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=manual_V bandrescale=1 betabar=1 T=1e-08 keep=10000 keepenergy=8 keepmin=200 log= logall=0 logenumber=10 smooth=old alpha=0.3 omega0=-1 omega0_ratio=1 brcut=0 loggauss_b=0.3 gauss_b=0.1 limitLL=0 eta=0 finite=0 bins=300 accumulation=0 linstep=0 discard_trim=1e-16 discard_immediately=1e-16 NN1=0 NN2even=1 NN2avg=0 NNtanh=0 goodE=2 savebins=1 broaden=0 broaden_max=2 broaden_min=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=manual preccpp=2000 checksumrules=0 globalB=0 globalBx=0 polarized=1 pol2x2=0 mpi=0 noimag=1 dumpsubspaces=0 done=1 resume=0 forcestop=-1 stopafter= removefiles=1 dump_f=0 rungs=0 >> Input file for NRG Ljubljana, Rok Zitko, rok.zitko@ijs.si, 2005-2015 SYMMETRY TYPE: 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 0.2569003401443907 (-1 0) 2 states 0.08309696598719349 0.4370338542662825 (-1 2) 2 states 0.1671371588924825 0.2604848909009733 (0 -1) 1 states 0.2632304801090853 (0 1) 4 states 0 0.1066147786848624 0.3531011115566916 0.4572013964481743 (0 3) 1 states 0.1707217096490651 (1 0) 2 states 0.1839037618963437 0.3053914749999287 (1 2) 2 states 0.02357294071027342 0.3732135257259787 (2 1) 1 states 0.226064756787187 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) =-1.106341309744973e-05 =1.000016942086962 ***** [NRG] Iteration 1/30 (scale 0.72134752044448169) ***** [1] xi(0)=0.5414205534174034 xi_scaled(0)=0.7505682601969568 zeta(1)=0.02206118955541452 [2] xi(0)=0.5441474364290095 xi_scaled(0)=0.75434852273938 zeta(1)=-0.01123144410605264 Stats: nr=16 min=1 max=9 Emax=3.132062633060136 nrkept=64 nrkeptmult=64 Total energy=-1.142223495646916 Egs=-1.241950096037233 Kept: 64 out of 64, ratio=1 =-2.858612671414843e-05 =1.000043276895013 Memory used: 48 MB Time elapsed: 0 s ***** [NRG] Iteration 2/30 (scale 0.51006972329839473) ***** [1] xi(1)=0.4165168229929107 xi_scaled(1)=0.8165880152608962 zeta(2)=0.01321896416460953 [2] xi(1)=0.4158983826894648 xi_scaled(1)=0.8153755529734923 zeta(2)=-0.006516747788940902 Stats: nr=25 min=1 max=36 Emax=5.95888246867861 nrkept=256 nrkeptmult=256 Total energy=-1.532358228578924 Egs=-0.7648654980130544 Kept: 256 out of 256, ratio=1 =-7.458501042813216e-05 =1.000111039838856 Memory used: 57 MB Time elapsed: 0 s ***** [NRG] Iteration 3/30 (scale 0.36067376022224085) ***** [1] xi(2)=0.3224288405850821 xi_scaled(2)=0.8939625671310468 zeta(3)=0.009291188863137177 [2] xi(2)=0.3221270800530505 xi_scaled(2)=0.8931259092831191 zeta(3)=-0.00460344520020513 Stats: nr=36 min=1 max=100 Emax=8.014947538348594 nrkept=881 nrkeptmult=881 Total energy=-1.988149656805267 Egs=-1.263722173593922 Kept: 881 out of 1024, ratio=0.86 =-0.0001866418103996648 =1.000263480044195 Memory used: 72 MB Time elapsed: 0 s ***** [NRG] Iteration 4/30 (scale 0.25503486164919736) ***** [1] xi(3)=0.2405229899714616 xi_scaled(3)=0.9430984784437157 zeta(4)=0.005747080602280655 [2] xi(3)=0.2403544035967568 xi_scaled(3)=0.9424374457769868 zeta(4)=-0.002854806562905144 Stats: nr=49 min=1 max=333 Emax=8.182197275683109 nrkept=1697 nrkeptmult=1697 Total energy=-2.238564498577513 Egs=-0.9818847515705282 Kept: 1697 out of 3524, ratio=0.482 =-0.0004034233021605759 =1.000565084230956 Memory used: 81 MB Time elapsed: 0 s ***** [NRG] Iteration 5/30 (scale 0.18033688011112042) ***** [1] xi(4)=0.1750237783476377 xi_scaled(4)=0.9705379079409111 zeta(5)=0.003265280351048156 [2] xi(4)=0.1749442502964377 xi_scaled(4)=0.9700969107851932 zeta(5)=-0.001625251279637838 Stats: nr=60 min=2 max=515 Emax=8.011011860205603 nrkept=1845 nrkeptmult=1845 Total energy=-2.467752893372506 Egs=-1.270890317353672 Kept: 1845 out of 6788, ratio=0.272 =-0.0008201182118529037 =1.001086862473433 Memory used: 99 MB Time elapsed: 1 s ***** [NRG] Iteration 6/30 (scale 0.12751743082459868) ***** [1] xi(5)=0.1256083192507204 xi_scaled(5)=0.9850286226633259 zeta(6)=0.001771688419690743 [2] xi(5)=0.1255746457768445 xi_scaled(5)=0.9847645530874399 zeta(6)=-0.00088301671319884 Stats: nr=69 min=1 max=631 Emax=8.001468079915954 nrkept=1985 nrkeptmult=1985 Total energy=-2.605551463174494 Egs=-1.080625361653736 Kept: 1985 out of 7380, ratio=0.269 =-0.00147748814591732 =1.001835270794385 Memory used: 106 MB Time elapsed: 1 s ***** [NRG] Iteration 7/30 (scale 0.090168440055560212) ***** [1] xi(6)=0.08948875527342766 xi_scaled(6)=0.9924620545535251 zeta(7)=0.0009382570069015131 [2] xi(6)=0.08947531159772099 xi_scaled(6)=0.9923129594189261 zeta(7)=-0.0004680119952766228 Stats: nr=60 min=2 max=604 Emax=8.002842652776085 nrkept=1802 nrkeptmult=1802 Total energy=-2.716793419025744 Egs=-1.233712768932292 Kept: 1802 out of 7940, ratio=0.227 =-0.002490433760212665 =1.002773037688977 Memory used: 97 MB Time elapsed: 2 s ***** [NRG] Iteration 8/30 (scale 0.063758715412299341) ***** [1] xi(7)=0.06351780259520157 xi_scaled(7)=0.9962214919867833 zeta(8)=0.0004905570532026821 [2] xi(7)=0.06351260406349932 xi_scaled(7)=0.9961399575382199 zeta(8)=-0.0002448111011111532 Stats: nr=68 min=1 max=615 Emax=8.000924183821432 nrkept=1732 nrkeptmult=1732 Total energy=-2.789671254334289 Egs=-1.143025464632974 Kept: 1732 out of 7208, ratio=0.24 =-0.003870326714371479 =1.003752576025595 Memory used: 97 MB Time elapsed: 3 s ***** [NRG] Iteration 9/30 (scale 0.045084220027780106) ***** [1] xi(8)=0.04499901665233966 xi_scaled(8)=0.9981101286572566 zeta(9)=0.0002547349321113009 [2] xi(8)=0.0449970395780738 xi_scaled(8)=0.998066275746756 zeta(9)=-0.0001271598518550593 Stats: nr=60 min=1 max=529 Emax=8.001185326525949 nrkept=1564 nrkeptmult=1564 Total energy=-2.843032628608594 Egs=-1.183593156129217 Kept: 1564 out of 6928, ratio=0.226 =-0.005761988519334219 =1.004440849831986 Memory used: 105 MB Time elapsed: 4 s ***** [NRG] Iteration 10/30 (scale 0.031879357706149671) ***** [1] xi(9)=0.03184925738488308 xi_scaled(9)=0.9990558052786368 zeta(10)=0.0001317653690442566 [2] xi(9)=0.03184851216043036 xi_scaled(9)=0.9990324288838053 zeta(10)=-6.578615838509658e-05 Stats: nr=66 min=1 max=547 Emax=8.00385775513746 nrkept=1474 nrkeptmult=1474 Total energy=-2.881135335259769 Egs=-1.195215631456244 Kept: 1474 out of 6256, ratio=0.236 =-0.008191396143321865 =1.004560174399226 Memory used: 105 MB Time elapsed: 4 s ***** [NRG] Iteration 11/30 (scale 0.022542110013890053) ***** [1] xi(10)=0.02253148232878564 xi_scaled(10)=0.999528540802176 zeta(11)=6.799115688012122e-05 [2] xi(10)=0.02253120312451252 xi_scaled(10)=0.999516154904274 zeta(11)=-3.394931881791992e-05 Stats: nr=60 min=1 max=462 Emax=8.00159998508475 nrkept=1379 nrkeptmult=1379 Total energy=-2.906638184100363 Egs=-1.131342577286672 Kept: 1379 out of 5896, ratio=0.234 =-0.01124404849997902 =1.003713272656269 Memory used: 105 MB Time elapsed: 5 s ***** [NRG] Iteration 12/30 (scale 0.015939678853074835) ***** [1] xi(11)=0.0159359274654443 xi_scaled(11)=0.9997646509904553 zeta(12)=3.502823574180706e-05 [2] xi(11)=0.01593582329823945 xi_scaled(11)=0.9997581159024015 zeta(12)=-1.749153341761243e-05 Stats: nr=61 min=1 max=490 Emax=8.000152250555315 nrkept=1240 nrkeptmult=1240 Total energy=-2.926475168744931 Egs=-1.244503407340708 Kept: 1240 out of 5516, ratio=0.225 =-0.01509230877041421 =1.001563707601497 Memory used: 105 MB Time elapsed: 5 s ***** [NRG] Iteration 13/30 (scale 0.011271055006945026) ***** [1] xi(12)=0.0112697311344659 xi_scaled(12)=0.9998825422750303 zeta(13)=1.802508694544188e-05 [2] xi(12)=0.01126969239632032 xi_scaled(12)=0.999879105316772 zeta(13)=-9.001398643898274e-06 Stats: nr=60 min=1 max=391 Emax=8.000270565662881 nrkept=1189 nrkeptmult=1189 Total energy=-2.938660377152472 Egs=-1.08110628508441 Kept: 1189 out of 4960, ratio=0.24 =-0.01982986516389367 =0.997928181944984 Memory used: 105 MB Time elapsed: 5 s ***** [NRG] Iteration 14/30 (scale 0.0079698394265374176) ***** [1] xi(13)=0.007969372080228363 xi_scaled(13)=0.9999413606367653 zeta(14)=9.266198576100054e-06 [2] xi(13)=0.007969357715312996 xi_scaled(13)=0.999939558227131 zeta(14)=-4.627566494349348e-06 Stats: nr=58 min=1 max=432 Emax=8.001575406173641 nrkept=1069 nrkeptmult=1069 Total energy=-2.948952782991372 Egs=-1.291419473851606 Kept: 1069 out of 4756, ratio=0.225 =-0.02571542249592009 =0.9926156426622094 Memory used: 105 MB Time elapsed: 6 s ***** [NRG] Iteration 15/30 (scale 0.0056355275034725132) ***** [1] xi(14)=0.005635362680229734 xi_scaled(14)=0.999970752827898 zeta(15)=4.759691060616355e-06 [2] xi(14)=0.005635357362683683 xi_scaled(14)=0.9999698092523326 zeta(15)=-2.377089711986065e-06 Stats: nr=58 min=1 max=349 Emax=8.001124075483604 nrkept=1040 nrkeptmult=1040 Total energy=-2.954794958089855 Egs=-1.036668722649837 Kept: 1040 out of 4276, ratio=0.243 =-0.03286529720721834 =0.9856845500663103 Memory used: 105 MB Time elapsed: 6 s ***** [NRG] Iteration 16/30 (scale 0.0039849197132687088) ***** [1] xi(15)=0.003984861459585824 xi_scaled(15)=0.9999853814663592 zeta(16)=2.443085340860337e-06 [2] xi(15)=0.003984859493431934 xi_scaled(15)=0.9999848880677383 zeta(16)=-1.220167577688427e-06 Stats: nr=55 min=1 max=380 Emax=8.004745154673259 nrkept=940 nrkeptmult=940 Total energy=-2.96010664899894 Egs=-1.332948036919764 Kept: 940 out of 4160, ratio=0.226 =-0.04140176170868892 =0.977092205282974 Memory used: 105 MB Time elapsed: 6 s ***** [NRG] Iteration 17/30 (scale 0.0028177637517362566) ***** [1] xi(16)=0.002817743294671098 xi_scaled(16)=0.9999927399643971 zeta(17)=1.253075498917658e-06 [2] xi(16)=0.002817742568845101 xi_scaled(16)=0.9999924823750244 zeta(17)=-6.258509521556674e-07 Stats: nr=58 min=1 max=310 Emax=8.001541990328587 nrkept=937 nrkeptmult=937 Total energy=-2.962929050279218 Egs=-1.001645818795011 Kept: 937 out of 3760, ratio=0.249 =-0.05108263372474525 =0.9671623995470776 Memory used: 105 MB Time elapsed: 6 s ***** [NRG] Iteration 18/30 (scale 0.0019924598566343544) ***** [1] xi(17)=0.001992452528118197 xi_scaled(17)=0.9999963218751268 zeta(18)=6.423075116928177e-07 [2] xi(17)=0.001992452260591967 xi_scaled(17)=0.9999961876058071 zeta(18)=-3.208105561913171e-07 Stats: nr=55 min=1 max=348 Emax=8.000072494550988 nrkept=821 nrkeptmult=821 Total energy=-2.965649710205658 Egs=-1.365477912832573 Kept: 821 out of 3748, ratio=0.219 =-0.06158238170057056 =0.9562788920253724 Memory used: 105 MB Time elapsed: 7 s ***** [NRG] Iteration 19/30 (scale 0.0014088818758681283) ***** [1] xi(18)=0.001408879384878022 xi_scaled(18)=0.9999982319382846 zeta(19)=3.290458596457532e-07 [2] xi(18)=0.001408879286422986 xi_scaled(18)=0.9999981620566022 zeta(19)=-1.643513825051863e-07 Stats: nr=56 min=1 max=278 Emax=8.001787597655273 nrkept=821 nrkeptmult=821 Total energy=-2.96702680927836 Egs=-0.977441115745449 Kept: 821 out of 3284, ratio=0.25 =-0.07186339822206064 =0.9455472059902207 Memory used: 105 MB Time elapsed: 7 s ***** [NRG] Iteration 20/30 (scale 0.0009962299283171772) ***** [1] xi(19)=0.0009962289399844536 xi_scaled(19)=0.9999990079270904 zeta(20)=1.684631618697747e-07 [2] xi(19)=0.0009962289038089214 xi_scaled(19)=0.9999989716146578 zeta(20)=-8.414582124738565e-08 Stats: nr=51 min=1 max=311 Emax=8.003725888233543 nrkept=718 nrkeptmult=718 Total energy=-2.968409297996405 Egs=-1.387720523895177 Kept: 718 out of 3284, ratio=0.219 =-0.08115998232117717 =0.9358021413231374 Memory used: 105 MB Time elapsed: 7 s ***** [NRG] Iteration 21/30 (scale 0.00070444093793406415) ***** [1] xi(20)=0.0007044406835014243 xi_scaled(20)=0.9999996388162212 zeta(21)=8.620338832993492e-08 [2] xi(20)=0.0007044406702221595 xi_scaled(20)=0.9999996199654362 zeta(21)=-4.305881793582165e-08 Stats: nr=54 min=1 max=245 Emax=8.003479410264386 nrkept=725 nrkeptmult=725 Total energy=-2.969087391802027 Egs=-0.962598521902166 Kept: 725 out of 2872, ratio=0.252 =-0.08862155875095459 =0.9279647971247819 Memory used: 105 MB Time elapsed: 7 s ***** [NRG] Iteration 22/30 (scale 0.0004981149641585886) ***** [1] xi(21)=0.0004981147660772493 xi_scaled(21)=0.9999996023381076 zeta(22)=4.4088112184941e-08 [2] xi(21)=0.0004981147612057368 xi_scaled(21)=0.9999995925582117 zeta(22)=-2.202261898090609e-08 Stats: nr=50 min=1 max=279 Emax=8.005524298757546 nrkept=633 nrkeptmult=633 Total energy=-2.969785368391399 Egs=-1.401235938676469 Kept: 633 out of 2900, ratio=0.218 =-0.09400638316206766 =0.9222911922806069 Memory used: 105 MB Time elapsed: 7 s ***** [NRG] Iteration 23/30 (scale 0.00035222046896703208) ***** [1] xi(22)=0.0003522204929041246 xi_scaled(22)=1.000000067960538 zeta(23)=2.253637989736545e-08 [2] xi(22)=0.0003522204911188212 xi_scaled(22)=1.000000062891828 zeta(23)=-1.125747161754716e-08 Stats: nr=53 min=1 max=222 Emax=8.003658450665421 nrkept=638 nrkeptmult=638 Total energy=-2.970121481917124 Egs=-0.9542702805161115 Kept: 638 out of 2532, ratio=0.252 =-0.09747156918025729 =0.9186390445503549 Memory used: 105 MB Time elapsed: 7 s ***** [NRG] Iteration 24/30 (scale 0.0002490574820792943) ***** [1] xi(23)=0.000249057379725655 xi_scaled(23)=0.9999995890360794 zeta(24)=1.15144139780508e-08 [2] xi(23)=0.0002490573790720686 xi_scaled(23)=0.9999995864118401 zeta(24)=-5.751847908532567e-09 Stats: nr=47 min=1 max=249 Emax=8.002555721437963 nrkept=583 nrkeptmult=583 Total energy=-2.970472350182717 Egs=-1.408784280093674 Kept: 583 out of 2552, ratio=0.228 =-0.09948530388550746 =0.9165140995981642 Memory used: 105 MB Time elapsed: 7 s ***** [NRG] Iteration 25/30 (scale 0.00017611023448351604) ***** [1] xi(24)=0.0001761102919216408 xi_scaled(24)=1.000000326148704 zeta(25)=5.880540623677725e-09 [2] xi(24)=0.0001761102916826228 xi_scaled(24)=1.000000324791497 zeta(25)=-2.937590775368189e-09 Stats: nr=53 min=1 max=208 Emax=8.003960124393219 nrkept=587 nrkeptmult=587 Total energy=-2.970639628252961 Egs=-0.9498486600427183 Kept: 587 out of 2332, ratio=0.252 =-0.1005972243128906 =0.9153403465168537 Memory used: 105 MB Time elapsed: 8 s ***** [NRG] Iteration 26/30 (scale 0.00012452874103964715) ***** [1] xi(25)=0.0001245286518620078 xi_scaled(25)=0.9999992838790578 zeta(26)=3.001824186966435e-09 [2] xi(25)=0.0001245286517746978 xi_scaled(25)=0.9999992831779346 zeta(26)=-1.499572338622239e-09 Stats: nr=46 min=1 max=218 Emax=8.002849638889032 nrkept=555 nrkeptmult=555 Total energy=-2.970815560830129 Egs=-1.412786925332073 Kept: 555 out of 2348, ratio=0.236 =-0.1011702326506792 =0.9147355035338453 Memory used: 105 MB Time elapsed: 8 s ***** [NRG] Iteration 27/30 (scale 8.8055117241758019e-05) ***** [1] xi(26)=8.805517931215591e-05 xi_scaled(26)=1.000000704903927 zeta(27)=1.531731508280846e-09 [2] xi(26)=8.805517928028334e-05 xi_scaled(26)=1.000000704541965 zeta(27)=-7.65195872542988e-10 Stats: nr=52 min=1 max=201 Emax=8.000651863774543 nrkept=575 nrkeptmult=575 Total energy=-2.970898999340499 Egs=-0.9475713959967196 Kept: 575 out of 2220, ratio=0.259 =-0.101469984989584 =0.9144190824905558 Memory used: 105 MB Time elapsed: 8 s ***** [NRG] Iteration 28/30 (scale 6.2264370519823575e-05) ***** [1] xi(27)=6.226428210041178e-05 xi_scaled(27)=0.999998579935667 zeta(28)=7.812668570575361e-10 [2] xi(27)=6.226428208878024e-05 xi_scaled(27)=0.9999985797488581 zeta(28)=-3.902984934207766e-10 Stats: nr=46 min=1 max=212 Emax=8.000706387009359 nrkept=542 nrkeptmult=542 Total energy=-2.970987093976503 Egs=-1.414848255406004 Kept: 542 out of 2300, ratio=0.236 =-0.1016184578283199 =0.9142621939591871 Memory used: 105 MB Time elapsed: 8 s ***** [NRG] Iteration 29/30 (scale 4.402755862087901e-05) ***** [1] xi(28)=4.40276208717963e-05 xi_scaled(28)=1.000001413907998 zeta(29)=3.983327669976104e-10 [2] xi(28)=4.402762086755497e-05 xi_scaled(28)=1.000001413811665 zeta(29)=-1.98998911906139e-10 Stats: nr=51 min=1 max=196 Emax=8.000336003531956 nrkept=566 nrkeptmult=566 Total energy=-2.971028762427104 Egs=-0.9464174691063167 Kept: 566 out of 2168, ratio=0.261 =-0.1016957675536077 =0.9141805020876675 Memory used: 105 MB Time elapsed: 8 s ***** [NRG] Iteration 30/30 (scale 3.1132185259911788e-05) ***** [1] xi(29)=3.113209720851036e-05 xi_scaled(29)=0.9999971716922315 zeta(30)=2.030077406067208e-10 [2] xi(29)=3.113209720696513e-05 xi_scaled(29)=0.9999971716425967 zeta(30)=-1.014201365791623e-10 Stats: nr=46 min=1 max=209 Emax=8.000082194887865 nrkept=2264 nrkeptmult=2264 Total energy=-2.971072842234435 Egs=-1.415891848352231 Kept: 2264 out of 2264, ratio=1 =-0.1017327586412665 =0.9141415604614108 Memory used: 105 MB Time elapsed: 8 s ** Iteration completed. Total energy: -2.971072842234435 TKW=0.004112988185672338 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 0.2569003401443907 (-1 0) 2 states 0.08309696598719349 0.4370338542662825 (-1 2) 2 states 0.1671371588924825 0.2604848909009733 (0 -1) 1 states 0.2632304801090853 (0 1) 4 states 0 0.1066147786848624 0.3531011115566916 0.4572013964481743 (0 3) 1 states 0.1707217096490651 (1 0) 2 states 0.1839037618963437 0.3053914749999287 (1 2) 2 states 0.02357294071027342 0.3732135257259787 (2 1) 1 states 0.226064756787187 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)=0.5414205534174034 xi_scaled(0)=0.7505682601969568 zeta(1)=0.02206118955541452 [2] xi(0)=0.5441474364290095 xi_scaled(0)=0.75434852273938 zeta(1)=-0.01123144410605264 Stats: nr=16 min=1 max=9 Emax=3.132062633060136 nrkept=64 nrkeptmult=64 Kept: 64 out of 64, ratio=1 Memory used: 97 MB Time elapsed: 12 s ***** [DM] Iteration 2/30 (scale 0.51006972329839473) ***** [1] xi(1)=0.4165168229929107 xi_scaled(1)=0.8165880152608962 zeta(2)=0.01321896416460953 [2] xi(1)=0.4158983826894648 xi_scaled(1)=0.8153755529734923 zeta(2)=-0.006516747788940902 Stats: nr=25 min=1 max=36 Emax=5.95888246867861 nrkept=256 nrkeptmult=256 Kept: 256 out of 256, ratio=1 Memory used: 97 MB Time elapsed: 12 s ***** [DM] Iteration 3/30 (scale 0.36067376022224085) ***** [1] xi(2)=0.3224288405850821 xi_scaled(2)=0.8939625671310468 zeta(3)=0.009291188863137177 [2] xi(2)=0.3221270800530505 xi_scaled(2)=0.8931259092831191 zeta(3)=-0.00460344520020513 Stats: nr=36 min=1 max=100 Emax=8.014947538348594 nrkept=881 nrkeptmult=881 Kept: 881 out of 1024, ratio=0.86 Memory used: 97 MB Time elapsed: 12 s ***** [DM] Iteration 4/30 (scale 0.25503486164919736) ***** [1] xi(3)=0.2405229899714616 xi_scaled(3)=0.9430984784437157 zeta(4)=0.005747080602280655 [2] xi(3)=0.2403544035967568 xi_scaled(3)=0.9424374457769868 zeta(4)=-0.002854806562905144 Stats: nr=49 min=1 max=333 Emax=8.182197275683109 nrkept=1697 nrkeptmult=1697 Kept: 1697 out of 3524, ratio=0.482 Memory used: 101 MB Time elapsed: 12 s ***** [DM] Iteration 5/30 (scale 0.18033688011112042) ***** [1] xi(4)=0.1750237783476377 xi_scaled(4)=0.9705379079409111 zeta(5)=0.003265280351048156 [2] xi(4)=0.1749442502964377 xi_scaled(4)=0.9700969107851932 zeta(5)=-0.001625251279637838 Stats: nr=60 min=2 max=515 Emax=8.011011860205603 nrkept=1845 nrkeptmult=1845 Kept: 1845 out of 6788, ratio=0.272 Memory used: 155 MB Time elapsed: 13 s ***** [DM] Iteration 6/30 (scale 0.12751743082459868) ***** [1] xi(5)=0.1256083192507204 xi_scaled(5)=0.9850286226633259 zeta(6)=0.001771688419690743 [2] xi(5)=0.1255746457768445 xi_scaled(5)=0.9847645530874399 zeta(6)=-0.00088301671319884 Stats: nr=69 min=1 max=631 Emax=8.001468079915954 nrkept=1985 nrkeptmult=1985 Kept: 1985 out of 7380, ratio=0.269 Memory used: 158 MB Time elapsed: 14 s ***** [DM] Iteration 7/30 (scale 0.090168440055560212) ***** [1] xi(6)=0.08948875527342766 xi_scaled(6)=0.9924620545535251 zeta(7)=0.0009382570069015131 [2] xi(6)=0.08947531159772099 xi_scaled(6)=0.9923129594189261 zeta(7)=-0.0004680119952766228 Stats: nr=60 min=2 max=604 Emax=8.002842652776085 nrkept=1802 nrkeptmult=1802 Kept: 1802 out of 7940, ratio=0.227 Memory used: 172 MB Time elapsed: 16 s ***** [DM] Iteration 8/30 (scale 0.063758715412299341) ***** [1] xi(7)=0.06351780259520157 xi_scaled(7)=0.9962214919867833 zeta(8)=0.0004905570532026821 [2] xi(7)=0.06351260406349932 xi_scaled(7)=0.9961399575382199 zeta(8)=-0.0002448111011111532 Stats: nr=68 min=1 max=615 Emax=8.000924183821432 nrkept=1732 nrkeptmult=1732 Kept: 1732 out of 7208, ratio=0.24 Memory used: 172 MB Time elapsed: 16 s ***** [DM] Iteration 9/30 (scale 0.045084220027780106) ***** [1] xi(8)=0.04499901665233966 xi_scaled(8)=0.9981101286572566 zeta(9)=0.0002547349321113009 [2] xi(8)=0.0449970395780738 xi_scaled(8)=0.998066275746756 zeta(9)=-0.0001271598518550593 Stats: nr=60 min=1 max=529 Emax=8.001185326525949 nrkept=1564 nrkeptmult=1564 Kept: 1564 out of 6928, ratio=0.226 Memory used: 172 MB Time elapsed: 17 s ***** [DM] Iteration 10/30 (scale 0.031879357706149671) ***** [1] xi(9)=0.03184925738488308 xi_scaled(9)=0.9990558052786368 zeta(10)=0.0001317653690442566 [2] xi(9)=0.03184851216043036 xi_scaled(9)=0.9990324288838053 zeta(10)=-6.578615838509658e-05 Stats: nr=66 min=1 max=547 Emax=8.00385775513746 nrkept=1474 nrkeptmult=1474 Kept: 1474 out of 6256, ratio=0.236 Memory used: 172 MB Time elapsed: 18 s ***** [DM] Iteration 11/30 (scale 0.022542110013890053) ***** [1] xi(10)=0.02253148232878564 xi_scaled(10)=0.999528540802176 zeta(11)=6.799115688012122e-05 [2] xi(10)=0.02253120312451252 xi_scaled(10)=0.999516154904274 zeta(11)=-3.394931881791992e-05 Stats: nr=60 min=1 max=462 Emax=8.00159998508475 nrkept=1379 nrkeptmult=1379 Kept: 1379 out of 5896, ratio=0.234 Memory used: 172 MB Time elapsed: 19 s ***** [DM] Iteration 12/30 (scale 0.015939678853074835) ***** [1] xi(11)=0.0159359274654443 xi_scaled(11)=0.9997646509904553 zeta(12)=3.502823574180706e-05 [2] xi(11)=0.01593582329823945 xi_scaled(11)=0.9997581159024015 zeta(12)=-1.749153341761243e-05 Stats: nr=61 min=1 max=490 Emax=8.000152250555315 nrkept=1240 nrkeptmult=1240 Kept: 1240 out of 5516, ratio=0.225 Memory used: 172 MB Time elapsed: 19 s ***** [DM] Iteration 13/30 (scale 0.011271055006945026) ***** [1] xi(12)=0.0112697311344659 xi_scaled(12)=0.9998825422750303 zeta(13)=1.802508694544188e-05 [2] xi(12)=0.01126969239632032 xi_scaled(12)=0.999879105316772 zeta(13)=-9.001398643898274e-06 Stats: nr=60 min=1 max=391 Emax=8.000270565662881 nrkept=1189 nrkeptmult=1189 Kept: 1189 out of 4960, ratio=0.24 Memory used: 172 MB Time elapsed: 20 s ***** [DM] Iteration 14/30 (scale 0.0079698394265374176) ***** [1] xi(13)=0.007969372080228363 xi_scaled(13)=0.9999413606367653 zeta(14)=9.266198576100054e-06 [2] xi(13)=0.007969357715312996 xi_scaled(13)=0.999939558227131 zeta(14)=-4.627566494349348e-06 Stats: nr=58 min=1 max=432 Emax=8.001575406173641 nrkept=1069 nrkeptmult=1069 Kept: 1069 out of 4756, ratio=0.225 Memory used: 172 MB Time elapsed: 20 s ***** [DM] Iteration 15/30 (scale 0.0056355275034725132) ***** [1] xi(14)=0.005635362680229734 xi_scaled(14)=0.999970752827898 zeta(15)=4.759691060616355e-06 [2] xi(14)=0.005635357362683683 xi_scaled(14)=0.9999698092523326 zeta(15)=-2.377089711986065e-06 Stats: nr=58 min=1 max=349 Emax=8.001124075483604 nrkept=1040 nrkeptmult=1040 Kept: 1040 out of 4276, ratio=0.243 Memory used: 172 MB Time elapsed: 20 s ***** [DM] Iteration 16/30 (scale 0.0039849197132687088) ***** [1] xi(15)=0.003984861459585824 xi_scaled(15)=0.9999853814663592 zeta(16)=2.443085340860337e-06 [2] xi(15)=0.003984859493431934 xi_scaled(15)=0.9999848880677383 zeta(16)=-1.220167577688427e-06 Stats: nr=55 min=1 max=380 Emax=8.004745154673259 nrkept=940 nrkeptmult=940 Kept: 940 out of 4160, ratio=0.226 Memory used: 172 MB Time elapsed: 21 s ***** [DM] Iteration 17/30 (scale 0.0028177637517362566) ***** [1] xi(16)=0.002817743294671098 xi_scaled(16)=0.9999927399643971 zeta(17)=1.253075498917658e-06 [2] xi(16)=0.002817742568845101 xi_scaled(16)=0.9999924823750244 zeta(17)=-6.258509521556674e-07 Stats: nr=58 min=1 max=310 Emax=8.001541990328587 nrkept=937 nrkeptmult=937 Kept: 937 out of 3760, ratio=0.249 Memory used: 172 MB Time elapsed: 21 s ***** [DM] Iteration 18/30 (scale 0.0019924598566343544) ***** [1] xi(17)=0.001992452528118197 xi_scaled(17)=0.9999963218751268 zeta(18)=6.423075116928177e-07 [2] xi(17)=0.001992452260591967 xi_scaled(17)=0.9999961876058071 zeta(18)=-3.208105561913171e-07 Stats: nr=55 min=1 max=348 Emax=8.000072494550988 nrkept=821 nrkeptmult=821 Kept: 821 out of 3748, ratio=0.219 Memory used: 172 MB Time elapsed: 21 s ***** [DM] Iteration 19/30 (scale 0.0014088818758681283) ***** [1] xi(18)=0.001408879384878022 xi_scaled(18)=0.9999982319382846 zeta(19)=3.290458596457532e-07 [2] xi(18)=0.001408879286422986 xi_scaled(18)=0.9999981620566022 zeta(19)=-1.643513825051863e-07 Stats: nr=56 min=1 max=278 Emax=8.001787597655273 nrkept=821 nrkeptmult=821 Kept: 821 out of 3284, ratio=0.25 Memory used: 172 MB Time elapsed: 22 s ***** [DM] Iteration 20/30 (scale 0.0009962299283171772) ***** [1] xi(19)=0.0009962289399844536 xi_scaled(19)=0.9999990079270904 zeta(20)=1.684631618697747e-07 [2] xi(19)=0.0009962289038089214 xi_scaled(19)=0.9999989716146578 zeta(20)=-8.414582124738565e-08 Stats: nr=51 min=1 max=311 Emax=8.003725888233543 nrkept=718 nrkeptmult=718 Kept: 718 out of 3284, ratio=0.219 Memory used: 172 MB Time elapsed: 22 s ***** [DM] Iteration 21/30 (scale 0.00070444093793406415) ***** [1] xi(20)=0.0007044406835014243 xi_scaled(20)=0.9999996388162212 zeta(21)=8.620338832993492e-08 [2] xi(20)=0.0007044406702221595 xi_scaled(20)=0.9999996199654362 zeta(21)=-4.305881793582165e-08 Stats: nr=54 min=1 max=245 Emax=8.003479410264386 nrkept=725 nrkeptmult=725 Kept: 725 out of 2872, ratio=0.252 Memory used: 172 MB Time elapsed: 22 s ***** [DM] Iteration 22/30 (scale 0.0004981149641585886) ***** [1] xi(21)=0.0004981147660772493 xi_scaled(21)=0.9999996023381076 zeta(22)=4.4088112184941e-08 [2] xi(21)=0.0004981147612057368 xi_scaled(21)=0.9999995925582117 zeta(22)=-2.202261898090609e-08 Stats: nr=50 min=1 max=279 Emax=8.005524298757546 nrkept=633 nrkeptmult=633 Kept: 633 out of 2900, ratio=0.218 Memory used: 172 MB Time elapsed: 22 s ***** [DM] Iteration 23/30 (scale 0.00035222046896703208) ***** [1] xi(22)=0.0003522204929041246 xi_scaled(22)=1.000000067960538 zeta(23)=2.253637989736545e-08 [2] xi(22)=0.0003522204911188212 xi_scaled(22)=1.000000062891828 zeta(23)=-1.125747161754716e-08 Stats: nr=53 min=1 max=222 Emax=8.003658450665421 nrkept=638 nrkeptmult=638 Kept: 638 out of 2532, ratio=0.252 Memory used: 172 MB Time elapsed: 22 s ***** [DM] Iteration 24/30 (scale 0.0002490574820792943) ***** [1] xi(23)=0.000249057379725655 xi_scaled(23)=0.9999995890360794 zeta(24)=1.15144139780508e-08 [2] xi(23)=0.0002490573790720686 xi_scaled(23)=0.9999995864118401 zeta(24)=-5.751847908532567e-09 Stats: nr=47 min=1 max=249 Emax=8.002555721437963 nrkept=583 nrkeptmult=583 Kept: 583 out of 2552, ratio=0.228 Memory used: 172 MB Time elapsed: 23 s ***** [DM] Iteration 25/30 (scale 0.00017611023448351604) ***** [1] xi(24)=0.0001761102919216408 xi_scaled(24)=1.000000326148704 zeta(25)=5.880540623677725e-09 [2] xi(24)=0.0001761102916826228 xi_scaled(24)=1.000000324791497 zeta(25)=-2.937590775368189e-09 Stats: nr=53 min=1 max=208 Emax=8.003960124393219 nrkept=587 nrkeptmult=587 Kept: 587 out of 2332, ratio=0.252 Memory used: 172 MB Time elapsed: 23 s ***** [DM] Iteration 26/30 (scale 0.00012452874103964715) ***** [1] xi(25)=0.0001245286518620078 xi_scaled(25)=0.9999992838790578 zeta(26)=3.001824186966435e-09 [2] xi(25)=0.0001245286517746978 xi_scaled(25)=0.9999992831779346 zeta(26)=-1.499572338622239e-09 Stats: nr=46 min=1 max=218 Emax=8.002849638889032 nrkept=555 nrkeptmult=555 Kept: 555 out of 2348, ratio=0.236 Memory used: 172 MB Time elapsed: 23 s ***** [DM] Iteration 27/30 (scale 8.8055117241758019e-05) ***** [1] xi(26)=8.805517931215591e-05 xi_scaled(26)=1.000000704903927 zeta(27)=1.531731508280846e-09 [2] xi(26)=8.805517928028334e-05 xi_scaled(26)=1.000000704541965 zeta(27)=-7.65195872542988e-10 Stats: nr=52 min=1 max=201 Emax=8.000651863774543 nrkept=575 nrkeptmult=575 Kept: 575 out of 2220, ratio=0.259 Memory used: 172 MB Time elapsed: 23 s ***** [DM] Iteration 28/30 (scale 6.2264370519823575e-05) ***** [1] xi(27)=6.226428210041178e-05 xi_scaled(27)=0.999998579935667 zeta(28)=7.812668570575361e-10 [2] xi(27)=6.226428208878024e-05 xi_scaled(27)=0.9999985797488581 zeta(28)=-3.902984934207766e-10 Stats: nr=46 min=1 max=212 Emax=8.000706387009359 nrkept=542 nrkeptmult=542 Kept: 542 out of 2300, ratio=0.236 Memory used: 172 MB Time elapsed: 23 s ***** [DM] Iteration 29/30 (scale 4.402755862087901e-05) ***** [1] xi(28)=4.40276208717963e-05 xi_scaled(28)=1.000001413907998 zeta(29)=3.983327669976104e-10 [2] xi(28)=4.402762086755497e-05 xi_scaled(28)=1.000001413811665 zeta(29)=-1.98998911906139e-10 Stats: nr=51 min=1 max=196 Emax=8.000336003531956 nrkept=566 nrkeptmult=566 Kept: 566 out of 2168, ratio=0.261 Memory used: 172 MB Time elapsed: 23 s ***** [DM] Iteration 30/30 (scale 3.1132185259911788e-05) ***** [1] xi(29)=3.113209720851036e-05 xi_scaled(29)=0.9999971716922315 zeta(30)=2.030077406067208e-10 [2] xi(29)=3.113209720696513e-05 xi_scaled(29)=0.9999971716425967 zeta(30)=-1.014201365791623e-10 Stats: nr=46 min=1 max=209 Emax=8.000082194887865 nrkept=2264 nrkeptmult=2264 Kept: 2264 out of 2264, ratio=1 Memory used: 172 MB Time elapsed: 23 s ** Iteration completed. Spectrum: A_d-A_d-d FDM [A_d-A_d-d] pos=0.4414062827314028 neg=0.5585937172682962 sum= 0.9999999999996989 mu1=-0.007331063844997099 mu2=0.0325588770262266 mu3=0.0005362207642634099 mu4=0.01056060015306868 f=0.4414062827314028 b=0.4414062827314028 Spectrum: self_d-A_d-d FDM [self_d-A_d-d] pos=-0.0005361481364094099 neg=-0.006664650324341052 sum= -0.007200798460750462 mu1=0.0006327405004303728 mu2=-0.0002358028133996155 mu3=3.872443395039078e-05 mu4=-7.508760246084626e-05 f=-0.0005361481364094099 b=-0.0005361481364094099 Spectrum: A_d-A_d-u FDM [A_d-A_d-u] pos=0.6440159692151177 neg=0.3559840307844723 sum= 0.99999999999959 mu1=0.00298373827236639 mu2=0.00257385707592055 mu3=-4.773231178420195e-05 mu4=0.0006568732505079812 f=0.6440159692151177 b=0.6440159692151177 Spectrum: self_d-A_d-u FDM [self_d-A_d-u] pos=0.00452909402563083 neg=-0.001599408162183564 sum= 0.002929685863447266 mu1=0.0006329154086910293 mu2=4.384846907062648e-05 mu3=5.931236381853579e-05 mu4=1.170904895043856e-05 f=0.00452909402563083 b=0.00452909402563083 Memory usage report =================== after diag: 176308 kB after recalc: 192800 kB after split: 176308 kB after trim: 176308 kB after trunc: 176308 kB diag_h: 115640 kB Peak usage: 192800 kB Timing report ============= All: 23 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