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=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=1e-06 broaden_min_ratio=3 broaden_ratio=1.01 dumpenergies=0 dumpannotated=0 dumpscaled=1 dumpabs=0 dumpprecision=8 dumpgroups=1 grouptol=1e-06 dumpdiagonal=0 ops=A_d self_d n_d SZd specs= specd=A_d-A_d-u self_d-A_d-u A_d-A_d-d self_d-A_d-d spect= specq= specot= reim=0 specgt= gtp=0.7 speci1t= speci2t= specchit= chitp=1 chitp_ratio=-999 dm=1 T0opt=-1 dmnrg=0 cfs=0 cfsgt=0 cfsls=0 fdm=1 fdmgt=0 fdmls=0 fdmexpv=0 fdmexpvn=0 cfsold=0 fdmold=0 width_td=12 width_custom=12 prec_td=6 prec_custom=6 prec_xy=6 safeguard=1e-05 safeguardmax=200 fixeps=1e-15 diag=dsyev diagratio=1 dsyevrlimit=100 zheevrlimit=100 restart=1 restartfactor=2 checkdiag=0 checkrho=0 calc0=1 tdht=0 spin=2 tri=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: QSZ invdim=2 0 Q additive 1 SSZ additive I=(0 0) [0 (additive), 0 (additive)] singlet QNs=(0 0) mult=1 >> Using sneg version 1.250 V8 >> Number of channels, impurities, chain sites, subspaces: channels=1 impurities=1 Nmax=30 subspaces=9 Reading <||||> (e) Reading <||n_d||> (s) Reading <||A_d||> (d) Reading <||self_d||> (d) Reading <||SZd||> (s) Reading <||||> (z) length_coef_table=30 Nmax=30 Number of invariant subspaces: 9 (-2 1) 1 states 0.1840276024861947 (-1 0) 2 states 0.06192374442451901 0.3125786967653201 (-1 2) 2 states 0.1177428866183107 0.1854315416448112 (0 -1) 1 states 0.1904748387036445 (0 1) 4 states 0 0.07791095570244003 0.2500625563947911 0.3259271758919096 (0 3) 1 states 0.1191468257769272 (1 0) 2 states 0.1309846040048933 0.2197416557211254 (1 2) 2 states 0.01602628458942449 0.263371962209877 (2 1) 1 states 0.1602514210223743 Number of states (multiplicity taken into account): 16 Computing the following operators: s=[] p=[] g=[] d=[A_d self_d ] v=[] t=[] q=[] ot=[] Computing the following spectra: Before NRG iteration (N=-1) =-4.264334094013874e-06 =1.000006581641793 ***** [NRG] Iteration 1/30 (scale 1.0201394465967895) ***** [1] xi(0)=0.590982313820971 xi_scaled(0)=0.5793152257688914 zeta(1)=0.00842293006017867 [2] xi(0)=0.5939644255358095 xi_scaled(0)=0.5822384650620948 zeta(1)=-0.004514382820896246 Stats: nr=16 min=1 max=9 Emax=2.403509431471023 nrkept=64 nrkeptmult=64 Total energy=-1.238482324883212 Egs=-0.9705903523654357 Kept: 64 out of 64, ratio=1 =-1.134482772464663e-05 =1.000017372548361 Memory used: 46 MB Time elapsed: 0 s ***** [NRG] Iteration 2/30 (scale 0.72134752044448169) ***** [1] xi(1)=0.5606036341841488 xi_scaled(1)=0.7771616568928035 zeta(2)=0.008485986680207709 [2] xi(1)=0.5602139495509845 xi_scaled(1)=0.7766214392832327 zeta(2)=-0.004159654475733007 Stats: nr=25 min=1 max=36 Emax=4.985535007111536 nrkept=256 nrkeptmult=256 Total energy=-1.810965850945208 Egs=-0.7936306840137762 Kept: 256 out of 256, ratio=1 =-3.039420274057043e-05 =1.000046014718341 Memory used: 54 MB Time elapsed: 0 s ***** [NRG] Iteration 3/30 (scale 0.51006972329839473) ***** [1] xi(2)=0.5067810041451396 xi_scaled(2)=0.9935524125368813 zeta(3)=0.01901694081494296 [2] xi(2)=0.5065701794541487 xi_scaled(2)=0.9931390872965052 zeta(3)=-0.009422212337851166 Stats: nr=36 min=1 max=100 Emax=8.050149077250687 nrkept=965 nrkeptmult=965 Total energy=-2.531308628114133 Egs=-1.412243746817176 Kept: 965 out of 1024, ratio=0.942 =-8.14162594129068e-05 =1.000114783565754 Memory used: 70 MB Time elapsed: 0 s ***** [NRG] Iteration 4/30 (scale 0.36067376022224085) ***** [1] xi(3)=0.3767517442707383 xi_scaled(3)=1.044577637249215 zeta(4)=0.01375039565419673 [2] xi(3)=0.3763230626283569 xi_scaled(3)=1.043389079362117 zeta(4)=-0.00681192289012422 Stats: nr=49 min=1 max=369 Emax=8.001064870552741 nrkept=1961 nrkeptmult=1961 Total energy=-2.916552377902237 Egs=-1.068122475975863 Kept: 1961 out of 3860, ratio=0.508 =-0.000177131034440653 =1.00027688564551 Memory used: 82 MB Time elapsed: 0 s ***** [NRG] Iteration 5/30 (scale 0.25503486164919736) ***** [1] xi(4)=0.2587908343008075 xi_scaled(4)=1.014727291113544 zeta(5)=0.006919501124486908 [2] xi(4)=0.2585481343955102 xi_scaled(4)=1.013775656879197 zeta(5)=-0.003435766341005733 Stats: nr=61 min=1 max=595 Emax=8.002423260977547 nrkept=2255 nrkeptmult=2255 Total energy=-3.256613879222672 Egs=-1.333392223797986 Kept: 2255 out of 7844, ratio=0.287 =-0.0004009249734926453 =1.000573231491957 Memory used: 107 MB Time elapsed: 1 s ***** [NRG] Iteration 6/30 (scale 0.18033688011112042) ***** [1] xi(5)=0.1804342968371353 xi_scaled(5)=1.000540193031813 zeta(6)=0.003496143658804522 [2] xi(5)=0.1803402826008494 xi_scaled(5)=1.0000188674093 zeta(6)=-0.001740209113138123 Stats: nr=69 min=1 max=757 Emax=8.000834506314838 nrkept=2115 nrkeptmult=2115 Total energy=-3.449633646427916 Egs=-1.070328859445216 Kept: 2115 out of 9020, ratio=0.234 =-0.0007997004813476438 =1.001058923307963 Memory used: 102 MB Time elapsed: 2 s ***** [NRG] Iteration 7/30 (scale 0.12751743082459868) ***** [1] xi(6)=0.1273564351908083 xi_scaled(6)=0.9987374617513126 zeta(7)=0.001812156820057729 [2] xi(6)=0.1273208118215554 xi_scaled(6)=0.9984581009688493 zeta(7)=-0.0009033532860018722 Stats: nr=60 min=2 max=642 Emax=8.003526246342036 nrkept=1877 nrkeptmult=1877 Total energy=-3.61116628036505 Egs=-1.266749438822392 Kept: 1877 out of 8460, ratio=0.222 =-0.001437430727664353 =1.001791981986412 Memory used: 101 MB Time elapsed: 3 s ***** [NRG] Iteration 8/30 (scale 0.090168440055560212) ***** [1] xi(7)=0.09008848705348886 xi_scaled(7)=0.999113292832591 zeta(8)=0.0009413929451064769 [2] xi(7)=0.09007489395532876 xi_scaled(7)=0.9989625405499551 zeta(8)=-0.0004696747850298452 Stats: nr=69 min=1 max=644 Emax=8.001365613673263 nrkept=1867 nrkeptmult=1867 Total energy=-3.712281804986549 Egs=-1.121407052835705 Kept: 1867 out of 7508, ratio=0.249 =-0.002402739455379677 =1.002692256888978 Memory used: 109 MB Time elapsed: 4 s ***** [NRG] Iteration 9/30 (scale 0.063758715412299341) ***** [1] xi(8)=0.06372753306827066 xi_scaled(8)=0.9995109320533351 zeta(9)=0.000487879989701104 [2] xi(8)=0.06372237423425843 xi_scaled(8)=0.9994300202285145 zeta(9)=-0.000243525287726016 Stats: nr=60 min=2 max=566 Emax=8.000750090445248 nrkept=1683 nrkeptmult=1683 Total energy=-3.789549739121083 Egs=-1.211880346629897 Kept: 1683 out of 7468, ratio=0.225 =-0.00375971706069579 =1.00366813502286 Memory used: 110 MB Time elapsed: 5 s ***** [NRG] Iteration 10/30 (scale 0.045084220027780106) ***** [1] xi(9)=0.04507281675758868 xi_scaled(9)=0.9997470673733648 zeta(10)=0.0002523007068625101 [2] xi(9)=0.04507087115770336 xi_scaled(9)=0.9997039125869644 zeta(10)=-0.0001259697404821498 Stats: nr=67 min=1 max=582 Emax=8.000735418047693 nrkept=1594 nrkeptmult=1594 Total energy=-3.84238645210853 Egs=-1.171955796393721 Kept: 1594 out of 6732, ratio=0.237 =-0.005585888735013259 =1.004309880636912 Memory used: 110 MB Time elapsed: 6 s ***** [NRG] Iteration 11/30 (scale 0.031879357706149671) ***** [1] xi(10)=0.03187529091740721 xi_scaled(10)=0.9998724319109581 zeta(11)=0.0001302622717668766 [2] xi(10)=0.03187456063881546 xi_scaled(10)=0.999849524341788 zeta(11)=-6.504817815268366e-05 Stats: nr=60 min=1 max=496 Emax=8.007426307314336 nrkept=1466 nrkeptmult=1466 Total energy=-3.879289300777284 Egs=-1.157578173591451 Kept: 1466 out of 6376, ratio=0.23 =-0.007929159422379897 =1.004473326713073 Memory used: 110 MB Time elapsed: 6 s ***** [NRG] Iteration 12/30 (scale 0.022542110013890053) ***** [1] xi(11)=0.02254067620374941 xi_scaled(11)=0.9999363941467876 zeta(12)=6.716875283841012e-05 [2] xi(11)=0.02254040308002519 xi_scaled(11)=0.9999242779906669 zeta(12)=-3.354489971049582e-05 Stats: nr=62 min=1 max=518 Emax=8.005416293811148 nrkept=1366 nrkeptmult=1366 Total energy=-3.906820627817339 Egs=-1.221328749752834 Kept: 1366 out of 5864, ratio=0.233 =-0.01094031509322754 =1.003612566292746 Memory used: 110 MB Time elapsed: 7 s ***** [NRG] Iteration 13/30 (scale 0.015939678853074835) ***** [1] xi(12)=0.01593917619314607 xi_scaled(12)=0.999968464864732 zeta(13)=3.459844107555103e-05 [2] xi(12)=0.01593907433910588 xi_scaled(12)=0.9999620748965818 zeta(13)=-1.728002420341605e-05 Stats: nr=60 min=1 max=426 Emax=8.003765815631688 nrkept=1290 nrkeptmult=1290 Total energy=-3.924433795485733 Egs=-1.104988866510087 Kept: 1290 out of 5464, ratio=0.236 =-0.01463490027923156 =1.001549945220291 Memory used: 110 MB Time elapsed: 7 s ***** [NRG] Iteration 14/30 (scale 0.011271055006945026) ***** [1] xi(13)=0.01127087930730008 xi_scaled(13)=0.9999844114286698 zeta(14)=1.780504544062928e-05 [2] xi(13)=0.01127084141598015 xi_scaled(13)=0.9999810496031876 zeta(14)=-8.893070561167021e-06 Stats: nr=61 min=1 max=465 Emax=8.000505801003118 nrkept=1159 nrkeptmult=1159 Total energy=-3.938745545396637 Egs=-1.269779084751606 Kept: 1159 out of 5160, ratio=0.225 =-0.0192649104216949 =0.9979965895438954 Memory used: 110 MB Time elapsed: 7 s ***** [NRG] Iteration 15/30 (scale 0.0079698394265374176) ***** [1] xi(14)=0.007969778111825549 xi_scaled(14)=0.9999923066565601 zeta(15)=9.155130288807967e-06 [2] xi(14)=0.007969764045497636 xi_scaled(14)=0.9999905417116021 zeta(15)=-4.572878236188728e-06 Stats: nr=58 min=1 max=368 Emax=8.007882012896264 nrkept=1113 nrkeptmult=1113 Total energy=-3.947165899216567 Egs=-1.056527411567697 Kept: 1113 out of 4636, ratio=0.24 =-0.02496840121052071 =0.9928582604677366 Memory used: 110 MB Time elapsed: 8 s ***** [NRG] Iteration 16/30 (scale 0.0056355275034725132) ***** [1] xi(15)=0.005635506128247414 xi_scaled(15)=0.9999962070586851 zeta(16)=4.70379234444144e-06 [2] xi(15)=0.005635500916467744 xi_scaled(15)=0.9999952822509068 zeta(16)=-2.34956319271563e-06 Stats: nr=56 min=1 max=405 Emax=8.004920621894943 nrkept=1002 nrkeptmult=1002 Total energy=-3.95457675927893 Egs=-1.315025089984358 Kept: 1002 out of 4452, ratio=0.225 =-0.0319471578594265 =0.9860963049203488 Memory used: 110 MB Time elapsed: 8 s ***** [NRG] Iteration 17/30 (scale 0.0039849197132687088) ***** [1] xi(16)=0.003984912264788384 xi_scaled(16)=0.9999981308330254 zeta(17)=2.414990626065243e-06 [2] xi(16)=0.003984910336979898 xi_scaled(16)=0.9999976470570338 zeta(17)=-1.206331617141074e-06 Stats: nr=58 min=1 max=332 Emax=8.003143076450856 nrkept=995 nrkeptmult=995 Total energy=-3.958624790341371 Egs=-1.015837545976709 Kept: 995 out of 4008, ratio=0.248 =-0.04020874489515562 =0.9777934550231574 Memory used: 110 MB Time elapsed: 8 s ***** [NRG] Iteration 18/30 (scale 0.0028177637517362566) ***** [1] xi(17)=0.002817761158146004 xi_scaled(17)=0.9999990795572371 zeta(18)=1.23903783211891e-06 [2] xi(17)=0.002817760446293152 xi_scaled(17)=0.9999988269268129 zeta(18)=-6.189378134452734e-07 Stats: nr=55 min=1 max=364 Emax=8.000909260524713 nrkept=873 nrkeptmult=873 Total energy=-3.962437449550039 Egs=-1.353079798233141 Kept: 873 out of 3980, ratio=0.219 =-0.04973258700871594 =0.9680380056019527 Memory used: 110 MB Time elapsed: 8 s ***** [NRG] Iteration 19/30 (scale 0.0019924598566343544) ***** [1] xi(18)=0.001992458952061891 xi_scaled(18)=0.9999995460021641 zeta(19)=6.352890737008044e-07 [2] xi(18)=0.001992458689484135 xi_scaled(18)=0.9999994142164443 zeta(19)=-3.173541856002688e-07 Stats: nr=56 min=1 max=293 Emax=8.003766842899156 nrkept=893 nrkeptmult=893 Total energy=-3.964401382258612 Egs=-0.9856824477712858 Kept: 893 out of 3492, ratio=0.256 =-0.05981668187478745 =0.9575886306126838 Memory used: 110 MB Time elapsed: 8 s ***** [NRG] Iteration 20/30 (scale 0.0014088818758681283) ***** [1] xi(19)=0.001408881561054143 xi_scaled(19)=0.9999997765504752 zeta(20)=3.255294252759625e-07 [2] xi(19)=0.001408881464431148 xi_scaled(19)=0.9999997079691442 zeta(20)=-1.626195926178542e-07 Stats: nr=55 min=1 max=333 Emax=8.0011399353949 nrkept=761 nrkeptmult=761 Total energy=-3.966347134136373 Egs=-1.381061046414405 Kept: 761 out of 3572, ratio=0.213 =-0.06997505136549606 =0.9470028758085706 Memory used: 110 MB Time elapsed: 9 s ***** [NRG] Iteration 21/30 (scale 0.0009962299283171772) ***** [1] xi(20)=0.0009962298169053075 xi_scaled(20)=0.99999988816651 zeta(21)=1.667071894676492e-07 [2] xi(20)=0.0009962297812876075 xi_scaled(20)=0.9999998524140206 zeta(21)=-8.328105193345944e-08 Stats: nr=54 min=1 max=261 Emax=8.006440462122542 nrkept=771 nrkeptmult=771 Total energy=-3.967309519794826 Egs=-0.9660276519491244 Kept: 771 out of 3044, ratio=0.253 =-0.07900612654254761 =0.9375464055564461 Memory used: 110 MB Time elapsed: 9 s ***** [NRG] Iteration 22/30 (scale 0.00070444093793406415) ***** [1] xi(21)=0.0007044408990695448 xi_scaled(21)=0.999999944829272 zeta(22)=8.532492351874147e-08 [2] xi(21)=0.0007044408860565683 xi_scaled(21)=0.9999999263565005 zeta(22)=-4.262619751610215e-08 Stats: nr=51 min=1 max=290 Emax=8.002013995741661 nrkept=672 nrkeptmult=672 Total energy=-3.968295110615535 Egs=-1.399110653051058 Kept: 672 out of 3084, ratio=0.218 =-0.08635013521878085 =0.9298323922202287 Memory used: 110 MB Time elapsed: 9 s ***** [NRG] Iteration 23/30 (scale 0.0004981149641585886) ***** [1] xi(22)=0.0004981149487112403 xi_scaled(22)=0.9999999689883875 zeta(23)=4.364823188030036e-08 [2] xi(22)=0.0004981149438549482 xi_scaled(22)=0.9999999592390475 zeta(23)=-2.18059882920077e-08 Stats: nr=53 min=1 max=234 Emax=8.003943022743323 nrkept=680 nrkeptmult=680 Total energy=-3.968770564195236 Egs=-0.954505714366998 Kept: 680 out of 2688, ratio=0.253 =-0.09161778618924288 =0.924298465060356 Memory used: 110 MB Time elapsed: 9 s ***** [NRG] Iteration 24/30 (scale 0.00035222046896703208) ***** [1] xi(23)=0.000352220463460695 xi_scaled(23)=0.9999999843667885 zeta(24)=2.231710654953134e-08 [2] xi(23)=0.0003522204617516836 xi_scaled(23)=0.9999999795146817 zeta(24)=-1.114949320075748e-08 Stats: nr=49 min=1 max=263 Emax=8.002932020319799 nrkept=609 nrkeptmult=609 Total energy=-3.969267059131814 Egs=-1.409614092088681 Kept: 609 out of 2720, ratio=0.224 =-0.09501449756595925 =0.9207168135842103 Memory used: 110 MB Time elapsed: 9 s ***** [NRG] Iteration 25/30 (scale 0.0002490574820792943) ***** [1] xi(24)=0.0002490574782224339 xi_scaled(24)=0.9999999845141757 zeta(25)=1.140516171041578e-08 [2] xi(24)=0.000249057477515359 xi_scaled(24)=0.999999981675173 zeta(25)=-5.698054445170625e-09 Stats: nr=53 min=1 max=213 Emax=8.000506668220822 nrkept=607 nrkeptmult=607 Total energy=-3.969503221112663 Egs=-0.9482227912883884 Kept: 607 out of 2436, ratio=0.249 =-0.09705017961792842 =0.918572709913489 Memory used: 110 MB Time elapsed: 9 s ***** [NRG] Iteration 26/30 (scale 0.00017611023448351604) ***** [1] xi(25)=0.0001761102330024103 xi_scaled(25)=0.9999999915898942 zeta(26)=5.825987879794859e-09 [2] xi(25)=0.000176110232814795 xi_scaled(25)=0.9999999905245653 zeta(26)=-2.910734198359831e-09 Stats: nr=46 min=1 max=229 Emax=8.001228000503392 nrkept=565 nrkeptmult=565 Total energy=-3.969752474025182 Egs=-1.415323267557384 Kept: 565 out of 2428, ratio=0.233 =-0.09812743369047847 =0.917436432355865 Memory used: 110 MB Time elapsed: 9 s ***** [NRG] Iteration 27/30 (scale 0.00012452874103964715) ***** [1] xi(26)=0.0001245287385802044 xi_scaled(26)=0.9999999802499993 zeta(27)=2.974815948930055e-09 [2] xi(26)=0.0001245287384304336 xi_scaled(26)=0.9999999790472982 zeta(27)=-1.486281736356301e-09 Stats: nr=52 min=1 max=202 Emax=8.001804554664036 nrkept=579 nrkeptmult=579 Total energy=-3.969870146037042 Egs=-0.944938581060137 Kept: 579 out of 2260, ratio=0.256 =-0.09870970931741489 =0.9168225698567934 Memory used: 110 MB Time elapsed: 9 s ***** [NRG] Iteration 28/30 (scale 8.8055117241758019e-05) ***** [1] xi(27)=8.80551162451921e-05 xi_scaled(27)=0.9999999886824757 zeta(28)=1.518414783395784e-09 [2] xi(27)=8.80551162615241e-05 xi_scaled(27)=0.9999999888679505 zeta(28)=-7.586476314440057e-10 Stats: nr=46 min=1 max=214 Emax=8.003060120276084 nrkept=548 nrkeptmult=548 Total energy=-3.969995035089704 Egs=-1.41830544975025 Kept: 548 out of 2316, ratio=0.237 =-0.09900064603335348 =0.9165156199911538 Memory used: 110 MB Time elapsed: 9 s ***** [NRG] Iteration 29/30 (scale 6.2264370519823575e-05) ***** [1] xi(28)=6.226436822901167e-05 xi_scaled(28)=0.9999999632083021 zeta(29)=7.748390277000552e-10 [2] xi(28)=6.226436815383021e-05 xi_scaled(28)=0.9999999620008467 zeta(29)=-3.871433809939064e-10 Stats: nr=52 min=1 max=198 Emax=8.004537720946303 nrkept=571 nrkeptmult=571 Total energy=-3.970053766565558 Egs=-0.9432597706108222 Kept: 571 out of 2192, ratio=0.26 =-0.09915294480495877 =0.9163549991503517 Memory used: 110 MB Time elapsed: 9 s ***** [NRG] Iteration 30/30 (scale 4.402755862087901e-05) ***** [1] xi(29)=4.402755768156493e-05 xi_scaled(29)=0.9999999786653152 zeta(30)=3.953173479486926e-10 [2] xi(29)=4.402755772511729e-05 xi_scaled(29)=0.999999979654522 zeta(30)=-1.975237945799103e-10 Stats: nr=46 min=1 max=211 Emax=8.006725501327505 nrkept=2284 nrkeptmult=2284 Total energy=-3.970116278218181 Egs=-1.419830092362438 Kept: 2284 out of 2284, ratio=1 =-0.09922454390789212 =0.9162795441340887 Memory used: 110 MB Time elapsed: 10 s ** Iteration completed. Total energy: -3.970116278218181 TKW=0.004139492812523145 Grand canonical Z= 1 Zft (last shell)= 1 Calculating density matrices. [DM] 29 [DM] 28 [DM] 27 [DM] 26 [DM] 25 [DM] 24 [DM] 23 [DM] 22 [DM] 21 [DM] 20 [DM] 19 [DM] 18 [DM] 17 [DM] 16 [DM] 15 [DM] 14 [DM] 13 [DM] 12 [DM] 11 [DM] 10 [DM] 9 [DM] 8 [DM] 7 [DM] 6 [DM] 5 [DM] 4 [DM] 3 [DM] 2 [DM] 1 Calculating full density matrices. [FDM] 29 [FDM] 28 [FDM] 27 [FDM] 26 [FDM] 25 [FDM] 24 [FDM] 23 [FDM] 22 [FDM] 21 [FDM] 20 [FDM] 19 [FDM] 18 [FDM] 17 [FDM] 16 [FDM] 15 [FDM] 14 [FDM] 13 [FDM] 12 [FDM] 11 [FDM] 10 [FDM] 9 [FDM] 8 [FDM] 7 [FDM] 6 [FDM] 5 [FDM] 4 [FDM] 3 [FDM] 2 [FDM] 1 >> Input file for NRG Ljubljana, Rok Zitko, rok.zitko@ijs.si, 2005-2015 SYMMETRY TYPE: QSZ >> Using sneg version 1.250 V8 >> Number of channels, impurities, chain sites, subspaces: channels=1 impurities=1 Nmax=30 subspaces=9 Reading <||||> (e) Reading <||n_d||> (s) Reading <||A_d||> (d) Reading <||self_d||> (d) Reading <||SZd||> (s) Reading <||||> (z) Number of invariant subspaces: 9 (-2 1) 1 states 0.1840276024861947 (-1 0) 2 states 0.06192374442451901 0.3125786967653201 (-1 2) 2 states 0.1177428866183107 0.1854315416448112 (0 -1) 1 states 0.1904748387036445 (0 1) 4 states 0 0.07791095570244003 0.2500625563947911 0.3259271758919096 (0 3) 1 states 0.1191468257769272 (1 0) 2 states 0.1309846040048933 0.2197416557211254 (1 2) 2 states 0.01602628458942449 0.263371962209877 (2 1) 1 states 0.1602514210223743 Number of states (multiplicity taken into account): 16 Computing the following operators: s=[] p=[] g=[] d=[A_d self_d ] v=[] t=[] q=[] ot=[] Computing the following spectra: Spectrum: A_d-A_d-d FDM Spectrum: self_d-A_d-d FDM Spectrum: A_d-A_d-u FDM Spectrum: self_d-A_d-u FDM ***** [DM] Iteration 1/30 (scale 1.0201394465967895) ***** [1] xi(0)=0.590982313820971 xi_scaled(0)=0.5793152257688914 zeta(1)=0.00842293006017867 [2] xi(0)=0.5939644255358095 xi_scaled(0)=0.5822384650620948 zeta(1)=-0.004514382820896246 Stats: nr=16 min=1 max=9 Emax=2.403509431471023 nrkept=64 nrkeptmult=64 Kept: 64 out of 64, ratio=1 Memory used: 107 MB Time elapsed: 13 s ***** [DM] Iteration 2/30 (scale 0.72134752044448169) ***** [1] xi(1)=0.5606036341841488 xi_scaled(1)=0.7771616568928035 zeta(2)=0.008485986680207709 [2] xi(1)=0.5602139495509845 xi_scaled(1)=0.7766214392832327 zeta(2)=-0.004159654475733007 Stats: nr=25 min=1 max=36 Emax=4.985535007111536 nrkept=256 nrkeptmult=256 Kept: 256 out of 256, ratio=1 Memory used: 107 MB Time elapsed: 13 s ***** [DM] Iteration 3/30 (scale 0.51006972329839473) ***** [1] xi(2)=0.5067810041451396 xi_scaled(2)=0.9935524125368813 zeta(3)=0.01901694081494296 [2] xi(2)=0.5065701794541487 xi_scaled(2)=0.9931390872965052 zeta(3)=-0.009422212337851166 Stats: nr=36 min=1 max=100 Emax=8.050149077250687 nrkept=965 nrkeptmult=965 Kept: 965 out of 1024, ratio=0.942 Memory used: 107 MB Time elapsed: 13 s ***** [DM] Iteration 4/30 (scale 0.36067376022224085) ***** [1] xi(3)=0.3767517442707383 xi_scaled(3)=1.044577637249215 zeta(4)=0.01375039565419673 [2] xi(3)=0.3763230626283569 xi_scaled(3)=1.043389079362117 zeta(4)=-0.00681192289012422 Stats: nr=49 min=1 max=369 Emax=8.001064870552741 nrkept=1961 nrkeptmult=1961 Kept: 1961 out of 3860, ratio=0.508 Memory used: 107 MB Time elapsed: 14 s ***** [DM] Iteration 5/30 (scale 0.25503486164919736) ***** [1] xi(4)=0.2587908343008075 xi_scaled(4)=1.014727291113544 zeta(5)=0.006919501124486908 [2] xi(4)=0.2585481343955102 xi_scaled(4)=1.013775656879197 zeta(5)=-0.003435766341005733 Stats: nr=61 min=1 max=595 Emax=8.002423260977547 nrkept=2255 nrkeptmult=2255 Kept: 2255 out of 7844, ratio=0.287 Memory used: 165 MB Time elapsed: 15 s ***** [DM] Iteration 6/30 (scale 0.18033688011112042) ***** [1] xi(5)=0.1804342968371353 xi_scaled(5)=1.000540193031813 zeta(6)=0.003496143658804522 [2] xi(5)=0.1803402826008494 xi_scaled(5)=1.0000188674093 zeta(6)=-0.001740209113138123 Stats: nr=69 min=1 max=757 Emax=8.000834506314838 nrkept=2115 nrkeptmult=2115 Kept: 2115 out of 9020, ratio=0.234 Memory used: 188 MB Time elapsed: 16 s ***** [DM] Iteration 7/30 (scale 0.12751743082459868) ***** [1] xi(6)=0.1273564351908083 xi_scaled(6)=0.9987374617513126 zeta(7)=0.001812156820057729 [2] xi(6)=0.1273208118215554 xi_scaled(6)=0.9984581009688493 zeta(7)=-0.0009033532860018722 Stats: nr=60 min=2 max=642 Emax=8.003526246342036 nrkept=1877 nrkeptmult=1877 Kept: 1877 out of 8460, ratio=0.222 Memory used: 188 MB Time elapsed: 18 s ***** [DM] Iteration 8/30 (scale 0.090168440055560212) ***** [1] xi(7)=0.09008848705348886 xi_scaled(7)=0.999113292832591 zeta(8)=0.0009413929451064769 [2] xi(7)=0.09007489395532876 xi_scaled(7)=0.9989625405499551 zeta(8)=-0.0004696747850298452 Stats: nr=69 min=1 max=644 Emax=8.001365613673263 nrkept=1867 nrkeptmult=1867 Kept: 1867 out of 7508, ratio=0.249 Memory used: 188 MB Time elapsed: 19 s ***** [DM] Iteration 9/30 (scale 0.063758715412299341) ***** [1] xi(8)=0.06372753306827066 xi_scaled(8)=0.9995109320533351 zeta(9)=0.000487879989701104 [2] xi(8)=0.06372237423425843 xi_scaled(8)=0.9994300202285145 zeta(9)=-0.000243525287726016 Stats: nr=60 min=2 max=566 Emax=8.000750090445248 nrkept=1683 nrkeptmult=1683 Kept: 1683 out of 7468, ratio=0.225 Memory used: 188 MB Time elapsed: 20 s ***** [DM] Iteration 10/30 (scale 0.045084220027780106) ***** [1] xi(9)=0.04507281675758868 xi_scaled(9)=0.9997470673733648 zeta(10)=0.0002523007068625101 [2] xi(9)=0.04507087115770336 xi_scaled(9)=0.9997039125869644 zeta(10)=-0.0001259697404821498 Stats: nr=67 min=1 max=582 Emax=8.000735418047693 nrkept=1594 nrkeptmult=1594 Kept: 1594 out of 6732, ratio=0.237 Memory used: 188 MB Time elapsed: 20 s ***** [DM] Iteration 11/30 (scale 0.031879357706149671) ***** [1] xi(10)=0.03187529091740721 xi_scaled(10)=0.9998724319109581 zeta(11)=0.0001302622717668766 [2] xi(10)=0.03187456063881546 xi_scaled(10)=0.999849524341788 zeta(11)=-6.504817815268366e-05 Stats: nr=60 min=1 max=496 Emax=8.007426307314336 nrkept=1466 nrkeptmult=1466 Kept: 1466 out of 6376, ratio=0.23 Memory used: 188 MB Time elapsed: 21 s ***** [DM] Iteration 12/30 (scale 0.022542110013890053) ***** [1] xi(11)=0.02254067620374941 xi_scaled(11)=0.9999363941467876 zeta(12)=6.716875283841012e-05 [2] xi(11)=0.02254040308002519 xi_scaled(11)=0.9999242779906669 zeta(12)=-3.354489971049582e-05 Stats: nr=62 min=1 max=518 Emax=8.005416293811148 nrkept=1366 nrkeptmult=1366 Kept: 1366 out of 5864, ratio=0.233 Memory used: 188 MB Time elapsed: 22 s ***** [DM] Iteration 13/30 (scale 0.015939678853074835) ***** [1] xi(12)=0.01593917619314607 xi_scaled(12)=0.999968464864732 zeta(13)=3.459844107555103e-05 [2] xi(12)=0.01593907433910588 xi_scaled(12)=0.9999620748965818 zeta(13)=-1.728002420341605e-05 Stats: nr=60 min=1 max=426 Emax=8.003765815631688 nrkept=1290 nrkeptmult=1290 Kept: 1290 out of 5464, ratio=0.236 Memory used: 188 MB Time elapsed: 22 s ***** [DM] Iteration 14/30 (scale 0.011271055006945026) ***** [1] xi(13)=0.01127087930730008 xi_scaled(13)=0.9999844114286698 zeta(14)=1.780504544062928e-05 [2] xi(13)=0.01127084141598015 xi_scaled(13)=0.9999810496031876 zeta(14)=-8.893070561167021e-06 Stats: nr=61 min=1 max=465 Emax=8.000505801003118 nrkept=1159 nrkeptmult=1159 Kept: 1159 out of 5160, ratio=0.225 Memory used: 188 MB Time elapsed: 23 s ***** [DM] Iteration 15/30 (scale 0.0079698394265374176) ***** [1] xi(14)=0.007969778111825549 xi_scaled(14)=0.9999923066565601 zeta(15)=9.155130288807967e-06 [2] xi(14)=0.007969764045497636 xi_scaled(14)=0.9999905417116021 zeta(15)=-4.572878236188728e-06 Stats: nr=58 min=1 max=368 Emax=8.007882012896264 nrkept=1113 nrkeptmult=1113 Kept: 1113 out of 4636, ratio=0.24 Memory used: 188 MB Time elapsed: 23 s ***** [DM] Iteration 16/30 (scale 0.0056355275034725132) ***** [1] xi(15)=0.005635506128247414 xi_scaled(15)=0.9999962070586851 zeta(16)=4.70379234444144e-06 [2] xi(15)=0.005635500916467744 xi_scaled(15)=0.9999952822509068 zeta(16)=-2.34956319271563e-06 Stats: nr=56 min=1 max=405 Emax=8.004920621894943 nrkept=1002 nrkeptmult=1002 Kept: 1002 out of 4452, ratio=0.225 Memory used: 188 MB Time elapsed: 24 s ***** [DM] Iteration 17/30 (scale 0.0039849197132687088) ***** [1] xi(16)=0.003984912264788384 xi_scaled(16)=0.9999981308330254 zeta(17)=2.414990626065243e-06 [2] xi(16)=0.003984910336979898 xi_scaled(16)=0.9999976470570338 zeta(17)=-1.206331617141074e-06 Stats: nr=58 min=1 max=332 Emax=8.003143076450856 nrkept=995 nrkeptmult=995 Kept: 995 out of 4008, ratio=0.248 Memory used: 188 MB Time elapsed: 24 s ***** [DM] Iteration 18/30 (scale 0.0028177637517362566) ***** [1] xi(17)=0.002817761158146004 xi_scaled(17)=0.9999990795572371 zeta(18)=1.23903783211891e-06 [2] xi(17)=0.002817760446293152 xi_scaled(17)=0.9999988269268129 zeta(18)=-6.189378134452734e-07 Stats: nr=55 min=1 max=364 Emax=8.000909260524713 nrkept=873 nrkeptmult=873 Kept: 873 out of 3980, ratio=0.219 Memory used: 188 MB Time elapsed: 25 s ***** [DM] Iteration 19/30 (scale 0.0019924598566343544) ***** [1] xi(18)=0.001992458952061891 xi_scaled(18)=0.9999995460021641 zeta(19)=6.352890737008044e-07 [2] xi(18)=0.001992458689484135 xi_scaled(18)=0.9999994142164443 zeta(19)=-3.173541856002688e-07 Stats: nr=56 min=1 max=293 Emax=8.003766842899156 nrkept=893 nrkeptmult=893 Kept: 893 out of 3492, ratio=0.256 Memory used: 188 MB Time elapsed: 25 s ***** [DM] Iteration 20/30 (scale 0.0014088818758681283) ***** [1] xi(19)=0.001408881561054143 xi_scaled(19)=0.9999997765504752 zeta(20)=3.255294252759625e-07 [2] xi(19)=0.001408881464431148 xi_scaled(19)=0.9999997079691442 zeta(20)=-1.626195926178542e-07 Stats: nr=55 min=1 max=333 Emax=8.0011399353949 nrkept=761 nrkeptmult=761 Kept: 761 out of 3572, ratio=0.213 Memory used: 188 MB Time elapsed: 25 s ***** [DM] Iteration 21/30 (scale 0.0009962299283171772) ***** [1] xi(20)=0.0009962298169053075 xi_scaled(20)=0.99999988816651 zeta(21)=1.667071894676492e-07 [2] xi(20)=0.0009962297812876075 xi_scaled(20)=0.9999998524140206 zeta(21)=-8.328105193345944e-08 Stats: nr=54 min=1 max=261 Emax=8.006440462122542 nrkept=771 nrkeptmult=771 Kept: 771 out of 3044, ratio=0.253 Memory used: 188 MB Time elapsed: 25 s ***** [DM] Iteration 22/30 (scale 0.00070444093793406415) ***** [1] xi(21)=0.0007044408990695448 xi_scaled(21)=0.999999944829272 zeta(22)=8.532492351874147e-08 [2] xi(21)=0.0007044408860565683 xi_scaled(21)=0.9999999263565005 zeta(22)=-4.262619751610215e-08 Stats: nr=51 min=1 max=290 Emax=8.002013995741661 nrkept=672 nrkeptmult=672 Kept: 672 out of 3084, ratio=0.218 Memory used: 188 MB Time elapsed: 25 s ***** [DM] Iteration 23/30 (scale 0.0004981149641585886) ***** [1] xi(22)=0.0004981149487112403 xi_scaled(22)=0.9999999689883875 zeta(23)=4.364823188030036e-08 [2] xi(22)=0.0004981149438549482 xi_scaled(22)=0.9999999592390475 zeta(23)=-2.18059882920077e-08 Stats: nr=53 min=1 max=234 Emax=8.003943022743323 nrkept=680 nrkeptmult=680 Kept: 680 out of 2688, ratio=0.253 Memory used: 188 MB Time elapsed: 26 s ***** [DM] Iteration 24/30 (scale 0.00035222046896703208) ***** [1] xi(23)=0.000352220463460695 xi_scaled(23)=0.9999999843667885 zeta(24)=2.231710654953134e-08 [2] xi(23)=0.0003522204617516836 xi_scaled(23)=0.9999999795146817 zeta(24)=-1.114949320075748e-08 Stats: nr=49 min=1 max=263 Emax=8.002932020319799 nrkept=609 nrkeptmult=609 Kept: 609 out of 2720, ratio=0.224 Memory used: 188 MB Time elapsed: 26 s ***** [DM] Iteration 25/30 (scale 0.0002490574820792943) ***** [1] xi(24)=0.0002490574782224339 xi_scaled(24)=0.9999999845141757 zeta(25)=1.140516171041578e-08 [2] xi(24)=0.000249057477515359 xi_scaled(24)=0.999999981675173 zeta(25)=-5.698054445170625e-09 Stats: nr=53 min=1 max=213 Emax=8.000506668220822 nrkept=607 nrkeptmult=607 Kept: 607 out of 2436, ratio=0.249 Memory used: 188 MB Time elapsed: 26 s ***** [DM] Iteration 26/30 (scale 0.00017611023448351604) ***** [1] xi(25)=0.0001761102330024103 xi_scaled(25)=0.9999999915898942 zeta(26)=5.825987879794859e-09 [2] xi(25)=0.000176110232814795 xi_scaled(25)=0.9999999905245653 zeta(26)=-2.910734198359831e-09 Stats: nr=46 min=1 max=229 Emax=8.001228000503392 nrkept=565 nrkeptmult=565 Kept: 565 out of 2428, ratio=0.233 Memory used: 188 MB Time elapsed: 26 s ***** [DM] Iteration 27/30 (scale 0.00012452874103964715) ***** [1] xi(26)=0.0001245287385802044 xi_scaled(26)=0.9999999802499993 zeta(27)=2.974815948930055e-09 [2] xi(26)=0.0001245287384304336 xi_scaled(26)=0.9999999790472982 zeta(27)=-1.486281736356301e-09 Stats: nr=52 min=1 max=202 Emax=8.001804554664036 nrkept=579 nrkeptmult=579 Kept: 579 out of 2260, ratio=0.256 Memory used: 188 MB Time elapsed: 26 s ***** [DM] Iteration 28/30 (scale 8.8055117241758019e-05) ***** [1] xi(27)=8.80551162451921e-05 xi_scaled(27)=0.9999999886824757 zeta(28)=1.518414783395784e-09 [2] xi(27)=8.80551162615241e-05 xi_scaled(27)=0.9999999888679505 zeta(28)=-7.586476314440057e-10 Stats: nr=46 min=1 max=214 Emax=8.003060120276084 nrkept=548 nrkeptmult=548 Kept: 548 out of 2316, ratio=0.237 Memory used: 188 MB Time elapsed: 27 s ***** [DM] Iteration 29/30 (scale 6.2264370519823575e-05) ***** [1] xi(28)=6.226436822901167e-05 xi_scaled(28)=0.9999999632083021 zeta(29)=7.748390277000552e-10 [2] xi(28)=6.226436815383021e-05 xi_scaled(28)=0.9999999620008467 zeta(29)=-3.871433809939064e-10 Stats: nr=52 min=1 max=198 Emax=8.004537720946303 nrkept=571 nrkeptmult=571 Kept: 571 out of 2192, ratio=0.26 Memory used: 188 MB Time elapsed: 27 s ***** [DM] Iteration 30/30 (scale 4.402755862087901e-05) ***** [1] xi(29)=4.402755768156493e-05 xi_scaled(29)=0.9999999786653152 zeta(30)=3.953173479486926e-10 [2] xi(29)=4.402755772511729e-05 xi_scaled(29)=0.999999979654522 zeta(30)=-1.975237945799103e-10 Stats: nr=46 min=1 max=211 Emax=8.006725501327505 nrkept=2284 nrkeptmult=2284 Kept: 2284 out of 2284, ratio=1 Memory used: 188 MB Time elapsed: 27 s ** Iteration completed. Spectrum: A_d-A_d-d FDM [A_d-A_d-d] pos=0.4429166640794502 neg=0.557083335920004 sum= 0.9999999999994542 mu1=-0.00708592475824818 mu2=0.03310973953083814 mu3=0.0006959004410028308 mu4=0.01338475377094489 f=0.4429166640794502 b=0.4429166640794502 Spectrum: self_d-A_d-d FDM [self_d-A_d-d] pos=-0.0004428127727672355 neg=-0.006568302859904094 sum= -0.007011115632671329 mu1=0.0006320664594916028 mu2=-0.0002330356135252411 mu3=3.894782516650785e-05 mu4=-9.218436030635066e-05 f=-0.0004428127727672355 b=-0.0004428127727672355 Spectrum: A_d-A_d-u FDM [A_d-A_d-u] pos=0.6402223126531219 neg=0.3597776873460238 sum= 0.9999999999991457 mu1=0.002887357430916783 mu2=0.002585489301223514 mu3=-9.12689903293033e-05 mu4=0.0007988180990506051 f=0.6402223126531219 b=0.6402223126531219 Spectrum: self_d-A_d-u FDM [self_d-A_d-u] pos=0.004489828441291925 neg=-0.001635661645324147 sum= 0.002854166795967778 mu1=0.0006331699967949909 mu2=4.233240271877058e-05 mu3=5.953196804907365e-05 mu4=1.219154050179137e-05 f=0.004489828441291925 b=0.004489828441291925 Memory usage report =================== after diag: 192700 kB after recalc: 219572 kB after split: 192700 kB after trim: 192700 kB after trunc: 192700 kB diag_h: 121764 kB Peak usage: 219572 kB Timing report ============= All: 27 s DM: 1 s FDM: 2 s diag: 7 s recalc d: 4 s recalc s: 0 s spec d: 7 s Other: 3 s