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=0.5 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 0.1839531284297556 (-1) 4 states 0.06187148471230944 0.1177167264510763 0.1853651193836887 0.3124538162940916 (0) 6 states 0 0.07786130269992821 0.1191287174050095 0.1903721725766456 0.2499899418501721 0.3258078944412071 (1) 4 states 0.0160289008397263 0.1309364811720145 0.2196408119845278 0.26330493714518 (2) 1 states 0.1602051205798968 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) =-4.256910690691585e-06 =1.000006570185673 ***** [NRG] Iteration 1/30 (scale 1.0201394465967895) ***** [1] xi(0)=0.5906288637704714 xi_scaled(0)=0.5789687534785798 zeta(1)=0.008402131168794482 [2] xi(0)=0.5936055281210215 xi_scaled(0)=0.581886652948579 zeta(1)=-0.004503279430684823 Stats: nr=7 min=1 max=20 Emax=2.402106578531025 nrkept=64 nrkeptmult=64 Total energy=-1.237766731750827 Egs=-0.9699742868371835 Kept: 64 out of 64, ratio=1 =-1.132586446830738e-05 =1.000017343519902 Memory used: 48 MB Time elapsed: 0 s ***** [NRG] Iteration 2/30 (scale 0.72134752044448169) ***** [1] xi(1)=0.5603706212290711 xi_scaled(1)=0.7768386323471114 zeta(2)=0.00843790784941216 [2] xi(1)=0.5599810589685636 xi_scaled(1)=0.7762985843820648 zeta(2)=-0.004135764930807299 Stats: nr=9 min=1 max=70 Emax=4.983117953816569 nrkept=256 nrkeptmult=256 Total energy=-1.810094043938746 Egs=-0.7934141256010149 Kept: 256 out of 256, ratio=1 =-3.034514411214366e-05 =1.000045940500804 Memory used: 65 MB Time elapsed: 0 s ***** [NRG] Iteration 3/30 (scale 0.51006972329839473) ***** [1] xi(2)=0.5068303722097022 xi_scaled(2)=0.9936491994315109 zeta(3)=0.01900499416035744 [2] xi(2)=0.5066206581149796 xi_scaled(2)=0.9932380515332069 zeta(3)=-0.009416500917836806 Stats: nr=11 min=1 max=252 Emax=8.047815285992774 nrkept=965 nrkeptmult=965 Total energy=-2.530540073772851 Egs=-1.412446175348932 Kept: 965 out of 1024, ratio=0.942 =-8.13059016225597e-05 =1.000114607666505 Memory used: 81 MB Time elapsed: 0 s ***** [NRG] Iteration 4/30 (scale 0.36067376022224085) ***** [1] xi(3)=0.3768706032151151 xi_scaled(3)=1.044907184217931 zeta(4)=0.01375824058127874 [2] xi(3)=0.3764424593108795 xi_scaled(3)=1.043720117257552 zeta(4)=-0.006815993551923958 Stats: nr=13 min=1 max=861 Emax=8.0002721528523 nrkept=1962 nrkeptmult=1962 Total energy=-2.915932107055532 Egs=-1.06853360512062 Kept: 1962 out of 3860, ratio=0.508 =-0.0001767132759660317 =1.000284176000416 Memory used: 122 MB Time elapsed: 1 s ***** [NRG] Iteration 5/30 (scale 0.25503486164919736) ***** [1] xi(4)=0.2588353378628234 xi_scaled(4)=1.014901791029862 zeta(5)=0.006921834305644224 [2] xi(4)=0.2585926697417124 xi_scaled(4)=1.013950281422345 zeta(5)=-0.003436955818071759 Stats: nr=13 min=6 max=1659 Emax=8.00021395940122 nrkept=2256 nrkeptmult=2256 Total energy=-3.256029067164344 Egs=-1.333531258862242 Kept: 2256 out of 7848, ratio=0.287 =-0.0003995795173864691 =1.000580535571008 Memory used: 223 MB Time elapsed: 8 s ***** [NRG] Iteration 6/30 (scale 0.18033688011112042) ***** [1] xi(5)=0.1804448161204909 xi_scaled(5)=1.000598524324608 zeta(6)=0.003496455059703066 [2] xi(5)=0.1803507754018745 xi_scaled(5)=1.000077051852874 zeta(6)=-0.001740358948560856 Stats: nr=13 min=5 max=1874 Emax=8.002357819313017 nrkept=2116 nrkeptmult=2116 Total energy=-3.449059297984778 Egs=-1.070386882048155 Kept: 2116 out of 9024, ratio=0.234 =-0.0007989972580983123 =1.001057540069013 Memory used: 211 MB Time elapsed: 17 s ***** [NRG] Iteration 7/30 (scale 0.12751743082459868) ***** [1] xi(6)=0.1273592030290158 xi_scaled(6)=0.9987591673188546 zeta(7)=0.001812094999356225 [2] xi(6)=0.127323565927368 xi_scaled(6)=0.9984796988460556 zeta(7)=-0.000903313569481843 Stats: nr=13 min=4 max=1781 Emax=8.000891599953453 nrkept=1877 nrkeptmult=1877 Total energy=-3.610593651874753 Egs=-1.266762926804618 Kept: 1877 out of 8464, ratio=0.222 =-0.001439106002908668 =1.001775981946384 Memory used: 196 MB Time elapsed: 24 s ***** [NRG] Iteration 8/30 (scale 0.090168440055560212) ***** [1] xi(7)=0.09008934611506833 xi_scaled(7)=0.9991228201303788 zeta(8)=0.0009412971877751821 [2] xi(7)=0.09007575457180768 xi_scaled(7)=0.9989720850921295 zeta(8)=-0.0004696214979019532 Stats: nr=13 min=5 max=1579 Emax=8.001365964449915 nrkept=1867 nrkeptmult=1867 Total energy=-3.711710634723513 Egs=-1.121423225093549 Kept: 1867 out of 7508, ratio=0.249 =-0.002400857153535173 =1.002690170774314 Memory used: 227 MB Time elapsed: 30 s ***** [NRG] Iteration 9/30 (scale 0.063758715412299341) ***** [1] xi(8)=0.06372782089558825 xi_scaled(8)=0.9995154463744867 zeta(9)=0.0004878476198271124 [2] xi(8)=0.06372266427158922 xi_scaled(8)=0.9994345692118012 zeta(9)=-0.0002435081439513752 Stats: nr=13 min=4 max=1570 Emax=8.000753005051031 nrkept=1683 nrkeptmult=1683 Total energy=-3.788978361451897 Egs=-1.211877093644806 Kept: 1683 out of 7468, ratio=0.225 =-0.003757045294642358 =1.003665586415149 Memory used: 227 MB Time elapsed: 35 s ***** [NRG] Iteration 10/30 (scale 0.045084220027780106) ***** [1] xi(9)=0.04507291688462536 xi_scaled(9)=0.9997492882621063 zeta(10)=0.0002522891971808449 [2] xi(9)=0.04507097194660089 xi_scaled(9)=0.9997061481562495 zeta(10)=-0.0001259641644970881 Stats: nr=13 min=2 max=1427 Emax=8.000738580170829 nrkept=1594 nrkeptmult=1594 Total energy=-3.841815628885027 Egs=-1.171968094392515 Kept: 1594 out of 6732, ratio=0.237 =-0.005582196845981041 =1.004307048160537 Memory used: 227 MB Time elapsed: 39 s ***** [NRG] Iteration 11/30 (scale 0.031879357706149671) ***** [1] xi(10)=0.03187532634296533 xi_scaled(10)=0.9998735431490967 zeta(11)=0.0001302548283519383 [2] xi(10)=0.03187459620249342 xi_scaled(10)=0.9998506399125059 zeta(11)=-6.504455957542836e-05 Stats: nr=13 min=2 max=1374 Emax=8.007426795752282 nrkept=1466 nrkeptmult=1466 Total energy=-3.878718141986807 Egs=-1.157567647439176 Kept: 1466 out of 6376, ratio=0.23 =-0.00792418249007382 =1.004470534315418 Memory used: 227 MB Time elapsed: 43 s ***** [NRG] Iteration 12/30 (scale 0.022542110013890053) ***** [1] xi(11)=0.02254068862044691 xi_scaled(11)=0.9999369449691149 zeta(12)=6.71659566564116e-05 [2] xi(11)=0.02254041545712747 xi_scaled(11)=0.9999248270564937 zeta(12)=-3.354352801052194e-05 Stats: nr=13 min=1 max=1261 Emax=8.005421900040387 nrkept=1366 nrkeptmult=1366 Total energy=-3.906249836181894 Egs=-1.221345037271237 Kept: 1366 out of 5864, ratio=0.233 =-0.010933713897747 =1.003610343313887 Memory used: 227 MB Time elapsed: 46 s ***** [NRG] Iteration 13/30 (scale 0.015939678853074835) ***** [1] xi(12)=0.01593918073730922 xi_scaled(12)=0.9999687499497193 zeta(13)=3.459605211558996e-05 [2] xi(12)=0.0159390788569602 xi_scaled(12)=0.9999623583310451 zeta(13)=-1.72788369031243e-05 Stats: nr=13 min=2 max=1185 Emax=8.003729318204407 nrkept=1290 nrkeptmult=1290 Total energy=-3.923862719715797 Egs=-1.104971040900577 Kept: 1290 out of 5464, ratio=0.236 =-0.0146262842298109 =1.001548962763708 Memory used: 227 MB Time elapsed: 49 s ***** [NRG] Iteration 14/30 (scale 0.011271055006945026) ***** [1] xi(13)=0.0112708807391142 xi_scaled(13)=0.9999845384632828 zeta(14)=1.780319686693168e-05 [2] xi(13)=0.01127084286022319 xi_scaled(13)=0.9999811777405301 zeta(14)=-8.89214881862266e-06 Stats: nr=13 min=1 max=1123 Emax=8.00053895042768 nrkept=1159 nrkeptmult=1159 Total energy=-3.938174745500359 Egs=-1.269803561045787 Kept: 1159 out of 5160, ratio=0.225 =-0.0192537770427794 =0.9979976419297441 Memory used: 227 MB Time elapsed: 52 s ***** [NRG] Iteration 15/30 (scale 0.0079698394265374176) ***** [1] xi(14)=0.007969778756501575 xi_scaled(14)=0.9999923875460225 zeta(15)=9.154563720143152e-06 [2] xi(14)=0.00796976469875026 xi_scaled(14)=0.9999906236771962 zeta(15)=-4.572595932322178e-06 Stats: nr=13 min=1 max=1021 Emax=8.007816205191221 nrkept=1113 nrkeptmult=1113 Total energy=-3.946594883174289 Egs=-1.056500291071531 Kept: 1113 out of 4636, ratio=0.24 =-0.02495416392678971 =0.9928621931823205 Memory used: 227 MB Time elapsed: 54 s ***** [NRG] Iteration 16/30 (scale 0.0056355275034725132) ***** [1] xi(15)=0.005635506221643946 xi_scaled(15)=0.9999962236314961 zeta(16)=4.703627130889123e-06 [2] xi(15)=0.005635501010682034 xi_scaled(15)=0.9999952989688254 zeta(16)=-2.349480991095122e-06 Stats: nr=13 min=1 max=984 Emax=8.004950439533371 nrkept=1002 nrkeptmult=1002 Total energy=-3.954005945985403 Egs=-1.315061066874038 Kept: 1002 out of 4452, ratio=0.225 =-0.03192912960328807 =0.9861040024837059 Memory used: 227 MB Time elapsed: 55 s ***** [NRG] Iteration 17/30 (scale 0.0039849197132687088) ***** [1] xi(16)=0.003984912437409699 xi_scaled(16)=0.9999981741516685 zeta(17)=2.414882978436672e-06 [2] xi(16)=0.00398491050932224 xi_scaled(16)=0.9999976903056697 zeta(17)=-1.206277975858316e-06 Stats: nr=13 min=1 max=893 Emax=8.003090938964462 nrkept=995 nrkeptmult=995 Total energy=-3.958053825792408 Egs=-1.015799589017133 Kept: 995 out of 4008, ratio=0.248 =-0.04018626917237725 =0.9778057214049466 Memory used: 227 MB Time elapsed: 56 s ***** [NRG] Iteration 18/30 (scale 0.0028177637517362566) ***** [1] xi(17)=0.002817761056980296 xi_scaled(17)=0.9999990436544018 zeta(18)=1.238996471336385e-06 [2] xi(17)=0.002817760344788184 xi_scaled(17)=0.9999987909035774 zeta(18)=-6.18917217722035e-07 Stats: nr=13 min=1 max=881 Emax=8.000903013443642 nrkept=873 nrkeptmult=873 Total energy=-3.961866623439417 Egs=-1.353128928803637 Kept: 873 out of 3980, ratio=0.219 =-0.04970510561126376 =0.9680555108045761 Memory used: 227 MB Time elapsed: 58 s ***** [NRG] Iteration 19/30 (scale 0.0019924598566343544) ***** [1] xi(18)=0.001992459052045069 xi_scaled(18)=0.9999995961829378 zeta(19)=6.352557841742081e-07 [2] xi(18)=0.001992458789413763 xi_scaled(18)=0.999999464370342 zeta(19)=-3.173375789420887e-07 Stats: nr=12 min=1 max=783 Emax=8.003674641310967 nrkept=893 nrkeptmult=893 Total energy=-3.963830459506216 Egs=-0.9856339440217127 Kept: 893 out of 3492, ratio=0.256 =-0.0597840261806191 =0.9576116091081479 Memory used: 227 MB Time elapsed: 59 s ***** [NRG] Iteration 20/30 (scale 0.0014088818758681283) ***** [1] xi(19)=0.001408881448498392 xi_scaled(19)=0.999999696660349 zeta(20)=3.255021255061071e-07 [2] xi(19)=0.001408881351830227 xi_scaled(19)=0.999999628046957 zeta(20)=-1.626059582156574e-07 Stats: nr=13 min=1 max=798 Emax=8.001196650348792 nrkept=761 nrkeptmult=761 Total energy=-3.965776297819174 Egs=-1.381122396623096 Kept: 761 out of 3572, ratio=0.213 =-0.06993748301363351 =0.9470310914972413 Memory used: 227 MB Time elapsed: 60 s ***** [NRG] Iteration 21/30 (scale 0.0009962299283171772) ***** [1] xi(20)=0.000996229912500716 xi_scaled(20)=0.999999984123684 zeta(21)=1.666986257199405e-07 [2] xi(20)=0.0009962298769563968 xi_scaled(20)=0.999999948444853 zeta(21)=-8.327677420934994e-08 Stats: nr=11 min=7 max=687 Emax=8.006231805341145 nrkept=771 nrkeptmult=771 Total energy=-3.966738626763599 Egs=-0.9659707232958747 Kept: 771 out of 3044, ratio=0.253 =-0.07896449377539559 =0.9375789768023719 Memory used: 227 MB Time elapsed: 60 s ***** [NRG] Iteration 22/30 (scale 0.00070444093793406415) ***** [1] xi(21)=0.0007044407747059973 xi_scaled(21)=0.9999997682870798 zeta(22)=8.532216977422458e-08 [2] xi(21)=0.0007044407616446059 xi_scaled(21)=0.99999974974558 zeta(22)=-4.262481923547904e-08 Stats: nr=12 min=1 max=690 Emax=8.001795979772014 nrkept=672 nrkeptmult=672 Total energy=-3.967724267267477 Egs=-1.39918118155947 Kept: 672 out of 3084, ratio=0.218 =-0.08630554260342391 =0.9298681544738464 Memory used: 227 MB Time elapsed: 61 s ***** [NRG] Iteration 23/30 (scale 0.0004981149641585886) ***** [1] xi(22)=0.0004981150392048794 xi_scaled(22)=1.000000150660583 zeta(23)=4.364627726676702e-08 [2] xi(22)=0.0004981150344108432 xi_scaled(22)=1.000000141036226 zeta(23)=-2.180500671737385e-08 Stats: nr=11 min=5 max=608 Emax=8.003882280701172 nrkept=680 nrkeptmult=680 Total energy=-3.968199689708842 Egs=-0.9544432020193233 Kept: 680 out of 2688, ratio=0.253 =-0.09157138769601268 =0.9243361855717691 Memory used: 227 MB Time elapsed: 61 s ***** [NRG] Iteration 24/30 (scale 0.00035222046896703208) ***** [1] xi(23)=0.0003522203411331118 xi_scaled(23)=0.999999637062773 zeta(24)=2.231601273858016e-08 [2] xi(23)=0.0003522203393754952 xi_scaled(23)=0.9999996320726697 zeta(24)=-1.114894069597874e-08 Stats: nr=12 min=1 max=617 Emax=8.002975930746103 nrkept=609 nrkeptmult=609 Total energy=-3.968696211483853 Egs=-1.409690289912613 Kept: 609 out of 2720, ratio=0.224 =-0.09496711714047548 =0.9207556066404528 Memory used: 227 MB Time elapsed: 62 s ***** [NRG] Iteration 25/30 (scale 0.0002490574820792943) ***** [1] xi(24)=0.0002490575695087961 xi_scaled(24)=1.000000351041459 zeta(25)=1.140429345922973e-08 [2] xi(24)=0.0002490575688651372 xi_scaled(24)=1.00000034845708 zeta(25)=-5.697613931479862e-09 Stats: nr=11 min=5 max=547 Emax=8.000573063047932 nrkept=607 nrkeptmult=607 Total energy=-3.968932357149705 Egs=-0.948157284334515 Kept: 607 out of 2436, ratio=0.249 =-0.09700233715085695 =0.9186120120804168 Memory used: 227 MB Time elapsed: 62 s ***** [NRG] Iteration 26/30 (scale 0.00017611023448351604) ***** [1] xi(25)=0.0001761101096519996 xi_scaled(25)=0.9999992911739807 zeta(26)=5.825138428313101e-09 [2] xi(25)=0.0001761101094165964 xi_scaled(25)=0.9999992898372998 zeta(26)=-2.91030284566451e-09 Stats: nr=11 min=4 max=552 Emax=8.001116472466215 nrkept=565 nrkeptmult=565 Total energy=-3.969181623940266 Egs=-1.415402070712512 Kept: 565 out of 2428, ratio=0.233 =-0.09807938443091634 =0.9174759649470593 Memory used: 227 MB Time elapsed: 62 s ***** [NRG] Iteration 27/30 (scale 0.00012452874103964715) ***** [1] xi(26)=0.0001245288292390404 xi_scaled(26)=1.000000708265357 zeta(27)=2.974268575501657e-09 [2] xi(26)=0.0001245288291530076 xi_scaled(26)=1.00000070757449 zeta(27)=-1.486001099568177e-09 Stats: nr=11 min=5 max=507 Emax=8.001823531192807 nrkept=579 nrkeptmult=579 Total energy=-3.969299287682564 Egs=-0.9448721742123878 Kept: 579 out of 2260, ratio=0.256 =-0.09866156545024253 =0.9168622085240044 Memory used: 227 MB Time elapsed: 63 s ***** [NRG] Iteration 28/30 (scale 8.8055117241758019e-05) ***** [1] xi(27)=8.805499265586607e-05 xi_scaled(27)=0.9999985851374019 zeta(28)=1.517940549986136e-09 [2] xi(27)=8.805499262443344e-05 xi_scaled(27)=0.9999985847804366 zeta(28)=-7.584036904645465e-10 Stats: nr=11 min=4 max=525 Emax=8.003239734427719 nrkept=548 nrkeptmult=548 Total energy=-3.969424183674231 Egs=-1.418384252720435 Kept: 548 out of 2316, ratio=0.237 =-0.0989524626404452 =0.9165553038362166 Memory used: 227 MB Time elapsed: 63 s ***** [NRG] Iteration 29/30 (scale 6.2264370519823575e-05) ***** [1] xi(28)=6.22644587485824e-05 xi_scaled(28)=1.000001417002342 zeta(29)=7.743770084887333e-10 [2] xi(28)=6.226445873710819e-05 xi_scaled(28)=1.00000141681806 zeta(29)=-3.869052068143068e-10 Stats: nr=11 min=5 max=490 Emax=8.004593449042089 nrkept=571 nrkeptmult=571 Total energy=-3.969482911082773 Egs=-0.9431944473357489 Kept: 571 out of 2192, ratio=0.26 =-0.09910473902768593 =0.9163947081218538 Memory used: 227 MB Time elapsed: 63 s ***** [NRG] Iteration 30/30 (scale 4.402755862087901e-05) ***** [1] xi(29)=4.402743418778707e-05 xi_scaled(29)=0.9999971737453578 zeta(30)=3.948788978695318e-10 [2] xi(29)=4.40274341836022e-05 xi_scaled(29)=0.9999971736503066 zeta(30)=-1.972978043440454e-10 Stats: nr=11 min=4 max=516 Emax=8.006718383211339 nrkept=2284 nrkeptmult=2284 Total energy=-3.969545426078692 Egs=-1.419906028809696 Kept: 2284 out of 2284, ratio=1 =-0.09917632480676643 =0.9163192678558491 Memory used: 227 MB Time elapsed: 64 s ** Iteration completed. Total energy: -3.969545426078692 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 0.1839531284297556 (-1) 4 states 0.06187148471230944 0.1177167264510763 0.1853651193836887 0.3124538162940916 (0) 6 states 0 0.07786130269992821 0.1191287174050095 0.1903721725766456 0.2499899418501721 0.3258078944412071 (1) 4 states 0.0160289008397263 0.1309364811720145 0.2196408119845278 0.26330493714518 (2) 1 states 0.1602051205798968 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 1.0201394465967895) ***** [1] xi(0)=0.5906288637704714 xi_scaled(0)=0.5789687534785798 zeta(1)=0.008402131168794482 [2] xi(0)=0.5936055281210215 xi_scaled(0)=0.581886652948579 zeta(1)=-0.004503279430684823 Stats: nr=7 min=1 max=20 Emax=2.402106578531025 nrkept=64 nrkeptmult=64 Kept: 64 out of 64, ratio=1 Memory used: 320 MB Time elapsed: 78 s ***** [DM] Iteration 2/30 (scale 0.72134752044448169) ***** [1] xi(1)=0.5603706212290711 xi_scaled(1)=0.7768386323471114 zeta(2)=0.00843790784941216 [2] xi(1)=0.5599810589685636 xi_scaled(1)=0.7762985843820648 zeta(2)=-0.004135764930807299 Stats: nr=9 min=1 max=70 Emax=4.983117953816569 nrkept=256 nrkeptmult=256 Kept: 256 out of 256, ratio=1 Memory used: 320 MB Time elapsed: 78 s ***** [DM] Iteration 3/30 (scale 0.51006972329839473) ***** [1] xi(2)=0.5068303722097022 xi_scaled(2)=0.9936491994315109 zeta(3)=0.01900499416035744 [2] xi(2)=0.5066206581149796 xi_scaled(2)=0.9932380515332069 zeta(3)=-0.009416500917836806 Stats: nr=11 min=1 max=252 Emax=8.047815285992774 nrkept=965 nrkeptmult=965 Kept: 965 out of 1024, ratio=0.942 Memory used: 320 MB Time elapsed: 78 s ***** [DM] Iteration 4/30 (scale 0.36067376022224085) ***** [1] xi(3)=0.3768706032151151 xi_scaled(3)=1.044907184217931 zeta(4)=0.01375824058127874 [2] xi(3)=0.3764424593108795 xi_scaled(3)=1.043720117257552 zeta(4)=-0.006815993551923958 Stats: nr=13 min=1 max=861 Emax=8.0002721528523 nrkept=1962 nrkeptmult=1962 Kept: 1962 out of 3860, ratio=0.508 Memory used: 320 MB Time elapsed: 79 s ***** [DM] Iteration 5/30 (scale 0.25503486164919736) ***** [1] xi(4)=0.2588353378628234 xi_scaled(4)=1.014901791029862 zeta(5)=0.006921834305644224 [2] xi(4)=0.2585926697417124 xi_scaled(4)=1.013950281422345 zeta(5)=-0.003436955818071759 Stats: nr=13 min=6 max=1659 Emax=8.00021395940122 nrkept=2256 nrkeptmult=2256 Kept: 2256 out of 7848, ratio=0.287 Memory used: 479 MB Time elapsed: 86 s ***** [DM] Iteration 6/30 (scale 0.18033688011112042) ***** [1] xi(5)=0.1804448161204909 xi_scaled(5)=1.000598524324608 zeta(6)=0.003496455059703066 [2] xi(5)=0.1803507754018745 xi_scaled(5)=1.000077051852874 zeta(6)=-0.001740358948560856 Stats: nr=13 min=5 max=1874 Emax=8.002357819313017 nrkept=2116 nrkeptmult=2116 Kept: 2116 out of 9024, ratio=0.234 Memory used: 600 MB Time elapsed: 95 s ***** [DM] Iteration 7/30 (scale 0.12751743082459868) ***** [1] xi(6)=0.1273592030290158 xi_scaled(6)=0.9987591673188546 zeta(7)=0.001812094999356225 [2] xi(6)=0.127323565927368 xi_scaled(6)=0.9984796988460556 zeta(7)=-0.000903313569481843 Stats: nr=13 min=4 max=1781 Emax=8.000891599953453 nrkept=1877 nrkeptmult=1877 Kept: 1877 out of 8464, ratio=0.222 Memory used: 466 MB Time elapsed: 103 s ***** [DM] Iteration 8/30 (scale 0.090168440055560212) ***** [1] xi(7)=0.09008934611506833 xi_scaled(7)=0.9991228201303788 zeta(8)=0.0009412971877751821 [2] xi(7)=0.09007575457180768 xi_scaled(7)=0.9989720850921295 zeta(8)=-0.0004696214979019532 Stats: nr=13 min=5 max=1579 Emax=8.001365964449915 nrkept=1867 nrkeptmult=1867 Kept: 1867 out of 7508, ratio=0.249 Memory used: 409 MB Time elapsed: 109 s ***** [DM] Iteration 9/30 (scale 0.063758715412299341) ***** [1] xi(8)=0.06372782089558825 xi_scaled(8)=0.9995154463744867 zeta(9)=0.0004878476198271124 [2] xi(8)=0.06372266427158922 xi_scaled(8)=0.9994345692118012 zeta(9)=-0.0002435081439513752 Stats: nr=13 min=4 max=1570 Emax=8.000753005051031 nrkept=1683 nrkeptmult=1683 Kept: 1683 out of 7468, ratio=0.225 Memory used: 409 MB Time elapsed: 115 s ***** [DM] Iteration 10/30 (scale 0.045084220027780106) ***** [1] xi(9)=0.04507291688462536 xi_scaled(9)=0.9997492882621063 zeta(10)=0.0002522891971808449 [2] xi(9)=0.04507097194660089 xi_scaled(9)=0.9997061481562495 zeta(10)=-0.0001259641644970881 Stats: nr=13 min=2 max=1427 Emax=8.000738580170829 nrkept=1594 nrkeptmult=1594 Kept: 1594 out of 6732, ratio=0.237 Memory used: 423 MB Time elapsed: 120 s ***** [DM] Iteration 11/30 (scale 0.031879357706149671) ***** [1] xi(10)=0.03187532634296533 xi_scaled(10)=0.9998735431490967 zeta(11)=0.0001302548283519383 [2] xi(10)=0.03187459620249342 xi_scaled(10)=0.9998506399125059 zeta(11)=-6.504455957542836e-05 Stats: nr=13 min=2 max=1374 Emax=8.007426795752282 nrkept=1466 nrkeptmult=1466 Kept: 1466 out of 6376, ratio=0.23 Memory used: 423 MB Time elapsed: 124 s ***** [DM] Iteration 12/30 (scale 0.022542110013890053) ***** [1] xi(11)=0.02254068862044691 xi_scaled(11)=0.9999369449691149 zeta(12)=6.71659566564116e-05 [2] xi(11)=0.02254041545712747 xi_scaled(11)=0.9999248270564937 zeta(12)=-3.354352801052194e-05 Stats: nr=13 min=1 max=1261 Emax=8.005421900040387 nrkept=1366 nrkeptmult=1366 Kept: 1366 out of 5864, ratio=0.233 Memory used: 423 MB Time elapsed: 127 s ***** [DM] Iteration 13/30 (scale 0.015939678853074835) ***** [1] xi(12)=0.01593918073730922 xi_scaled(12)=0.9999687499497193 zeta(13)=3.459605211558996e-05 [2] xi(12)=0.0159390788569602 xi_scaled(12)=0.9999623583310451 zeta(13)=-1.72788369031243e-05 Stats: nr=13 min=2 max=1185 Emax=8.003729318204407 nrkept=1290 nrkeptmult=1290 Kept: 1290 out of 5464, ratio=0.236 Memory used: 423 MB Time elapsed: 130 s ***** [DM] Iteration 14/30 (scale 0.011271055006945026) ***** [1] xi(13)=0.0112708807391142 xi_scaled(13)=0.9999845384632828 zeta(14)=1.780319686693168e-05 [2] xi(13)=0.01127084286022319 xi_scaled(13)=0.9999811777405301 zeta(14)=-8.89214881862266e-06 Stats: nr=13 min=1 max=1123 Emax=8.00053895042768 nrkept=1159 nrkeptmult=1159 Kept: 1159 out of 5160, ratio=0.225 Memory used: 423 MB Time elapsed: 132 s ***** [DM] Iteration 15/30 (scale 0.0079698394265374176) ***** [1] xi(14)=0.007969778756501575 xi_scaled(14)=0.9999923875460225 zeta(15)=9.154563720143152e-06 [2] xi(14)=0.00796976469875026 xi_scaled(14)=0.9999906236771962 zeta(15)=-4.572595932322178e-06 Stats: nr=13 min=1 max=1021 Emax=8.007816205191221 nrkept=1113 nrkeptmult=1113 Kept: 1113 out of 4636, ratio=0.24 Memory used: 423 MB Time elapsed: 134 s ***** [DM] Iteration 16/30 (scale 0.0056355275034725132) ***** [1] xi(15)=0.005635506221643946 xi_scaled(15)=0.9999962236314961 zeta(16)=4.703627130889123e-06 [2] xi(15)=0.005635501010682034 xi_scaled(15)=0.9999952989688254 zeta(16)=-2.349480991095122e-06 Stats: nr=13 min=1 max=984 Emax=8.004950439533371 nrkept=1002 nrkeptmult=1002 Kept: 1002 out of 4452, ratio=0.225 Memory used: 423 MB Time elapsed: 135 s ***** [DM] Iteration 17/30 (scale 0.0039849197132687088) ***** [1] xi(16)=0.003984912437409699 xi_scaled(16)=0.9999981741516685 zeta(17)=2.414882978436672e-06 [2] xi(16)=0.00398491050932224 xi_scaled(16)=0.9999976903056697 zeta(17)=-1.206277975858316e-06 Stats: nr=13 min=1 max=893 Emax=8.003090938964462 nrkept=995 nrkeptmult=995 Kept: 995 out of 4008, ratio=0.248 Memory used: 423 MB Time elapsed: 137 s ***** [DM] Iteration 18/30 (scale 0.0028177637517362566) ***** [1] xi(17)=0.002817761056980296 xi_scaled(17)=0.9999990436544018 zeta(18)=1.238996471336385e-06 [2] xi(17)=0.002817760344788184 xi_scaled(17)=0.9999987909035774 zeta(18)=-6.18917217722035e-07 Stats: nr=13 min=1 max=881 Emax=8.000903013443642 nrkept=873 nrkeptmult=873 Kept: 873 out of 3980, ratio=0.219 Memory used: 423 MB Time elapsed: 138 s ***** [DM] Iteration 19/30 (scale 0.0019924598566343544) ***** [1] xi(18)=0.001992459052045069 xi_scaled(18)=0.9999995961829378 zeta(19)=6.352557841742081e-07 [2] xi(18)=0.001992458789413763 xi_scaled(18)=0.999999464370342 zeta(19)=-3.173375789420887e-07 Stats: nr=12 min=1 max=783 Emax=8.003674641310967 nrkept=893 nrkeptmult=893 Kept: 893 out of 3492, ratio=0.256 Memory used: 423 MB Time elapsed: 139 s ***** [DM] Iteration 20/30 (scale 0.0014088818758681283) ***** [1] xi(19)=0.001408881448498392 xi_scaled(19)=0.999999696660349 zeta(20)=3.255021255061071e-07 [2] xi(19)=0.001408881351830227 xi_scaled(19)=0.999999628046957 zeta(20)=-1.626059582156574e-07 Stats: nr=13 min=1 max=798 Emax=8.001196650348792 nrkept=761 nrkeptmult=761 Kept: 761 out of 3572, ratio=0.213 Memory used: 423 MB Time elapsed: 140 s ***** [DM] Iteration 21/30 (scale 0.0009962299283171772) ***** [1] xi(20)=0.000996229912500716 xi_scaled(20)=0.999999984123684 zeta(21)=1.666986257199405e-07 [2] xi(20)=0.0009962298769563968 xi_scaled(20)=0.999999948444853 zeta(21)=-8.327677420934994e-08 Stats: nr=11 min=7 max=687 Emax=8.006231805341145 nrkept=771 nrkeptmult=771 Kept: 771 out of 3044, ratio=0.253 Memory used: 423 MB Time elapsed: 140 s ***** [DM] Iteration 22/30 (scale 0.00070444093793406415) ***** [1] xi(21)=0.0007044407747059973 xi_scaled(21)=0.9999997682870798 zeta(22)=8.532216977422458e-08 [2] xi(21)=0.0007044407616446059 xi_scaled(21)=0.99999974974558 zeta(22)=-4.262481923547904e-08 Stats: nr=12 min=1 max=690 Emax=8.001795979772014 nrkept=672 nrkeptmult=672 Kept: 672 out of 3084, ratio=0.218 Memory used: 423 MB Time elapsed: 141 s ***** [DM] Iteration 23/30 (scale 0.0004981149641585886) ***** [1] xi(22)=0.0004981150392048794 xi_scaled(22)=1.000000150660583 zeta(23)=4.364627726676702e-08 [2] xi(22)=0.0004981150344108432 xi_scaled(22)=1.000000141036226 zeta(23)=-2.180500671737385e-08 Stats: nr=11 min=5 max=608 Emax=8.003882280701172 nrkept=680 nrkeptmult=680 Kept: 680 out of 2688, ratio=0.253 Memory used: 423 MB Time elapsed: 142 s ***** [DM] Iteration 24/30 (scale 0.00035222046896703208) ***** [1] xi(23)=0.0003522203411331118 xi_scaled(23)=0.999999637062773 zeta(24)=2.231601273858016e-08 [2] xi(23)=0.0003522203393754952 xi_scaled(23)=0.9999996320726697 zeta(24)=-1.114894069597874e-08 Stats: nr=12 min=1 max=617 Emax=8.002975930746103 nrkept=609 nrkeptmult=609 Kept: 609 out of 2720, ratio=0.224 Memory used: 423 MB Time elapsed: 142 s ***** [DM] Iteration 25/30 (scale 0.0002490574820792943) ***** [1] xi(24)=0.0002490575695087961 xi_scaled(24)=1.000000351041459 zeta(25)=1.140429345922973e-08 [2] xi(24)=0.0002490575688651372 xi_scaled(24)=1.00000034845708 zeta(25)=-5.697613931479862e-09 Stats: nr=11 min=5 max=547 Emax=8.000573063047932 nrkept=607 nrkeptmult=607 Kept: 607 out of 2436, ratio=0.249 Memory used: 423 MB Time elapsed: 143 s ***** [DM] Iteration 26/30 (scale 0.00017611023448351604) ***** [1] xi(25)=0.0001761101096519996 xi_scaled(25)=0.9999992911739807 zeta(26)=5.825138428313101e-09 [2] xi(25)=0.0001761101094165964 xi_scaled(25)=0.9999992898372998 zeta(26)=-2.91030284566451e-09 Stats: nr=11 min=4 max=552 Emax=8.001116472466215 nrkept=565 nrkeptmult=565 Kept: 565 out of 2428, ratio=0.233 Memory used: 423 MB Time elapsed: 143 s ***** [DM] Iteration 27/30 (scale 0.00012452874103964715) ***** [1] xi(26)=0.0001245288292390404 xi_scaled(26)=1.000000708265357 zeta(27)=2.974268575501657e-09 [2] xi(26)=0.0001245288291530076 xi_scaled(26)=1.00000070757449 zeta(27)=-1.486001099568177e-09 Stats: nr=11 min=5 max=507 Emax=8.001823531192807 nrkept=579 nrkeptmult=579 Kept: 579 out of 2260, ratio=0.256 Memory used: 423 MB Time elapsed: 144 s ***** [DM] Iteration 28/30 (scale 8.8055117241758019e-05) ***** [1] xi(27)=8.805499265586607e-05 xi_scaled(27)=0.9999985851374019 zeta(28)=1.517940549986136e-09 [2] xi(27)=8.805499262443344e-05 xi_scaled(27)=0.9999985847804366 zeta(28)=-7.584036904645465e-10 Stats: nr=11 min=4 max=525 Emax=8.003239734427719 nrkept=548 nrkeptmult=548 Kept: 548 out of 2316, ratio=0.237 Memory used: 423 MB Time elapsed: 144 s ***** [DM] Iteration 29/30 (scale 6.2264370519823575e-05) ***** [1] xi(28)=6.22644587485824e-05 xi_scaled(28)=1.000001417002342 zeta(29)=7.743770084887333e-10 [2] xi(28)=6.226445873710819e-05 xi_scaled(28)=1.00000141681806 zeta(29)=-3.869052068143068e-10 Stats: nr=11 min=5 max=490 Emax=8.004593449042089 nrkept=571 nrkeptmult=571 Kept: 571 out of 2192, ratio=0.26 Memory used: 423 MB Time elapsed: 144 s ***** [DM] Iteration 30/30 (scale 4.402755862087901e-05) ***** [1] xi(29)=4.402743418778707e-05 xi_scaled(29)=0.9999971737453578 zeta(30)=3.948788978695318e-10 [2] xi(29)=4.40274341836022e-05 xi_scaled(29)=0.9999971736503066 zeta(30)=-1.972978043440454e-10 Stats: nr=11 min=4 max=516 Emax=8.006718383211339 nrkept=2284 nrkeptmult=2284 Kept: 2284 out of 2284, ratio=1 Memory used: 423 MB Time elapsed: 145 s ** Iteration completed. Spectrum: A_d_d-A_d_d FDM [A_d_d-A_d_d] pos=0.4429449369868011 neg=0.5570550630126767 sum= 0.9999999999994778 mu1=-0.007082511303373611 mu2=0.03309114514033794 mu3=0.0006943550239918543 mu4=0.0133614696115938 f=0.4429449369868011 b=0.4429449369868011 Spectrum: A_d_u-A_d_u FDM [A_d_u-A_d_u] pos=0.6401544953770535 neg=0.3598455046221049 sum= 0.9999999999991583 mu1=0.002885246091261956 mu2=0.002583029957981347 mu3=-9.302727591083907e-05 mu4=0.0007949141259514037 f=0.6401544953770535 b=0.6401544953770535 Spectrum: self_d_d-A_d_d FDM [self_d_d-A_d_d] pos=-0.0004411935891687032 neg=-0.006566531179697927 sum= -0.00700772476886663 mu1=0.0006320644051987292 mu2=-0.0002327905136067086 mu3=3.893506877787387e-05 mu4=-9.197363630986764e-05 f=-0.0004411935891687032 b=-0.0004411935891687032 Spectrum: self_d_u-A_d_u FDM [self_d_u-A_d_u] pos=0.004489045370298247 neg=-0.001636292219713465 sum= 0.002852753150584782 mu1=0.000633169756209159 mu2=4.230345853479101e-05 mu3=5.950150204270422e-05 mu4=1.216442725839813e-05 f=0.004489045370298247 b=0.004489045370298247 Memory usage report =================== after diag: 615072 kB after recalc: 687620 kB after split: 615072 kB after trim: 615072 kB after trunc: 615072 kB diag_h: 285168 kB Peak usage: 687620 kB Timing report ============= All: 145 s DM: 2 s FDM: 12 s diag: 54 s recalc d: 39 s recalc s: 2 s spec d: 28 s Other: 5 s