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=1 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 0.2569852067918784 (-1) 4 states 0.0831434410624154 0.1671786267082565 0.2605667465679519 0.4371802284831526 (0) 6 states 0 0.1066623395696837 0.17076016648433 0.2633384627536897 0.3532009693842807 0.4573468566955022 (1) 4 states 0.02357401212965026 0.1839636631601466 0.3055011292131117 0.3733124839742484 (2) 1 states 0.2261263296195687 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) =-1.107784973088544e-05 =1.000016964171234 ***** [NRG] Iteration 1/30 (scale 0.72134752044448169) ***** [1] xi(0)=0.5415327242368502 xi_scaled(0)=0.7507237619714381 zeta(1)=0.02210697425548219 [2] xi(0)=0.5442630713922633 xi_scaled(0)=0.754508826836887 zeta(1)=-0.01125485712340422 Stats: nr=7 min=1 max=20 Emax=3.132736955045023 nrkept=64 nrkeptmult=64 Total energy=-1.142466856854507 Egs=-1.242183917957782 Kept: 64 out of 64, ratio=1 =-2.862304808717513e-05 =1.000043332705288 Memory used: 46 MB Time elapsed: 0 s ***** [NRG] Iteration 2/30 (scale 0.51006972329839473) ***** [1] xi(1)=0.4164315383883223 xi_scaled(1)=0.8164208134045756 zeta(2)=0.01322447328726291 [2] xi(1)=0.41581158627636 xi_scaled(1)=0.8152053871919526 zeta(2)=-0.006519487555013498 Stats: nr=9 min=1 max=70 Emax=5.959243109147814 nrkept=256 nrkeptmult=256 Total energy=-1.532450215137178 Egs=-0.7645687255476015 Kept: 256 out of 256, ratio=1 =-7.467999237973991e-05 =1.000111180905232 Memory used: 63 MB Time elapsed: 0 s ***** [NRG] Iteration 3/30 (scale 0.36067376022224085) ***** [1] xi(2)=0.3223653030562365 xi_scaled(2)=0.8937864036951305 zeta(3)=0.009287724358676116 [2] xi(2)=0.3220631645118798 xi_scaled(2)=0.8929486977744934 zeta(3)=-0.004601612784608954 Stats: nr=11 min=1 max=252 Emax=8.015122291669234 nrkept=881 nrkeptmult=881 Total energy=-1.988182201669351 Egs=-1.263557366223035 Kept: 881 out of 1024, ratio=0.86 =-0.0001868672025597758 =1.000263807561996 Memory used: 76 MB Time elapsed: 0 s ***** [NRG] Iteration 4/30 (scale 0.25503486164919736) ***** [1] xi(3)=0.2405081109411458 xi_scaled(3)=0.94304013728118 zeta(4)=0.005746025134785691 [2] xi(3)=0.2403395234664446 xi_scaled(3)=0.9423791003013292 zeta(4)=-0.002854201686883463 Stats: nr=13 min=1 max=784 Emax=8.182212228109398 nrkept=1697 nrkeptmult=1697 Total energy=-2.23858498178585 Egs=-0.9818374574254466 Kept: 1697 out of 3524, ratio=0.482 =-0.0004039083545239503 =1.000565760735155 Memory used: 107 MB Time elapsed: 1 s ***** [NRG] Iteration 5/30 (scale 0.18033688011112042) ***** [1] xi(4)=0.1750221053448496 xi_scaled(4)=0.9705286308435859 zeta(5)=0.003265225269092582 [2] xi(4)=0.1749425893424457 xi_scaled(4)=0.9700877005005809 zeta(5)=-0.001625193395517177 Stats: nr=13 min=4 max=1429 Emax=8.011062622466712 nrkept=1845 nrkeptmult=1845 Total energy=-2.467773591754936 Egs=-1.2708915105322 Kept: 1845 out of 6788, ratio=0.272 =-0.0008210456476307097 =1.001088089792316 Memory used: 151 MB Time elapsed: 5 s ***** [NRG] Iteration 6/30 (scale 0.12751743082459868) ***** [1] xi(5)=0.1256081532649177 xi_scaled(5)=0.9850273209918479 zeta(6)=0.00177168417795235 [2] xi(5)=0.125574494727707 xi_scaled(5)=0.9847633685502638 zeta(6)=-0.0008830041714469234 Stats: nr=13 min=5 max=1548 Emax=8.001451341326643 nrkept=1985 nrkeptmult=1985 Total energy=-2.605571010654357 Egs=-1.080616336200836 Kept: 1985 out of 7380, ratio=0.269 =-0.001479061440749596 =1.001837199832894 Memory used: 154 MB Time elapsed: 11 s ***** [NRG] Iteration 7/30 (scale 0.090168440055560212) ***** [1] xi(6)=0.08948872072366504 xi_scaled(6)=0.9924616713843963 zeta(7)=0.0009382419361908475 [2] xi(6)=0.08947528210449801 xi_scaled(6)=0.9923126323286164 zeta(7)=-0.0004679997199420982 Stats: nr=13 min=4 max=1673 Emax=8.002825452137506 nrkept=1802 nrkeptmult=1802 Total energy=-2.716813764591997 Egs=-1.233721619993579 Kept: 1802 out of 7940, ratio=0.227 =-0.002492886199156882 =1.002775739626738 Memory used: 185 MB Time elapsed: 17 s ***** [NRG] Iteration 8/30 (scale 0.063758715412299341) ***** [1] xi(7)=0.06351779582610834 xi_scaled(7)=0.9962213858194431 zeta(8)=0.0004905664577727363 [2] xi(7)=0.06351259603947744 xi_scaled(7)=0.9961398316884154 zeta(8)=-0.0002448133759721562 Stats: nr=13 min=4 max=1514 Emax=8.000898021020159 nrkept=1732 nrkeptmult=1732 Total energy=-2.789690821972375 Egs=-1.143013263506243 Kept: 1732 out of 7208, ratio=0.24 =-0.003873927725183885 =1.003755984736713 Memory used: 151 MB Time elapsed: 22 s ***** [NRG] Iteration 9/30 (scale 0.045084220027780106) ***** [1] xi(8)=0.04499901564239941 xi_scaled(8)=0.9981101062560649 zeta(9)=0.0002547361815953344 [2] xi(8)=0.04499703673341851 xi_scaled(8)=0.9980662126502826 zeta(9)=-0.0001271592789455232 Stats: nr=13 min=3 max=1472 Emax=8.001164335538666 nrkept=1564 nrkeptmult=1564 Total energy=-2.843052817190412 Egs=-1.18360692910195 Kept: 1564 out of 6928, ratio=0.226 =-0.005767057750607658 =1.004444716338414 Memory used: 151 MB Time elapsed: 27 s ***** [NRG] Iteration 10/30 (scale 0.031879357706149671) ***** [1] xi(9)=0.03184925634821288 xi_scaled(9)=0.9990557727600961 zeta(10)=0.0001317616517582312 [2] xi(9)=0.0318485114828807 xi_scaled(9)=0.999032407630251 zeta(10)=-6.578373426552374e-05 Stats: nr=13 min=2 max=1339 Emax=8.003847932100143 nrkept=1474 nrkeptmult=1474 Total energy=-2.881154931264487 Egs=-1.195197043343325 Kept: 1474 out of 6256, ratio=0.236 =-0.008198341523781353 =1.004563993483758 Memory used: 186 MB Time elapsed: 31 s ***** [NRG] Iteration 11/30 (scale 0.022542110013890053) ***** [1] xi(10)=0.02253148211697311 xi_scaled(10)=0.9995285314058715 zeta(11)=6.799118897881236e-05 [2] xi(10)=0.02253120253656444 xi_scaled(10)=0.9995161288220625 zeta(11)=-3.394904513756363e-05 Stats: nr=13 min=2 max=1272 Emax=8.001595994134606 nrkept=1379 nrkeptmult=1379 Total energy=-2.906658259947631 Egs=-1.131363863783368 Kept: 1379 out of 5896, ratio=0.234 =-0.01125332793195344 =1.003716306659547 Memory used: 186 MB Time elapsed: 34 s ***** [NRG] Iteration 12/30 (scale 0.015939678853074835) ***** [1] xi(11)=0.01593592690472654 xi_scaled(11)=0.9997646158129735 zeta(12)=3.502843225658702e-05 [2] xi(11)=0.01593582334114207 xi_scaled(11)=0.9997581185939629 zeta(12)=-1.749149330814349e-05 Stats: nr=13 min=1 max=1191 Emax=8.000151557917958 nrkept=1240 nrkeptmult=1240 Total energy=-2.926494787562017 Egs=-1.244474734857012 Kept: 1240 out of 5516, ratio=0.225 =-0.01510451939233649 =1.001564949410662 Memory used: 186 MB Time elapsed: 37 s ***** [NRG] Iteration 13/30 (scale 0.011271055006945026) ***** [1] xi(12)=0.01126973123251025 xi_scaled(12)=0.999882550973803 zeta(13)=1.802489409536351e-05 [2] xi(12)=0.01126969210099879 xi_scaled(12)=0.9998790791150081 zeta(13)=-9.001227952766544e-06 Stats: nr=13 min=2 max=1085 Emax=8.000293833574666 nrkept=1189 nrkeptmult=1189 Total energy=-2.938680361976937 Egs=-1.0811387582983 Kept: 1189 out of 4960, ratio=0.24 =-0.01984571187549271 =0.9979264718922057 Memory used: 186 MB Time elapsed: 40 s ***** [NRG] Iteration 14/30 (scale 0.0079698394265374176) ***** [1] xi(13)=0.007969371790572355 xi_scaled(13)=0.9999413242927448 zeta(14)=9.266300635846386e-06 [2] xi(13)=0.007969357992781083 xi_scaled(13)=0.9999395930418959 zeta(14)=-4.627583820663299e-06 Stats: nr=13 min=1 max=1044 Safeguard: keep additional 1 states Emax=8.001642897322515 nrkept=1070 nrkeptmult=1070 Total energy=-2.948972423633012 Egs=-1.291376288185259 Kept: 1070 out of 4756, ratio=0.225 =-0.02574064631907226 =0.9926061762665424 Memory used: 186 MB Time elapsed: 42 s ***** [NRG] Iteration 15/30 (scale 0.0056355275034725132) ***** [1] xi(14)=0.005635362884881538 xi_scaled(14)=0.9999707891424763 zeta(15)=4.759701995850149e-06 [2] xi(14)=0.005635357160618368 xi_scaled(14)=0.9999697733967157 zeta(15)=-2.377075780266651e-06 Stats: nr=13 min=1 max=951 Emax=8.001101969193595 nrkept=1040 nrkeptmult=1040 Total energy=-2.954814863609255 Egs=-1.036715724063761 Kept: 1040 out of 4280, ratio=0.243 =-0.03289111472901585 =0.9856733886411909 Memory used: 186 MB Time elapsed: 43 s ***** [NRG] Iteration 16/30 (scale 0.0039849197132687088) ***** [1] xi(15)=0.003984861148921199 xi_scaled(15)=0.9999853035062879 zeta(16)=2.443027340039196e-06 [2] xi(15)=0.003984859753108794 xi_scaled(15)=0.9999849532326298 zeta(16)=-1.220130739224683e-06 Stats: nr=13 min=1 max=920 Emax=8.004832047253515 nrkept=940 nrkeptmult=940 Total energy=-2.960126310133444 Egs=-1.332886709486897 Kept: 940 out of 4160, ratio=0.226 =-0.0414340096239026 =0.9770744587974125 Memory used: 186 MB Time elapsed: 45 s ***** [NRG] Iteration 17/30 (scale 0.0028177637517362566) ***** [1] xi(16)=0.002817743487996776 xi_scaled(16)=0.9999928085740091 zeta(17)=1.253077327724386e-06 [2] xi(16)=0.002817742358858706 xi_scaled(16)=0.999992407852668 zeta(17)=-6.258466184906997e-07 Stats: nr=13 min=1 max=837 Emax=8.001649647190952 nrkept=937 nrkeptmult=937 Total energy=-2.96294888806102 Egs=-1.001708509394035 Kept: 937 out of 3760, ratio=0.249 =-0.0511220242326229 =0.9671371720181335 Memory used: 186 MB Time elapsed: 46 s ***** [NRG] Iteration 18/30 (scale 0.0019924598566343544) ***** [1] xi(17)=0.001992452231573183 xi_scaled(17)=0.9999961730415067 zeta(18)=6.423158565873491e-07 [2] xi(17)=0.00199245253417022 xi_scaled(17)=0.9999963249125897 zeta(18)=-3.208130802417996e-07 Stats: nr=13 min=1 max=835 Emax=8.000069812151821 nrkept=821 nrkeptmult=821 Total energy=-2.965669388619015 Egs=-1.365397927058159 Kept: 821 out of 3748, ratio=0.219 =-0.06162921193997916 =0.9562457490324203 Memory used: 186 MB Time elapsed: 47 s ***** [NRG] Iteration 19/30 (scale 0.0014088818758681283) ***** [1] xi(18)=0.001408879585361896 xi_scaled(18)=0.9999983742382724 zeta(19)=3.290412765532999e-07 [2] xi(18)=0.001408879085180296 xi_scaled(18)=0.9999980192180197 zeta(19)=-1.643475746666812e-07 Stats: nr=12 min=1 max=738 Emax=8.00193620582117 nrkept=821 nrkeptmult=821 Total energy=-2.967046595636666 Egs=-0.9775177332038202 Kept: 821 out of 3284, ratio=0.25 =-0.07191716171802776 =0.9455066082201272 Memory used: 186 MB Time elapsed: 47 s ***** [NRG] Iteration 20/30 (scale 0.0009962299283171772) ***** [1] xi(19)=0.0009962286475779854 xi_scaled(19)=0.9999987144140571 zeta(20)=1.684683416192954e-07 [2] xi(19)=0.0009962291783775323 xi_scaled(19)=0.9999992472223294 zeta(20)=-8.414816224348311e-08 Stats: nr=12 min=1 max=741 Emax=8.003662688077979 nrkept=718 nrkeptmult=718 Total energy=-2.968428989051493 Egs=-1.387624860018333 Kept: 718 out of 3284, ratio=0.219 =-0.08121951068738892 =0.935755283034526 Memory used: 186 MB Time elapsed: 48 s ***** [NRG] Iteration 21/30 (scale 0.00070444093793406415) ***** [1] xi(20)=0.000704440881035897 xi_scaled(20)=0.9999999192293291 zeta(21)=8.619874932329701e-08 [2] xi(20)=0.0007044404723377786 xi_scaled(20)=0.9999993390556106 zeta(21)=-4.30560183751447e-08 Stats: nr=11 min=6 max=648 Emax=8.003593333271439 nrkept=725 nrkeptmult=725 Total energy=-2.969107144088734 Egs=-0.9626854441903179 Kept: 725 out of 2872, ratio=0.252 =-0.08868516372328361 =0.9279134717627087 Memory used: 186 MB Time elapsed: 49 s ***** [NRG] Iteration 22/30 (scale 0.0004981149641585886) ***** [1] xi(21)=0.000498114481127572 xi_scaled(21)=0.9999990302820607 zeta(22)=4.409472809203903e-08 [2] xi(21)=0.0004981150310547584 xi_scaled(21)=1.000000134298655 zeta(22)=-2.202594827417978e-08 Stats: nr=12 min=1 max=655 Emax=8.005478687131026 nrkept=633 nrkeptmult=633 Total energy=-2.969805067540989 Egs=-1.401129262265807 Kept: 633 out of 2900, ratio=0.218 =-0.09407249622236863 =0.9222370898768659 Memory used: 186 MB Time elapsed: 49 s ***** [NRG] Iteration 23/30 (scale 0.00035222046896703208) ***** [1] xi(22)=0.0003522206742377274 xi_scaled(22)=1.000000582790364 zeta(23)=2.252919923220163e-08 [2] xi(22)=0.0003522203016684487 xi_scaled(22)=0.9999995250174306 zeta(23)=-1.125371706326099e-08 Stats: nr=11 min=5 max=570 Emax=8.00369387757126 nrkept=638 nrkeptmult=638 Total energy=-2.970141214007602 Egs=-0.9543638040067047 Kept: 638 out of 2532, ratio=0.252 =-0.09753897367152889 =0.9185834940888756 Memory used: 186 MB Time elapsed: 50 s ***** [NRG] Iteration 24/30 (scale 0.0002490574820792943) ***** [1] xi(23)=0.0002490571280222779 xi_scaled(23)=0.9999985784124474 zeta(24)=1.152235955397774e-08 [2] xi(23)=0.0002490576361444896 xi_scaled(23)=1.000000618592921 zeta(24)=-5.755864148979239e-09 Stats: nr=12 min=1 max=586 Emax=8.002687672983271 nrkept=583 nrkeptmult=583 Total energy=-2.970492054030362 Egs=-1.408670881241049 Kept: 583 out of 2552, ratio=0.228 =-0.09955332643686333 =0.9164578447657228 Memory used: 186 MB Time elapsed: 50 s ***** [NRG] Iteration 25/30 (scale 0.00017611023448351604) ***** [1] xi(24)=0.0001761104156750733 xi_scaled(24)=1.000001028853081 zeta(25)=5.883102881317012e-09 [2] xi(24)=0.0001761101327884643 xi_scaled(24)=0.9999994225488822 zeta(25)=-2.938820735106983e-09 Stats: nr=11 min=5 max=523 Emax=8.003948962422482 nrkept=587 nrkeptmult=587 Total energy=-2.970659349229912 Egs=-0.9499459247261554 Kept: 587 out of 2332, ratio=0.252 =-0.1006655217848658 =0.9152837738808091 Memory used: 186 MB Time elapsed: 51 s ***** [NRG] Iteration 26/30 (scale 0.00012452874103964715) ***** [1] xi(25)=0.0001245284959237486 xi_scaled(25)=0.9999980316519987 zeta(26)=2.982387640604813e-09 [2] xi(25)=0.0001245288595526747 xi_scaled(25)=1.000000951692168 zeta(26)=-1.489875618024662e-09 Stats: nr=11 min=4 max=533 Emax=8.002909043553213 nrkept=555 nrkeptmult=555 Total energy=-2.97083526725614 Egs=-1.412670077272172 Kept: 555 out of 2348, ratio=0.236 =-0.1012386525654792 =0.9146787863626583 Memory used: 186 MB Time elapsed: 51 s ***** [NRG] Iteration 27/30 (scale 8.8055117241758019e-05) ***** [1] xi(26)=8.805515619850867e-05 xi_scaled(26)=1.000000442413251 zeta(27)=1.577555057222806e-09 [2] xi(26)=8.805509334516619e-05 xi_scaled(26)=0.9999997286177955 zeta(27)=-7.881023352967486e-10 Stats: nr=11 min=5 max=498 Emax=8.00052999520555 nrkept=575 nrkeptmult=575 Total energy=-2.970918714449283 Egs=-0.9476700021195483 Kept: 575 out of 2220, ratio=0.259 =-0.1015384746214817 =0.9143622841866876 Memory used: 186 MB Time elapsed: 51 s ***** [NRG] Iteration 28/30 (scale 6.2264370519823575e-05) ***** [1] xi(27)=6.226425092181443e-05 xi_scaled(27)=0.9999980791902632 zeta(28)=8.172096338770094e-10 [2] xi(27)=6.226442863355214e-05 xi_scaled(27)=1.00000093333841 zeta(28)=-4.082784752044318e-10 Stats: nr=11 min=4 max=521 Emax=8.000833642853397 nrkept=542 nrkeptmult=542 Total energy=-2.971006801769872 Egs=-1.414730765827794 Kept: 542 out of 2300, ratio=0.236 =-0.1016869782733544 =0.914205358770193 Memory used: 186 MB Time elapsed: 52 s ***** [NRG] Iteration 29/30 (scale 4.402755862087901e-05) ***** [1] xi(28)=4.402749836568276e-05 xi_scaled(28)=0.9999986314209069 zeta(29)=4.108944849886984e-10 [2] xi(28)=4.402758516537325e-05 xi_scaled(28)=1.00000060290634 zeta(29)=-2.052864079748621e-10 Stats: nr=11 min=5 max=485 Emax=8.000197261536153 nrkept=566 nrkeptmult=566 Total energy=-2.971048474503766 Egs=-0.9465147557357549 Kept: 566 out of 2168, ratio=0.261 =-0.1017643128322102 =0.9141236386116356 Memory used: 186 MB Time elapsed: 52 s ***** [NRG] Iteration 30/30 (scale 3.1132185259911788e-05) ***** [1] xi(29)=3.113213404592518e-05 xi_scaled(29)=0.9999983549504741 zeta(30)=2.049550062825923e-10 [2] xi(29)=3.113220947351525e-05 xi_scaled(29)=1.00000077776755 zeta(30)=-1.024003057032014e-10 Stats: nr=11 min=4 max=510 Emax=8.001334281430108 nrkept=2264 nrkeptmult=2264 Total energy=-2.971092550742181 Egs=-1.415777210847767 Kept: 2264 out of 2264, ratio=1 =-0.1018013216219836 =0.9140846772726582 Memory used: 186 MB Time elapsed: 52 s ** Iteration completed. Total energy: -2.971092550742181 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 0.2569852067918784 (-1) 4 states 0.0831434410624154 0.1671786267082565 0.2605667465679519 0.4371802284831526 (0) 6 states 0 0.1066623395696837 0.17076016648433 0.2633384627536897 0.3532009693842807 0.4573468566955022 (1) 4 states 0.02357401212965026 0.1839636631601466 0.3055011292131117 0.3733124839742484 (2) 1 states 0.2261263296195687 Number of states (multiplicity taken into account): 16 Computing the following operators: s=[] p=[] g=[] d=[A_d_d A_d_u self_d_d self_d_u ] v=[] t=[] q=[] ot=[] Computing the following spectra: Spectrum: A_d_d-A_d_d FDM Spectrum: A_d_u-A_d_u FDM Spectrum: self_d_d-A_d_d FDM Spectrum: self_d_u-A_d_u FDM ***** [DM] Iteration 1/30 (scale 0.72134752044448169) ***** [1] xi(0)=0.5415327242368502 xi_scaled(0)=0.7507237619714381 zeta(1)=0.02210697425548219 [2] xi(0)=0.5442630713922633 xi_scaled(0)=0.754508826836887 zeta(1)=-0.01125485712340422 Stats: nr=7 min=1 max=20 Emax=3.132736955045023 nrkept=64 nrkeptmult=64 Kept: 64 out of 64, ratio=1 Memory used: 151 MB Time elapsed: 64 s ***** [DM] Iteration 2/30 (scale 0.51006972329839473) ***** [1] xi(1)=0.4164315383883223 xi_scaled(1)=0.8164208134045756 zeta(2)=0.01322447328726291 [2] xi(1)=0.41581158627636 xi_scaled(1)=0.8152053871919526 zeta(2)=-0.006519487555013498 Stats: nr=9 min=1 max=70 Emax=5.959243109147814 nrkept=256 nrkeptmult=256 Kept: 256 out of 256, ratio=1 Memory used: 151 MB Time elapsed: 64 s ***** [DM] Iteration 3/30 (scale 0.36067376022224085) ***** [1] xi(2)=0.3223653030562365 xi_scaled(2)=0.8937864036951305 zeta(3)=0.009287724358676116 [2] xi(2)=0.3220631645118798 xi_scaled(2)=0.8929486977744934 zeta(3)=-0.004601612784608954 Stats: nr=11 min=1 max=252 Emax=8.015122291669234 nrkept=881 nrkeptmult=881 Kept: 881 out of 1024, ratio=0.86 Memory used: 151 MB Time elapsed: 64 s ***** [DM] Iteration 4/30 (scale 0.25503486164919736) ***** [1] xi(3)=0.2405081109411458 xi_scaled(3)=0.94304013728118 zeta(4)=0.005746025134785691 [2] xi(3)=0.2403395234664446 xi_scaled(3)=0.9423791003013292 zeta(4)=-0.002854201686883463 Stats: nr=13 min=1 max=784 Emax=8.182212228109398 nrkept=1697 nrkeptmult=1697 Kept: 1697 out of 3524, ratio=0.482 Memory used: 170 MB Time elapsed: 65 s ***** [DM] Iteration 5/30 (scale 0.18033688011112042) ***** [1] xi(4)=0.1750221053448496 xi_scaled(4)=0.9705286308435859 zeta(5)=0.003265225269092582 [2] xi(4)=0.1749425893424457 xi_scaled(4)=0.9700877005005809 zeta(5)=-0.001625193395517177 Stats: nr=13 min=4 max=1429 Emax=8.011062622466712 nrkept=1845 nrkeptmult=1845 Kept: 1845 out of 6788, ratio=0.272 Memory used: 414 MB Time elapsed: 69 s ***** [DM] Iteration 6/30 (scale 0.12751743082459868) ***** [1] xi(5)=0.1256081532649177 xi_scaled(5)=0.9850273209918479 zeta(6)=0.00177168417795235 [2] xi(5)=0.125574494727707 xi_scaled(5)=0.9847633685502638 zeta(6)=-0.0008830041714469234 Stats: nr=13 min=5 max=1548 Emax=8.001451341326643 nrkept=1985 nrkeptmult=1985 Kept: 1985 out of 7380, ratio=0.269 Memory used: 319 MB Time elapsed: 75 s ***** [DM] Iteration 7/30 (scale 0.090168440055560212) ***** [1] xi(6)=0.08948872072366504 xi_scaled(6)=0.9924616713843963 zeta(7)=0.0009382419361908475 [2] xi(6)=0.08947528210449801 xi_scaled(6)=0.9923126323286164 zeta(7)=-0.0004679997199420982 Stats: nr=13 min=4 max=1673 Emax=8.002825452137506 nrkept=1802 nrkeptmult=1802 Kept: 1802 out of 7940, ratio=0.227 Memory used: 470 MB Time elapsed: 81 s ***** [DM] Iteration 8/30 (scale 0.063758715412299341) ***** [1] xi(7)=0.06351779582610834 xi_scaled(7)=0.9962213858194431 zeta(8)=0.0004905664577727363 [2] xi(7)=0.06351259603947744 xi_scaled(7)=0.9961398316884154 zeta(8)=-0.0002448133759721562 Stats: nr=13 min=4 max=1514 Emax=8.000898021020159 nrkept=1732 nrkeptmult=1732 Kept: 1732 out of 7208, ratio=0.24 Memory used: 472 MB Time elapsed: 86 s ***** [DM] Iteration 9/30 (scale 0.045084220027780106) ***** [1] xi(8)=0.04499901564239941 xi_scaled(8)=0.9981101062560649 zeta(9)=0.0002547361815953344 [2] xi(8)=0.04499703673341851 xi_scaled(8)=0.9980662126502826 zeta(9)=-0.0001271592789455232 Stats: nr=13 min=3 max=1472 Emax=8.001164335538666 nrkept=1564 nrkeptmult=1564 Kept: 1564 out of 6928, ratio=0.226 Memory used: 424 MB Time elapsed: 91 s ***** [DM] Iteration 10/30 (scale 0.031879357706149671) ***** [1] xi(9)=0.03184925634821288 xi_scaled(9)=0.9990557727600961 zeta(10)=0.0001317616517582312 [2] xi(9)=0.0318485114828807 xi_scaled(9)=0.999032407630251 zeta(10)=-6.578373426552374e-05 Stats: nr=13 min=2 max=1339 Emax=8.003847932100143 nrkept=1474 nrkeptmult=1474 Kept: 1474 out of 6256, ratio=0.236 Memory used: 424 MB Time elapsed: 94 s ***** [DM] Iteration 11/30 (scale 0.022542110013890053) ***** [1] xi(10)=0.02253148211697311 xi_scaled(10)=0.9995285314058715 zeta(11)=6.799118897881236e-05 [2] xi(10)=0.02253120253656444 xi_scaled(10)=0.9995161288220625 zeta(11)=-3.394904513756363e-05 Stats: nr=13 min=2 max=1272 Emax=8.001595994134606 nrkept=1379 nrkeptmult=1379 Kept: 1379 out of 5896, ratio=0.234 Memory used: 424 MB Time elapsed: 98 s ***** [DM] Iteration 12/30 (scale 0.015939678853074835) ***** [1] xi(11)=0.01593592690472654 xi_scaled(11)=0.9997646158129735 zeta(12)=3.502843225658702e-05 [2] xi(11)=0.01593582334114207 xi_scaled(11)=0.9997581185939629 zeta(12)=-1.749149330814349e-05 Stats: nr=13 min=1 max=1191 Emax=8.000151557917958 nrkept=1240 nrkeptmult=1240 Kept: 1240 out of 5516, ratio=0.225 Memory used: 424 MB Time elapsed: 101 s ***** [DM] Iteration 13/30 (scale 0.011271055006945026) ***** [1] xi(12)=0.01126973123251025 xi_scaled(12)=0.999882550973803 zeta(13)=1.802489409536351e-05 [2] xi(12)=0.01126969210099879 xi_scaled(12)=0.9998790791150081 zeta(13)=-9.001227952766544e-06 Stats: nr=13 min=2 max=1085 Emax=8.000293833574666 nrkept=1189 nrkeptmult=1189 Kept: 1189 out of 4960, ratio=0.24 Memory used: 424 MB Time elapsed: 103 s ***** [DM] Iteration 14/30 (scale 0.0079698394265374176) ***** [1] xi(13)=0.007969371790572355 xi_scaled(13)=0.9999413242927448 zeta(14)=9.266300635846386e-06 [2] xi(13)=0.007969357992781083 xi_scaled(13)=0.9999395930418959 zeta(14)=-4.627583820663299e-06 Stats: nr=13 min=1 max=1044 Safeguard: keep additional 1 states Emax=8.001642897322515 nrkept=1070 nrkeptmult=1070 Kept: 1070 out of 4756, ratio=0.225 Memory used: 424 MB Time elapsed: 105 s ***** [DM] Iteration 15/30 (scale 0.0056355275034725132) ***** [1] xi(14)=0.005635362884881538 xi_scaled(14)=0.9999707891424763 zeta(15)=4.759701995850149e-06 [2] xi(14)=0.005635357160618368 xi_scaled(14)=0.9999697733967157 zeta(15)=-2.377075780266651e-06 Stats: nr=13 min=1 max=951 Emax=8.001101969193595 nrkept=1040 nrkeptmult=1040 Kept: 1040 out of 4280, ratio=0.243 Memory used: 424 MB Time elapsed: 107 s ***** [DM] Iteration 16/30 (scale 0.0039849197132687088) ***** [1] xi(15)=0.003984861148921199 xi_scaled(15)=0.9999853035062879 zeta(16)=2.443027340039196e-06 [2] xi(15)=0.003984859753108794 xi_scaled(15)=0.9999849532326298 zeta(16)=-1.220130739224683e-06 Stats: nr=13 min=1 max=920 Emax=8.004832047253515 nrkept=940 nrkeptmult=940 Kept: 940 out of 4160, ratio=0.226 Memory used: 424 MB Time elapsed: 108 s ***** [DM] Iteration 17/30 (scale 0.0028177637517362566) ***** [1] xi(16)=0.002817743487996776 xi_scaled(16)=0.9999928085740091 zeta(17)=1.253077327724386e-06 [2] xi(16)=0.002817742358858706 xi_scaled(16)=0.999992407852668 zeta(17)=-6.258466184906997e-07 Stats: nr=13 min=1 max=837 Emax=8.001649647190952 nrkept=937 nrkeptmult=937 Kept: 937 out of 3760, ratio=0.249 Memory used: 424 MB Time elapsed: 109 s ***** [DM] Iteration 18/30 (scale 0.0019924598566343544) ***** [1] xi(17)=0.001992452231573183 xi_scaled(17)=0.9999961730415067 zeta(18)=6.423158565873491e-07 [2] xi(17)=0.00199245253417022 xi_scaled(17)=0.9999963249125897 zeta(18)=-3.208130802417996e-07 Stats: nr=13 min=1 max=835 Emax=8.000069812151821 nrkept=821 nrkeptmult=821 Kept: 821 out of 3748, ratio=0.219 Memory used: 424 MB Time elapsed: 110 s ***** [DM] Iteration 19/30 (scale 0.0014088818758681283) ***** [1] xi(18)=0.001408879585361896 xi_scaled(18)=0.9999983742382724 zeta(19)=3.290412765532999e-07 [2] xi(18)=0.001408879085180296 xi_scaled(18)=0.9999980192180197 zeta(19)=-1.643475746666812e-07 Stats: nr=12 min=1 max=738 Emax=8.00193620582117 nrkept=821 nrkeptmult=821 Kept: 821 out of 3284, ratio=0.25 Memory used: 424 MB Time elapsed: 111 s ***** [DM] Iteration 20/30 (scale 0.0009962299283171772) ***** [1] xi(19)=0.0009962286475779854 xi_scaled(19)=0.9999987144140571 zeta(20)=1.684683416192954e-07 [2] xi(19)=0.0009962291783775323 xi_scaled(19)=0.9999992472223294 zeta(20)=-8.414816224348311e-08 Stats: nr=12 min=1 max=741 Emax=8.003662688077979 nrkept=718 nrkeptmult=718 Kept: 718 out of 3284, ratio=0.219 Memory used: 424 MB Time elapsed: 112 s ***** [DM] Iteration 21/30 (scale 0.00070444093793406415) ***** [1] xi(20)=0.000704440881035897 xi_scaled(20)=0.9999999192293291 zeta(21)=8.619874932329701e-08 [2] xi(20)=0.0007044404723377786 xi_scaled(20)=0.9999993390556106 zeta(21)=-4.30560183751447e-08 Stats: nr=11 min=6 max=648 Emax=8.003593333271439 nrkept=725 nrkeptmult=725 Kept: 725 out of 2872, ratio=0.252 Memory used: 424 MB Time elapsed: 113 s ***** [DM] Iteration 22/30 (scale 0.0004981149641585886) ***** [1] xi(21)=0.000498114481127572 xi_scaled(21)=0.9999990302820607 zeta(22)=4.409472809203903e-08 [2] xi(21)=0.0004981150310547584 xi_scaled(21)=1.000000134298655 zeta(22)=-2.202594827417978e-08 Stats: nr=12 min=1 max=655 Emax=8.005478687131026 nrkept=633 nrkeptmult=633 Kept: 633 out of 2900, ratio=0.218 Memory used: 424 MB Time elapsed: 113 s ***** [DM] Iteration 23/30 (scale 0.00035222046896703208) ***** [1] xi(22)=0.0003522206742377274 xi_scaled(22)=1.000000582790364 zeta(23)=2.252919923220163e-08 [2] xi(22)=0.0003522203016684487 xi_scaled(22)=0.9999995250174306 zeta(23)=-1.125371706326099e-08 Stats: nr=11 min=5 max=570 Emax=8.00369387757126 nrkept=638 nrkeptmult=638 Kept: 638 out of 2532, ratio=0.252 Memory used: 424 MB Time elapsed: 114 s ***** [DM] Iteration 24/30 (scale 0.0002490574820792943) ***** [1] xi(23)=0.0002490571280222779 xi_scaled(23)=0.9999985784124474 zeta(24)=1.152235955397774e-08 [2] xi(23)=0.0002490576361444896 xi_scaled(23)=1.000000618592921 zeta(24)=-5.755864148979239e-09 Stats: nr=12 min=1 max=586 Emax=8.002687672983271 nrkept=583 nrkeptmult=583 Kept: 583 out of 2552, ratio=0.228 Memory used: 424 MB Time elapsed: 114 s ***** [DM] Iteration 25/30 (scale 0.00017611023448351604) ***** [1] xi(24)=0.0001761104156750733 xi_scaled(24)=1.000001028853081 zeta(25)=5.883102881317012e-09 [2] xi(24)=0.0001761101327884643 xi_scaled(24)=0.9999994225488822 zeta(25)=-2.938820735106983e-09 Stats: nr=11 min=5 max=523 Emax=8.003948962422482 nrkept=587 nrkeptmult=587 Kept: 587 out of 2332, ratio=0.252 Memory used: 424 MB Time elapsed: 114 s ***** [DM] Iteration 26/30 (scale 0.00012452874103964715) ***** [1] xi(25)=0.0001245284959237486 xi_scaled(25)=0.9999980316519987 zeta(26)=2.982387640604813e-09 [2] xi(25)=0.0001245288595526747 xi_scaled(25)=1.000000951692168 zeta(26)=-1.489875618024662e-09 Stats: nr=11 min=4 max=533 Emax=8.002909043553213 nrkept=555 nrkeptmult=555 Kept: 555 out of 2348, ratio=0.236 Memory used: 424 MB Time elapsed: 115 s ***** [DM] Iteration 27/30 (scale 8.8055117241758019e-05) ***** [1] xi(26)=8.805515619850867e-05 xi_scaled(26)=1.000000442413251 zeta(27)=1.577555057222806e-09 [2] xi(26)=8.805509334516619e-05 xi_scaled(26)=0.9999997286177955 zeta(27)=-7.881023352967486e-10 Stats: nr=11 min=5 max=498 Emax=8.00052999520555 nrkept=575 nrkeptmult=575 Kept: 575 out of 2220, ratio=0.259 Memory used: 424 MB Time elapsed: 115 s ***** [DM] Iteration 28/30 (scale 6.2264370519823575e-05) ***** [1] xi(27)=6.226425092181443e-05 xi_scaled(27)=0.9999980791902632 zeta(28)=8.172096338770094e-10 [2] xi(27)=6.226442863355214e-05 xi_scaled(27)=1.00000093333841 zeta(28)=-4.082784752044318e-10 Stats: nr=11 min=4 max=521 Emax=8.000833642853397 nrkept=542 nrkeptmult=542 Kept: 542 out of 2300, ratio=0.236 Memory used: 424 MB Time elapsed: 115 s ***** [DM] Iteration 29/30 (scale 4.402755862087901e-05) ***** [1] xi(28)=4.402749836568276e-05 xi_scaled(28)=0.9999986314209069 zeta(29)=4.108944849886984e-10 [2] xi(28)=4.402758516537325e-05 xi_scaled(28)=1.00000060290634 zeta(29)=-2.052864079748621e-10 Stats: nr=11 min=5 max=485 Emax=8.000197261536153 nrkept=566 nrkeptmult=566 Kept: 566 out of 2168, ratio=0.261 Memory used: 424 MB Time elapsed: 116 s ***** [DM] Iteration 30/30 (scale 3.1132185259911788e-05) ***** [1] xi(29)=3.113213404592518e-05 xi_scaled(29)=0.9999983549504741 zeta(30)=2.049550062825923e-10 [2] xi(29)=3.113220947351525e-05 xi_scaled(29)=1.00000077776755 zeta(30)=-1.024003057032014e-10 Stats: nr=11 min=4 max=510 Emax=8.001334281430108 nrkept=2264 nrkeptmult=2264 Kept: 2264 out of 2264, ratio=1 Memory used: 424 MB Time elapsed: 116 s ** Iteration completed. Spectrum: A_d_d-A_d_d FDM [A_d_d-A_d_d] pos=0.4413662379865848 neg=0.5586337620130958 sum= 0.9999999999996806 mu1=-0.00733995326616222 mu2=0.03257622693015531 mu3=0.0005369275291758173 mu4=0.0105711022191636 f=0.4413662379865848 b=0.4413662379865848 Spectrum: A_d_u-A_d_u FDM [A_d_u-A_d_u] pos=0.6441127317471623 neg=0.3558872682524079 sum= 0.9999999999995702 mu1=0.002985994950865053 mu2=0.002574919456091291 mu3=-4.781255011949395e-05 mu4=0.0006574968500756677 f=0.6441127317471623 b=0.6441127317471623 Spectrum: self_d_d-A_d_d FDM [self_d_d-A_d_d] pos=-0.0005384871794637999 neg=-0.006667149407887231 sum= -0.00720563658735103 mu1=0.0006327857744568718 mu2=-0.0002360846529544514 mu3=3.873522771467339e-05 mu4=-7.52131741598385e-05 f=-0.0005384871794637999 b=-0.0005384871794637999 Spectrum: self_d_u-A_d_u FDM [self_d_u-A_d_u] pos=0.004530175164503263 neg=-0.001598487063808672 sum= 0.002931688100694591 mu1=0.0006329023189621733 mu2=4.389027774955743e-05 mu3=5.934183580511781e-05 mu4=1.17265415161863e-05 f=0.004530175164503263 b=0.004530175164503263 Memory usage report =================== after diag: 483792 kB after recalc: 540740 kB after split: 483792 kB after trim: 483792 kB after trunc: 483792 kB diag_h: 232780 kB Peak usage: 540740 kB Timing report ============= All: 116 s DM: 1 s FDM: 9 s diag: 44 s recalc d: 29 s recalc s: 1 s spec d: 23 s Other: 4 s