002329194280900826 mu3=3.858480182858651e-05 mu4=-8.179291182636541e-05 f=-0.0004885221304508541 b=-0.0004885221304508541 Spectrum: self_d_u-A_d_u FDM [self_d_u-A_d_u] pos=0.004507950187863183 neg=-0.001616835232479798 sum= 0.002891114955383384 mu1=0.0006330747996745779 mu2=4.320819110951082e-05 mu3=5.95077694090894e-05 mu4=1.195055773543599e-05 f=0.004507950187863183 b=0.004507950187863183 Memory usage report =================== after diag: 469120 kB after recalc: 885148 kB after split: 469120 kB after trim: 469120 kB after trunc: 469120 kB diag_h: 363716 kB Peak usage: 885148 kB Timing report ============= All: 189 s DM: 2 s FDM: 17 s diag: 71 s recalc d: 52 s recalc s: 2 s spec d: 34 s Other: 7 s