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=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 0.2569852067091287 (-1 0) 2 states 0.08314344102966024 0.4371802283659367 (-1 2) 2 states 0.1671786266491695 0.2605667465236456 (0 -1) 1 states 0.2633384626864682 (0 1) 4 states 0 0.1066623395677884 0.3532009692980043 0.4573468566079437 (0 3) 1 states 0.1707601664636863 (1 0) 2 states 0.1839636631308223 0.305501129170099 (1 2) 2 states 0.02357401216060816 0.3733124839175313 (2 1) 1 states 0.2261263296144531 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) =-1.107784973092123e-05 =1.000016964171234 ***** [NRG] Iteration 1/30 (scale 0.72134752044448169) ***** [1] xi(0)=0.5415327239680591 xi_scaled(0)=0.7507237615988145 zeta(1)=0.02210697412846793 [2] xi(0)=0.544263071528729 xi_scaled(0)=0.7545088270260687 zeta(1)=-0.01125485715510484 Stats: nr=16 min=1 max=9 Emax=3.132736954616958 nrkept=64 nrkeptmult=64 Total energy=-1.142466856699868 Egs=-1.242183917805538 Kept: 64 out of 64, ratio=1 =-2.862304808736762e-05 =1.000043332705288 Memory used: 46 MB Time elapsed: 0 s ***** [NRG] Iteration 2/30 (scale 0.51006972329839473) ***** [1] xi(1)=0.4164315387431904 xi_scaled(1)=0.8164208141003004 zeta(2)=0.01322447339185594 [2] xi(1)=0.4158115860970589 xi_scaled(1)=0.81520538684043 zeta(2)=-0.006519487528925797 Stats: nr=25 min=1 max=36 Emax=5.959243108977093 nrkept=256 nrkeptmult=256 Total energy=-1.532450215093383 Egs=-0.7645687257649105 Kept: 256 out of 256, ratio=1 =-7.467999238051374e-05 =1.000111180905234 Memory used: 54 MB Time elapsed: 0 s ***** [NRG] Iteration 3/30 (scale 0.36067376022224085) ***** [1] xi(2)=0.3223653027808487 xi_scaled(2)=0.8937864029315935 zeta(3)=0.009287724276717844 [2] xi(2)=0.322063164650839 xi_scaled(2)=0.89294869815977 zeta(3)=-0.004601612805070116 Stats: nr=36 min=1 max=100 Emax=8.015122291629531 nrkept=881 nrkeptmult=881 Total energy=-1.988182201463594 Egs=-1.263557365773982 Kept: 881 out of 1024, ratio=0.86 =-0.0001868672025607187 =1.000263807561999 Memory used: 69 MB Time elapsed: 0 s ***** [NRG] Iteration 4/30 (scale 0.25503486164919736) ***** [1] xi(3)=0.2405081113127439 xi_scaled(3)=0.9430401387382283 zeta(4)=0.005746025199015566 [2] xi(3)=0.2403395232799271 xi_scaled(3)=0.9423790995699881 zeta(4)=-0.002854201670847345 Stats: nr=49 min=1 max=333 Emax=8.182212228093269 nrkept=1697 nrkeptmult=1697 Total energy=-2.238584981733443 Egs=-0.9818374580267374 Kept: 1697 out of 3524, ratio=0.482 =-0.000403908354537822 =1.000565760735191 Memory used: 78 MB Time elapsed: 0 s ***** [NRG] Iteration 5/30 (scale 0.18033688011112042) ***** [1] xi(4)=0.1750221050741059 xi_scaled(4)=0.970528629342264 zeta(5)=0.003265225222659758 [2] xi(4)=0.1749425894782515 xi_scaled(4)=0.9700877012536481 zeta(5)=-0.001625193407123878 Stats: nr=60 min=2 max=515 Emax=8.011062622469302 nrkept=1845 nrkeptmult=1845 Total energy=-2.467773591517568 Egs=-1.270891509506559 Kept: 1845 out of 6788, ratio=0.272 =-0.0008210456476794543 =1.001088089792376 Memory used: 97 MB Time elapsed: 1 s ***** [NRG] Iteration 6/30 (scale 0.12751743082459868) ***** [1] xi(5)=0.1256081536431105 xi_scaled(5)=0.9850273239576601 zeta(6)=0.001771684213713588 [2] xi(5)=0.1255744945383941 xi_scaled(5)=0.9847633670656595 zeta(6)=-0.0008830041624962789 Stats: nr=69 min=1 max=631 Emax=8.001451339743328 nrkept=1985 nrkeptmult=1985 Total energy=-2.605571010587989 Egs=-1.080616337541825 Kept: 1985 out of 7380, ratio=0.269 =-0.001479061440941227 =1.00183719983338 Memory used: 94 MB Time elapsed: 1 s ***** [NRG] Iteration 7/30 (scale 0.090168440055560212) ***** [1] xi(6)=0.08948872045411604 xi_scaled(6)=0.9924616683950024 zeta(7)=0.0009382419111165978 [2] xi(6)=0.08947528223940199 xi_scaled(6)=0.9923126338247494 zeta(7)=-0.0004679997262354719 Stats: nr=60 min=2 max=604 Emax=8.002825453065835 nrkept=1802 nrkeptmult=1802 Total energy=-2.716813764325219 Egs=-1.233721617770963 Kept: 1802 out of 7940, ratio=0.227 =-0.002492886199810089 =1.002775739627876 Memory used: 94 MB Time elapsed: 2 s ***** [NRG] Iteration 8/30 (scale 0.063758715412299341) ***** [1] xi(7)=0.06351779620615662 xi_scaled(7)=0.9962213917801699 zeta(8)=0.0004905664769554706 [2] xi(7)=0.06351259584939169 xi_scaled(7)=0.9961398287070856 zeta(8)=-0.0002448133711327895 Stats: nr=68 min=1 max=615 Emax=8.000898020125117 nrkept=1732 nrkeptmult=1732 Total energy=-2.789690821891176 Egs=-1.143013266416884 Kept: 1732 out of 7208, ratio=0.24 =-0.003873927727188838 =1.003755984739819 Memory used: 95 MB Time elapsed: 3 s ***** [NRG] Iteration 9/30 (scale 0.045084220027780106) ***** [1] xi(8)=0.04499901537312374 xi_scaled(8)=0.9981101002833395 zeta(9)=0.0002547361683066629 [2] xi(8)=0.0449970368680929 xi_scaled(8)=0.9980662156374562 zeta(9)=-0.000127159282330586 Stats: nr=60 min=1 max=529 Emax=8.001164323367117 nrkept=1564 nrkeptmult=1564 Total energy=-2.843052816894595 Egs=-1.183606924341559 Kept: 1564 out of 6928, ratio=0.226 =-0.005767057755787073 =1.004444716344773 Memory used: 94 MB Time elapsed: 4 s ***** [NRG] Iteration 10/30 (scale 0.031879357706149671) ***** [1] xi(9)=0.0318492567287473 xi_scaled(9)=0.9990557846967988 zeta(10)=0.000131761661853641 [2] xi(9)=0.03184851129259662 xi_scaled(9)=0.9990324016613702 zeta(10)=-6.578373164404831e-05 Stats: nr=66 min=1 max=547 Emax=8.003847934060317 nrkept=1474 nrkeptmult=1474 Total energy=-2.881154931171514 Egs=-1.19519704970621 Kept: 1474 out of 6256, ratio=0.236 =-0.0081983415349657 =1.004563993498449 Memory used: 100 MB Time elapsed: 4 s ***** [NRG] Iteration 11/30 (scale 0.022542110013890053) ***** [1] xi(10)=0.02253148184776144 xi_scaled(10)=0.9995285194632593 zeta(11)=6.799118207707658e-05 [2] xi(10)=0.02253120267118007 xi_scaled(10)=0.9995161347938033 zeta(11)=-3.394904699527403e-05 Stats: nr=60 min=1 max=462 Emax=8.001595969079499 nrkept=1379 nrkeptmult=1379 Total energy=-2.906658259626559 Egs=-1.131363853664557 Kept: 1379 out of 5896, ratio=0.234 =-0.01125332795757906 =1.003716306684875 Memory used: 100 MB Time elapsed: 5 s ***** [NRG] Iteration 12/30 (scale 0.015939678853074835) ***** [1] xi(11)=0.01593592728537936 xi_scaled(11)=0.999764639693807 zeta(12)=3.502843739521204e-05 [2] xi(11)=0.01593582315081149 xi_scaled(11)=0.9997581066532842 zeta(12)=-1.749149182332173e-05 Stats: nr=61 min=1 max=490 Emax=8.000151567530787 nrkept=1240 nrkeptmult=1240 Total energy=-2.926494787464344 Egs=-1.244474748872281 Kept: 1240 out of 5516, ratio=0.225 =-0.0151045194406517 =1.001564949455444 Memory used: 100 MB Time elapsed: 5 s ***** [NRG] Iteration 13/30 (scale 0.011271055006945026) ***** [1] xi(12)=0.01126973096332789 xi_scaled(12)=0.9998825270911803 zeta(13)=1.802489071994417e-05 [2] xi(12)=0.01126969223559219 xi_scaled(12)=0.9998790910565163 zeta(13)=-9.001229064404332e-06 Stats: nr=60 min=1 max=391 Emax=8.000293823195417 nrkept=1189 nrkeptmult=1189 Total energy=-2.938680361639564 Egs=-1.081138737031431 Kept: 1189 out of 4960, ratio=0.24 =-0.01984571196007937 =0.9979264719674816 Memory used: 100 MB Time elapsed: 5 s ***** [NRG] Iteration 14/30 (scale 0.0079698394265374176) ***** [1] xi(13)=0.007969372171225574 xi_scaled(13)=0.9999413720544623 zeta(14)=9.266302946716484e-06 [2] xi(13)=0.007969357802453902 xi_scaled(13)=0.9999395691609655 zeta(14)=-4.627582840429299e-06 Stats: nr=58 min=1 max=432 Safeguard: keep additional 1 states Emax=8.0016428587824 nrkept=1070 nrkeptmult=1070 Total energy=-2.948972423540972 Egs=-1.291376318967958 Kept: 1070 out of 4756, ratio=0.225 =-0.02574064645111065 =0.9926061763887462 Memory used: 100 MB Time elapsed: 6 s ***** [NRG] Iteration 15/30 (scale 0.0056355275034725132) ***** [1] xi(14)=0.005635362615768231 xi_scaled(14)=0.9999707413894829 zeta(15)=4.759700749219437e-06 [2] xi(14)=0.005635357295175078 xi_scaled(14)=0.9999697972732223 zeta(15)=-2.377076628637242e-06 Stats: nr=58 min=1 max=350 Emax=8.001101934770553 nrkept=1040 nrkeptmult=1040 Total energy=-2.954814863269287 Egs=-1.036715680069951 Kept: 1040 out of 4280, ratio=0.243 =-0.03289111489863589 =0.9856733888663093 Memory used: 100 MB Time elapsed: 6 s ***** [NRG] Iteration 16/30 (scale 0.0039849197132687088) ***** [1] xi(15)=0.003984861529453632 xi_scaled(15)=0.999985398999412 zeta(16)=2.443027762642409e-06 [2] xi(15)=0.003984859562843065 xi_scaled(15)=0.99998490548619 zeta(16)=-1.220129828885497e-06 Stats: nr=55 min=1 max=380 Emax=8.004832050427691 nrkept=940 nrkeptmult=940 Total energy=-2.960126310058702 Egs=-1.332886776044472 Kept: 940 out of 4160, ratio=0.226 =-0.04143400975115542 =0.977074459267346 Memory used: 100 MB Time elapsed: 6 s ***** [NRG] Iteration 17/30 (scale 0.0028177637517362566) ***** [1] xi(16)=0.002817743219149807 xi_scaled(16)=0.9999927131625437 zeta(17)=1.253077726059027e-06 [2] xi(16)=0.002817742493281586 xi_scaled(16)=0.9999924555581859 zeta(17)=-6.258475888996304e-07 Stats: nr=58 min=1 max=310 Emax=8.001649608833674 nrkept=937 nrkeptmult=937 Total energy=-2.962948887734213 Egs=-1.001708419938052 Kept: 937 out of 3760, ratio=0.249 =-0.05112202411046896 =0.9671371730217831 Memory used: 100 MB Time elapsed: 6 s ***** [NRG] Iteration 18/30 (scale 0.0019924598566343544) ***** [1] xi(17)=0.001992452611591127 xi_scaled(17)=0.9999963637695368 zeta(18)=6.423145085354871e-07 [2] xi(17)=0.00199245234416211 xi_scaled(17)=0.9999962295490075 zeta(18)=-3.208118193273756e-07 Stats: nr=55 min=1 max=348 Emax=8.000069981159347 nrkept=821 nrkeptmult=821 Total energy=-2.96566938857209 Egs=-1.365398067528722 Kept: 821 out of 3748, ratio=0.219 =-0.06162921104930771 =0.9562457511931971 Memory used: 100 MB Time elapsed: 7 s ***** [NRG] Iteration 19/30 (scale 0.0014088818758681283) ***** [1] xi(18)=0.001408879317576819 xi_scaled(18)=0.9999981841690539 zeta(19)=3.290435485817222e-07 [2] xi(18)=0.001408879219071966 xi_scaled(18)=0.9999981142520121 zeta(19)=-1.643491127805991e-07 Stats: nr=56 min=1 max=278 Emax=8.001936193371268 nrkept=821 nrkeptmult=821 Total energy=-2.967046595337263 Egs=-0.9775175539997869 Kept: 821 out of 3284, ratio=0.25 =-0.07191715918662926 =0.945506612525238 Memory used: 100 MB Time elapsed: 7 s ***** [NRG] Iteration 20/30 (scale 0.0009962299283171772) ***** [1] xi(19)=0.0009962290255367697 xi_scaled(19)=0.9999990938031654 zeta(20)=1.6846461364248e-07 [2] xi(19)=0.0009962289893992371 xi_scaled(19)=0.9999990575288762 zeta(20)=-8.414599348693996e-08 Stats: nr=51 min=1 max=311 Emax=8.003663302755244 nrkept=718 nrkeptmult=718 Total energy=-2.968428989039805 Egs=-1.387625148821994 Kept: 718 out of 3284, ratio=0.219 =-0.08121950506150755 =0.9357552910788892 Memory used: 100 MB Time elapsed: 7 s ***** [NRG] Iteration 21/30 (scale 0.00070444093793406415) ***** [1] xi(20)=0.0007044406174694965 xi_scaled(20)=0.9999995450795796 zeta(21)=8.620372883328926e-08 [2] xi(20)=0.0007044406041199255 xi_scaled(20)=0.9999995261289901 zeta(21)=-4.305871490392935e-08 Stats: nr=54 min=1 max=245 Emax=8.003593016191354 nrkept=725 nrkeptmult=725 Total energy=-2.969107143827917 Egs=-0.9626850905354492 Kept: 725 out of 2872, ratio=0.252 =-0.08868515328739363 =0.9279134853830991 Memory used: 100 MB Time elapsed: 7 s ***** [NRG] Iteration 22/30 (scale 0.0004981149641585886) ***** [1] xi(21)=0.0004981148509632866 xi_scaled(21)=0.9999997727526573 zeta(22)=4.408765621817963e-08 [2] xi(21)=0.0004981148461382477 xi_scaled(21)=0.9999997630660603 zeta(22)=-2.202225783572433e-08 Stats: nr=50 min=1 max=279 Emax=8.005478279016668 nrkept=633 nrkeptmult=633 Total energy=-2.969805067567525 Egs=-1.401129839147417 Kept: 633 out of 2900, ratio=0.218 =-0.09407247900283354 =0.9222371111721709 Memory used: 100 MB Time elapsed: 7 s ***** [NRG] Iteration 23/30 (scale 0.00035222046896703208) ***** [1] xi(22)=0.0003522204270901443 xi_scaled(22)=0.999999881106036 zeta(23)=2.253682876727027e-08 [2] xi(22)=0.0003522204252410301 xi_scaled(22)=0.9999998758561588 zeta(23)=-1.12576330340885e-08 Stats: nr=53 min=1 max=222 Emax=8.003693717547792 nrkept=638 nrkeptmult=638 Total energy=-2.970141213795544 Egs=-0.9543631266073279 Kept: 638 out of 2532, ratio=0.252 =-0.09753894816656597 =0.9185835246355917 Memory used: 100 MB Time elapsed: 7 s ***** [NRG] Iteration 24/30 (scale 0.0002490574820792943) ***** [1] xi(23)=0.0002490574671753122 xi_scaled(23)=0.9999999401584648 zeta(24)=1.151501805527817e-08 [2] xi(23)=0.0002490574665695402 xi_scaled(23)=0.9999999377262069 zeta(24)=-5.752121894348414e-09 Stats: nr=47 min=1 max=249 Emax=8.002687219686948 nrkept=583 nrkeptmult=583 Total energy=-2.970492054089932 Egs=-1.408671971864318 Kept: 583 out of 2552, ratio=0.228 =-0.09955329141905689 =0.9164578858450692 Memory used: 100 MB Time elapsed: 7 s ***** [NRG] Iteration 25/30 (scale 0.00017611023448351604) ***** [1] xi(24)=0.0001761102272850995 xi_scaled(24)=0.9999999591255071 zeta(25)=5.880925916622163e-09 [2] xi(24)=0.0001761102269823558 xi_scaled(24)=0.9999999574064491 zeta(25)=-2.937772999204605e-09 Stats: nr=53 min=1 max=208 Emax=8.003947800532297 nrkept=587 nrkeptmult=587 Total energy=-2.970659349080507 Egs=-0.9499447381076395 Kept: 587 out of 2332, ratio=0.252 =-0.1006654766714511 =0.9152838260967446 Memory used: 100 MB Time elapsed: 7 s ***** [NRG] Iteration 26/30 (scale 0.00012452874103964715) ***** [1] xi(25)=0.000124528738370251 xi_scaled(25)=0.9999999785640152 zeta(26)=3.002271310143775e-09 [2] xi(25)=0.0001245287383306754 xi_scaled(25)=0.9999999782462129 zeta(26)=-1.499794090850391e-09 Stats: nr=46 min=1 max=218 Emax=8.002908334793613 nrkept=555 nrkeptmult=555 Total energy=-2.970835267324889 Egs=-1.412671829116263 Kept: 555 out of 2348, ratio=0.236 =-0.1012385971522677 =0.9146788499131614 Memory used: 100 MB Time elapsed: 7 s ***** [NRG] Iteration 27/30 (scale 8.8055117241758019e-05) ***** [1] xi(26)=8.805511435994757e-05 xi_scaled(26)=0.9999999672726523 zeta(27)=1.53216222054203e-09 [2] xi(26)=8.805511426433593e-05 xi_scaled(26)=0.9999999661868364 zeta(27)=-7.654140051227814e-10 Stats: nr=52 min=1 max=201 Emax=8.000527110190701 nrkept=575 nrkeptmult=575 Total energy=-2.970918714380006 Egs=-0.9476684346219038 Kept: 575 out of 2220, ratio=0.259 =-0.1015384090647538 =0.9143623588890947 Memory used: 100 MB Time elapsed: 7 s ***** [NRG] Iteration 28/30 (scale 6.2264370519823575e-05) ***** [1] xi(27)=6.226436937271958e-05 xi_scaled(27)=0.9999999815768796 zeta(28)=7.816846689263562e-10 [2] xi(27)=6.226436940883905e-05 xi_scaled(27)=0.9999999821569781 zeta(28)=-3.905120712585741e-10 Stats: nr=46 min=1 max=212 Emax=8.000835975050286 nrkept=542 nrkeptmult=542 Total energy=-2.971006801847567 Egs=-1.414733126274082 Kept: 542 out of 2300, ratio=0.236 =-0.1016869030579508 =0.9142054440830282 Memory used: 100 MB Time elapsed: 8 s ***** [NRG] Iteration 29/30 (scale 4.402755862087901e-05) ***** [1] xi(28)=4.40275562772398e-05 xi_scaled(28)=0.9999999467688129 zeta(29)=3.987800018918817e-10 [2] xi(28)=4.402755620930256e-05 xi_scaled(28)=0.9999999452257512 zeta(29)=-1.992287094278228e-10 Stats: nr=51 min=1 max=196 Emax=8.000193941381982 nrkept=566 nrkeptmult=566 Total energy=-2.971048474522985 Egs=-0.9465134275869055 Kept: 566 out of 2168, ratio=0.261 =-0.101764228875599 =0.9141237335133768 Memory used: 100 MB Time elapsed: 8 s ***** [NRG] Iteration 30/30 (scale 3.1132185259911788e-05) ***** [1] xi(29)=3.113218430043151e-05 xi_scaled(29)=0.9999999691804392 zeta(30)=2.034299370869816e-10 [2] xi(29)=3.113218434659352e-05 xi_scaled(29)=0.9999999706632136 zeta(30)=-1.016373758929752e-10 Stats: nr=46 min=1 max=209 Emax=8.001334121065778 nrkept=2264 nrkeptmult=2264 Total energy=-2.971092550835098 Egs=-1.415779578125481 Kept: 2264 out of 2264, ratio=1 =-0.1018012304343427 =0.9140847800944254 Memory used: 100 MB Time elapsed: 8 s ** Iteration completed. Total energy: -2.971092550835098 TKW=0.004115620844573696 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 0.2569852067091287 (-1 0) 2 states 0.08314344102966024 0.4371802283659367 (-1 2) 2 states 0.1671786266491695 0.2605667465236456 (0 -1) 1 states 0.2633384626864682 (0 1) 4 states 0 0.1066623395677884 0.3532009692980043 0.4573468566079437 (0 3) 1 states 0.1707601664636863 (1 0) 2 states 0.1839636631308223 0.305501129170099 (1 2) 2 states 0.02357401216060816 0.3733124839175313 (2 1) 1 states 0.2261263296144531 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 0.72134752044448169) ***** [1] xi(0)=0.5415327239680591 xi_scaled(0)=0.7507237615988145 zeta(1)=0.02210697412846793 [2] xi(0)=0.544263071528729 xi_scaled(0)=0.7545088270260687 zeta(1)=-0.01125485715510484 Stats: nr=16 min=1 max=9 Emax=3.132736954616958 nrkept=64 nrkeptmult=64 Kept: 64 out of 64, ratio=1 Memory used: 94 MB Time elapsed: 11 s ***** [DM] Iteration 2/30 (scale 0.51006972329839473) ***** [1] xi(1)=0.4164315387431904 xi_scaled(1)=0.8164208141003004 zeta(2)=0.01322447339185594 [2] xi(1)=0.4158115860970589 xi_scaled(1)=0.81520538684043 zeta(2)=-0.006519487528925797 Stats: nr=25 min=1 max=36 Emax=5.959243108977093 nrkept=256 nrkeptmult=256 Kept: 256 out of 256, ratio=1 Memory used: 94 MB Time elapsed: 11 s ***** [DM] Iteration 3/30 (scale 0.36067376022224085) ***** [1] xi(2)=0.3223653027808487 xi_scaled(2)=0.8937864029315935 zeta(3)=0.009287724276717844 [2] xi(2)=0.322063164650839 xi_scaled(2)=0.89294869815977 zeta(3)=-0.004601612805070116 Stats: nr=36 min=1 max=100 Emax=8.015122291629531 nrkept=881 nrkeptmult=881 Kept: 881 out of 1024, ratio=0.86 Memory used: 94 MB Time elapsed: 11 s ***** [DM] Iteration 4/30 (scale 0.25503486164919736) ***** [1] xi(3)=0.2405081113127439 xi_scaled(3)=0.9430401387382283 zeta(4)=0.005746025199015566 [2] xi(3)=0.2403395232799271 xi_scaled(3)=0.9423790995699881 zeta(4)=-0.002854201670847345 Stats: nr=49 min=1 max=333 Emax=8.182212228093269 nrkept=1697 nrkeptmult=1697 Kept: 1697 out of 3524, ratio=0.482 Memory used: 98 MB Time elapsed: 11 s ***** [DM] Iteration 5/30 (scale 0.18033688011112042) ***** [1] xi(4)=0.1750221050741059 xi_scaled(4)=0.970528629342264 zeta(5)=0.003265225222659758 [2] xi(4)=0.1749425894782515 xi_scaled(4)=0.9700877012536481 zeta(5)=-0.001625193407123878 Stats: nr=60 min=2 max=515 Emax=8.011062622469302 nrkept=1845 nrkeptmult=1845 Kept: 1845 out of 6788, ratio=0.272 Memory used: 134 MB Time elapsed: 12 s ***** [DM] Iteration 6/30 (scale 0.12751743082459868) ***** [1] xi(5)=0.1256081536431105 xi_scaled(5)=0.9850273239576601 zeta(6)=0.001771684213713588 [2] xi(5)=0.1255744945383941 xi_scaled(5)=0.9847633670656595 zeta(6)=-0.0008830041624962789 Stats: nr=69 min=1 max=631 Emax=8.001451339743328 nrkept=1985 nrkeptmult=1985 Kept: 1985 out of 7380, ratio=0.269 Memory used: 151 MB Time elapsed: 13 s ***** [DM] Iteration 7/30 (scale 0.090168440055560212) ***** [1] xi(6)=0.08948872045411604 xi_scaled(6)=0.9924616683950024 zeta(7)=0.0009382419111165978 [2] xi(6)=0.08947528223940199 xi_scaled(6)=0.9923126338247494 zeta(7)=-0.0004679997262354719 Stats: nr=60 min=2 max=604 Emax=8.002825453065835 nrkept=1802 nrkeptmult=1802 Kept: 1802 out of 7940, ratio=0.227 Memory used: 161 MB Time elapsed: 14 s ***** [DM] Iteration 8/30 (scale 0.063758715412299341) ***** [1] xi(7)=0.06351779620615662 xi_scaled(7)=0.9962213917801699 zeta(8)=0.0004905664769554706 [2] xi(7)=0.06351259584939169 xi_scaled(7)=0.9961398287070856 zeta(8)=-0.0002448133711327895 Stats: nr=68 min=1 max=615 Emax=8.000898020125117 nrkept=1732 nrkeptmult=1732 Kept: 1732 out of 7208, ratio=0.24 Memory used: 167 MB Time elapsed: 15 s ***** [DM] Iteration 9/30 (scale 0.045084220027780106) ***** [1] xi(8)=0.04499901537312374 xi_scaled(8)=0.9981101002833395 zeta(9)=0.0002547361683066629 [2] xi(8)=0.0449970368680929 xi_scaled(8)=0.9980662156374562 zeta(9)=-0.000127159282330586 Stats: nr=60 min=1 max=529 Emax=8.001164323367117 nrkept=1564 nrkeptmult=1564 Kept: 1564 out of 6928, ratio=0.226 Memory used: 167 MB Time elapsed: 16 s ***** [DM] Iteration 10/30 (scale 0.031879357706149671) ***** [1] xi(9)=0.0318492567287473 xi_scaled(9)=0.9990557846967988 zeta(10)=0.000131761661853641 [2] xi(9)=0.03184851129259662 xi_scaled(9)=0.9990324016613702 zeta(10)=-6.578373164404831e-05 Stats: nr=66 min=1 max=547 Emax=8.003847934060317 nrkept=1474 nrkeptmult=1474 Kept: 1474 out of 6256, ratio=0.236 Memory used: 167 MB Time elapsed: 16 s ***** [DM] Iteration 11/30 (scale 0.022542110013890053) ***** [1] xi(10)=0.02253148184776144 xi_scaled(10)=0.9995285194632593 zeta(11)=6.799118207707658e-05 [2] xi(10)=0.02253120267118007 xi_scaled(10)=0.9995161347938033 zeta(11)=-3.394904699527403e-05 Stats: nr=60 min=1 max=462 Emax=8.001595969079499 nrkept=1379 nrkeptmult=1379 Kept: 1379 out of 5896, ratio=0.234 Memory used: 167 MB Time elapsed: 17 s ***** [DM] Iteration 12/30 (scale 0.015939678853074835) ***** [1] xi(11)=0.01593592728537936 xi_scaled(11)=0.999764639693807 zeta(12)=3.502843739521204e-05 [2] xi(11)=0.01593582315081149 xi_scaled(11)=0.9997581066532842 zeta(12)=-1.749149182332173e-05 Stats: nr=61 min=1 max=490 Emax=8.000151567530787 nrkept=1240 nrkeptmult=1240 Kept: 1240 out of 5516, ratio=0.225 Memory used: 167 MB Time elapsed: 18 s ***** [DM] Iteration 13/30 (scale 0.011271055006945026) ***** [1] xi(12)=0.01126973096332789 xi_scaled(12)=0.9998825270911803 zeta(13)=1.802489071994417e-05 [2] xi(12)=0.01126969223559219 xi_scaled(12)=0.9998790910565163 zeta(13)=-9.001229064404332e-06 Stats: nr=60 min=1 max=391 Emax=8.000293823195417 nrkept=1189 nrkeptmult=1189 Kept: 1189 out of 4960, ratio=0.24 Memory used: 167 MB Time elapsed: 18 s ***** [DM] Iteration 14/30 (scale 0.0079698394265374176) ***** [1] xi(13)=0.007969372171225574 xi_scaled(13)=0.9999413720544623 zeta(14)=9.266302946716484e-06 [2] xi(13)=0.007969357802453902 xi_scaled(13)=0.9999395691609655 zeta(14)=-4.627582840429299e-06 Stats: nr=58 min=1 max=432 Safeguard: keep additional 1 states Emax=8.0016428587824 nrkept=1070 nrkeptmult=1070 Kept: 1070 out of 4756, ratio=0.225 Memory used: 167 MB Time elapsed: 18 s ***** [DM] Iteration 15/30 (scale 0.0056355275034725132) ***** [1] xi(14)=0.005635362615768231 xi_scaled(14)=0.9999707413894829 zeta(15)=4.759700749219437e-06 [2] xi(14)=0.005635357295175078 xi_scaled(14)=0.9999697972732223 zeta(15)=-2.377076628637242e-06 Stats: nr=58 min=1 max=350 Emax=8.001101934770553 nrkept=1040 nrkeptmult=1040 Kept: 1040 out of 4280, ratio=0.243 Memory used: 167 MB Time elapsed: 19 s ***** [DM] Iteration 16/30 (scale 0.0039849197132687088) ***** [1] xi(15)=0.003984861529453632 xi_scaled(15)=0.999985398999412 zeta(16)=2.443027762642409e-06 [2] xi(15)=0.003984859562843065 xi_scaled(15)=0.99998490548619 zeta(16)=-1.220129828885497e-06 Stats: nr=55 min=1 max=380 Emax=8.004832050427691 nrkept=940 nrkeptmult=940 Kept: 940 out of 4160, ratio=0.226 Memory used: 167 MB Time elapsed: 19 s ***** [DM] Iteration 17/30 (scale 0.0028177637517362566) ***** [1] xi(16)=0.002817743219149807 xi_scaled(16)=0.9999927131625437 zeta(17)=1.253077726059027e-06 [2] xi(16)=0.002817742493281586 xi_scaled(16)=0.9999924555581859 zeta(17)=-6.258475888996304e-07 Stats: nr=58 min=1 max=310 Emax=8.001649608833674 nrkept=937 nrkeptmult=937 Kept: 937 out of 3760, ratio=0.249 Memory used: 167 MB Time elapsed: 19 s ***** [DM] Iteration 18/30 (scale 0.0019924598566343544) ***** [1] xi(17)=0.001992452611591127 xi_scaled(17)=0.9999963637695368 zeta(18)=6.423145085354871e-07 [2] xi(17)=0.00199245234416211 xi_scaled(17)=0.9999962295490075 zeta(18)=-3.208118193273756e-07 Stats: nr=55 min=1 max=348 Emax=8.000069981159347 nrkept=821 nrkeptmult=821 Kept: 821 out of 3748, ratio=0.219 Memory used: 167 MB Time elapsed: 20 s ***** [DM] Iteration 19/30 (scale 0.0014088818758681283) ***** [1] xi(18)=0.001408879317576819 xi_scaled(18)=0.9999981841690539 zeta(19)=3.290435485817222e-07 [2] xi(18)=0.001408879219071966 xi_scaled(18)=0.9999981142520121 zeta(19)=-1.643491127805991e-07 Stats: nr=56 min=1 max=278 Emax=8.001936193371268 nrkept=821 nrkeptmult=821 Kept: 821 out of 3284, ratio=0.25 Memory used: 167 MB Time elapsed: 20 s ***** [DM] Iteration 20/30 (scale 0.0009962299283171772) ***** [1] xi(19)=0.0009962290255367697 xi_scaled(19)=0.9999990938031654 zeta(20)=1.6846461364248e-07 [2] xi(19)=0.0009962289893992371 xi_scaled(19)=0.9999990575288762 zeta(20)=-8.414599348693996e-08 Stats: nr=51 min=1 max=311 Emax=8.003663302755244 nrkept=718 nrkeptmult=718 Kept: 718 out of 3284, ratio=0.219 Memory used: 167 MB Time elapsed: 20 s ***** [DM] Iteration 21/30 (scale 0.00070444093793406415) ***** [1] xi(20)=0.0007044406174694965 xi_scaled(20)=0.9999995450795796 zeta(21)=8.620372883328926e-08 [2] xi(20)=0.0007044406041199255 xi_scaled(20)=0.9999995261289901 zeta(21)=-4.305871490392935e-08 Stats: nr=54 min=1 max=245 Emax=8.003593016191354 nrkept=725 nrkeptmult=725 Kept: 725 out of 2872, ratio=0.252 Memory used: 167 MB Time elapsed: 20 s ***** [DM] Iteration 22/30 (scale 0.0004981149641585886) ***** [1] xi(21)=0.0004981148509632866 xi_scaled(21)=0.9999997727526573 zeta(22)=4.408765621817963e-08 [2] xi(21)=0.0004981148461382477 xi_scaled(21)=0.9999997630660603 zeta(22)=-2.202225783572433e-08 Stats: nr=50 min=1 max=279 Emax=8.005478279016668 nrkept=633 nrkeptmult=633 Kept: 633 out of 2900, ratio=0.218 Memory used: 167 MB Time elapsed: 20 s ***** [DM] Iteration 23/30 (scale 0.00035222046896703208) ***** [1] xi(22)=0.0003522204270901443 xi_scaled(22)=0.999999881106036 zeta(23)=2.253682876727027e-08 [2] xi(22)=0.0003522204252410301 xi_scaled(22)=0.9999998758561588 zeta(23)=-1.12576330340885e-08 Stats: nr=53 min=1 max=222 Emax=8.003693717547792 nrkept=638 nrkeptmult=638 Kept: 638 out of 2532, ratio=0.252 Memory used: 167 MB Time elapsed: 21 s ***** [DM] Iteration 24/30 (scale 0.0002490574820792943) ***** [1] xi(23)=0.0002490574671753122 xi_scaled(23)=0.9999999401584648 zeta(24)=1.151501805527817e-08 [2] xi(23)=0.0002490574665695402 xi_scaled(23)=0.9999999377262069 zeta(24)=-5.752121894348414e-09 Stats: nr=47 min=1 max=249 Emax=8.002687219686948 nrkept=583 nrkeptmult=583 Kept: 583 out of 2552, ratio=0.228 Memory used: 167 MB Time elapsed: 21 s ***** [DM] Iteration 25/30 (scale 0.00017611023448351604) ***** [1] xi(24)=0.0001761102272850995 xi_scaled(24)=0.9999999591255071 zeta(25)=5.880925916622163e-09 [2] xi(24)=0.0001761102269823558 xi_scaled(24)=0.9999999574064491 zeta(25)=-2.937772999204605e-09 Stats: nr=53 min=1 max=208 Emax=8.003947800532297 nrkept=587 nrkeptmult=587 Kept: 587 out of 2332, ratio=0.252 Memory used: 167 MB Time elapsed: 21 s ***** [DM] Iteration 26/30 (scale 0.00012452874103964715) ***** [1] xi(25)=0.000124528738370251 xi_scaled(25)=0.9999999785640152 zeta(26)=3.002271310143775e-09 [2] xi(25)=0.0001245287383306754 xi_scaled(25)=0.9999999782462129 zeta(26)=-1.499794090850391e-09 Stats: nr=46 min=1 max=218 Emax=8.002908334793613 nrkept=555 nrkeptmult=555 Kept: 555 out of 2348, ratio=0.236 Memory used: 167 MB Time elapsed: 21 s ***** [DM] Iteration 27/30 (scale 8.8055117241758019e-05) ***** [1] xi(26)=8.805511435994757e-05 xi_scaled(26)=0.9999999672726523 zeta(27)=1.53216222054203e-09 [2] xi(26)=8.805511426433593e-05 xi_scaled(26)=0.9999999661868364 zeta(27)=-7.654140051227814e-10 Stats: nr=52 min=1 max=201 Emax=8.000527110190701 nrkept=575 nrkeptmult=575 Kept: 575 out of 2220, ratio=0.259 Memory used: 167 MB Time elapsed: 21 s ***** [DM] Iteration 28/30 (scale 6.2264370519823575e-05) ***** [1] xi(27)=6.226436937271958e-05 xi_scaled(27)=0.9999999815768796 zeta(28)=7.816846689263562e-10 [2] xi(27)=6.226436940883905e-05 xi_scaled(27)=0.9999999821569781 zeta(28)=-3.905120712585741e-10 Stats: nr=46 min=1 max=212 Emax=8.000835975050286 nrkept=542 nrkeptmult=542 Kept: 542 out of 2300, ratio=0.236 Memory used: 167 MB Time elapsed: 21 s ***** [DM] Iteration 29/30 (scale 4.402755862087901e-05) ***** [1] xi(28)=4.40275562772398e-05 xi_scaled(28)=0.9999999467688129 zeta(29)=3.987800018918817e-10 [2] xi(28)=4.402755620930256e-05 xi_scaled(28)=0.9999999452257512 zeta(29)=-1.992287094278228e-10 Stats: nr=51 min=1 max=196 Emax=8.000193941381982 nrkept=566 nrkeptmult=566 Kept: 566 out of 2168, ratio=0.261 Memory used: 167 MB Time elapsed: 21 s ***** [DM] Iteration 30/30 (scale 3.1132185259911788e-05) ***** [1] xi(29)=3.113218430043151e-05 xi_scaled(29)=0.9999999691804392 zeta(30)=2.034299370869816e-10 [2] xi(29)=3.113218434659352e-05 xi_scaled(29)=0.9999999706632136 zeta(30)=-1.016373758929752e-10 Stats: nr=46 min=1 max=209 Emax=8.001334121065778 nrkept=2264 nrkeptmult=2264 Kept: 2264 out of 2264, ratio=1 Memory used: 167 MB Time elapsed: 22 s ** Iteration completed. Spectrum: A_d-A_d-d FDM [A_d-A_d-d] pos=0.44136628068844 neg=0.5586337193112482 sum= 0.9999999999996881 mu1=-0.007339945555001393 mu2=0.03257622691142559 mu3=0.0005369280239173532 mu4=0.0105711022334755 f=0.44136628068844 b=0.44136628068844 Spectrum: self_d-A_d-d FDM [self_d-A_d-d] pos=-0.0005384835300452471 neg=-0.006667145429470219 sum= -0.007205628959515467 mu1=0.0006327857744362244 mu2=-0.0002360844036856333 mu3=3.87352354686736e-05 mu4=-7.521309323734111e-05 f=-0.0005384835300452471 b=-0.0005384835300452471 Spectrum: A_d-A_d-u FDM [A_d-A_d-u] pos=0.6441125791904683 neg=0.3558874208091204 sum= 0.9999999999995888 mu1=0.002985992803602451 mu2=0.002574919453316805 mu3=-4.781260408904967e-05 mu4=0.0006574968451721821 f=0.6441125791904683 b=0.6441125791904683 Spectrum: self_d-A_d-u FDM [self_d-A_d-u] pos=0.004530173932457865 neg=-0.001598487966855567 sum= 0.002931685965602298 mu1=0.0006329023189845923 mu2=4.389023364060621e-05 mu3=5.934183598615388e-05 mu4=1.172652989158516e-05 f=0.004530173932457865 b=0.004530173932457865 Memory usage report =================== after diag: 171728 kB after recalc: 191272 kB after split: 171728 kB after trim: 171728 kB after trunc: 171728 kB diag_h: 111396 kB Peak usage: 191272 kB Timing report ============= All: 22 s DM: 1 s FDM: 2 s diag: 6 s recalc d: 3 s recalc s: 0 s spec d: 6 s Other: 3 s