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=0.0001 broaden_min_ratio=3 broaden_ratio=1.01 dumpenergies=0 dumpannotated=0 dumpscaled=1 dumpabs=0 dumpprecision=8 dumpgroups=1 grouptol=1e-06 dumpdiagonal=0 ops=A_d_u A_d_d self_d_u self_d_d n_d SZd specs= specd=A_d_u-A_d_u self_d_u-A_d_u A_d_d-A_d_d self_d_d-A_d_d spect= specq= specot= reim=0 specgt= gtp=0.7 speci1t= speci2t= specchit= chitp=1 chitp_ratio=-999 dm=1 T0opt=-1 dmnrg=0 cfs=0 cfsgt=0 cfsls=0 fdm=1 fdmgt=0 fdmls=0 fdmexpv=0 fdmexpvn=0 cfsold=0 fdmold=0 width_td=12 width_custom=12 prec_td=6 prec_custom=6 prec_xy=6 safeguard=1e-05 safeguardmax=200 fixeps=1e-15 diag=dsyev diagratio=1 dsyevrlimit=100 zheevrlimit=100 restart=1 restartfactor=2 checkdiag=0 checkrho=0 calc0=1 tdht=0 spin=2 tri=manual preccpp=2000 checksumrules=0 globalB=0 globalBx=0 polarized=1 pol2x2=0 mpi=0 noimag=1 dumpsubspaces=0 done=1 resume=0 forcestop=-1 stopafter= removefiles=1 dump_f=0 rungs=0 >> Input file for NRG Ljubljana, Rok Zitko, rok.zitko@ijs.si, 2005-2015 SYMMETRY TYPE: U1 invdim=1 0 Q additive I=(0) [0 (additive)] singlet QNs=(0) mult=1 >> Using sneg version 1.250 V8 >> Number of channels, impurities, chain sites, subspaces: channels=1 impurities=1 Nmax=30 subspaces=5 Reading <||||> (e) Reading <||n_d||> (s) Reading <||A_d_u||> (d) Reading <||A_d_d||> (d) Reading <||self_d_u||> (d) Reading <||self_d_d||> (d) Reading <||SZd||> (s) Reading <||||> (z) length_coef_table=30 Nmax=30 Number of invariant subspaces: 5 (-2) 1 states 0.2569003401443908 (-1) 4 states 0.08309696598719359 0.1671371588924826 0.2604848909009734 0.4370338542662826 (0) 6 states 0 0.1066147786848625 0.1707217096490652 0.2632304801090853 0.3531011115566917 0.4572013964481746 (1) 4 states 0.02357294071027351 0.1839037618963437 0.3053914749999287 0.3732135257259788 (2) 1 states 0.2260647567871871 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) =-1.106341309743243e-05 =1.000016942086962 ***** [NRG] Iteration 1/30 (scale 0.72134752044448169) ***** [1] xi(0)=0.5414205534174034 xi_scaled(0)=0.7505682601969568 zeta(1)=0.02206118955541444 [2] xi(0)=0.5441474364290095 xi_scaled(0)=0.75434852273938 zeta(1)=-0.01123144410605264 Stats: nr=7 min=1 max=20 Emax=3.132062633060136 nrkept=64 nrkeptmult=64 Total energy=-1.142223495646916 Egs=-1.241950096037233 Kept: 64 out of 64, ratio=1 =-2.858612671421918e-05 =1.000043276895014 Memory used: 48 MB Time elapsed: 0 s ***** [NRG] Iteration 2/30 (scale 0.51006972329839473) ***** [1] xi(1)=0.4165168229929107 xi_scaled(1)=0.8165880152608963 zeta(2)=0.0132189641646095 [2] xi(1)=0.4158983826894648 xi_scaled(1)=0.8153755529734923 zeta(2)=-0.006516747788940903 Stats: nr=9 min=1 max=70 Emax=5.958882468678606 nrkept=256 nrkeptmult=256 Total energy=-1.532358228578924 Egs=-0.7648654980130544 Kept: 256 out of 256, ratio=1 =-7.458501042826964e-05 =1.000111039838856 Memory used: 65 MB Time elapsed: 0 s ***** [NRG] Iteration 3/30 (scale 0.36067376022224085) ***** [1] xi(2)=0.3224288405850821 xi_scaled(2)=0.893962567131047 zeta(3)=0.009291188863137149 [2] xi(2)=0.3221270800530505 xi_scaled(2)=0.8931259092831191 zeta(3)=-0.004603445200205127 Stats: nr=11 min=1 max=252 Emax=8.014947538348608 nrkept=881 nrkeptmult=881 Total energy=-1.988149656805272 Egs=-1.263722173593936 Kept: 881 out of 1024, ratio=0.86 =-0.0001866418104005006 =1.000263480044196 Memory used: 79 MB Time elapsed: 0 s ***** [NRG] Iteration 4/30 (scale 0.25503486164919736) ***** [1] xi(3)=0.2405229899714616 xi_scaled(3)=0.9430984784437157 zeta(4)=0.00574708060228063 [2] xi(3)=0.2403544035967568 xi_scaled(3)=0.9424374457769868 zeta(4)=-0.002854806562905148 Stats: nr=13 min=1 max=784 Emax=8.182197275683119 nrkept=1697 nrkeptmult=1697 Total energy=-2.238564498577515 Egs=-0.981884751570513 Kept: 1697 out of 3524, ratio=0.482 =-0.0004034233021624975 =1.000565084230957 Memory used: 108 MB Time elapsed: 1 s ***** [NRG] Iteration 5/30 (scale 0.18033688011112042) ***** [1] xi(4)=0.1750237783476377 xi_scaled(4)=0.9705379079409111 zeta(5)=0.003265280351048169 [2] xi(4)=0.1749442502964377 xi_scaled(4)=0.9700969107851932 zeta(5)=-0.001625251279637835 Stats: nr=13 min=4 max=1429 Emax=8.011011860205647 nrkept=1845 nrkeptmult=1845 Total energy=-2.46775289337252 Egs=-1.27089031735374 Kept: 1845 out of 6788, ratio=0.272 =-0.0008201182118571801 =1.001086862473434 Memory used: 153 MB Time elapsed: 5 s ***** [NRG] Iteration 6/30 (scale 0.12751743082459868) ***** [1] xi(5)=0.1256083192507204 xi_scaled(5)=0.9850286226633264 zeta(6)=0.001771688419690766 [2] xi(5)=0.1255746457768445 xi_scaled(5)=0.9847645530874399 zeta(6)=-0.0008830167131988428 Stats: nr=13 min=5 max=1548 Emax=8.001468079915956 nrkept=1985 nrkeptmult=1985 Total energy=-2.605551463174495 Egs=-1.080625361653645 Kept: 1985 out of 7380, ratio=0.269 =-0.001477488145925031 =1.001835270794385 Memory used: 205 MB Time elapsed: 11 s ***** [NRG] Iteration 7/30 (scale 0.090168440055560212) ***** [1] xi(6)=0.08948875527342767 xi_scaled(6)=0.9924620545535253 zeta(7)=0.0009382570069014953 [2] xi(6)=0.089475311597721 xi_scaled(6)=0.9923129594189262 zeta(7)=-0.0004680119952766248 Stats: nr=13 min=4 max=1673 Emax=8.002842652776263 nrkept=1802 nrkeptmult=1802 Total energy=-2.716793419025753 Egs=-1.233712768932374 Kept: 1802 out of 7940, ratio=0.227 =-0.002490433760225819 =1.002773037688978 Memory used: 158 MB Time elapsed: 18 s ***** [NRG] Iteration 8/30 (scale 0.063758715412299341) ***** [1] xi(7)=0.06351780259520157 xi_scaled(7)=0.9962214919867833 zeta(8)=0.0004905570532026717 [2] xi(7)=0.0635126040634993 xi_scaled(7)=0.9961399575382197 zeta(8)=-0.0002448111011111424 Stats: nr=13 min=4 max=1514 Emax=8.000924183821482 nrkept=1732 nrkeptmult=1732 Total energy=-2.789671254334291 Egs=-1.143025464632863 Kept: 1732 out of 7208, ratio=0.24 =-0.003870326714393915 =1.00375257602559 Memory used: 158 MB Time elapsed: 23 s ***** [NRG] Iteration 9/30 (scale 0.045084220027780106) ***** [1] xi(8)=0.04499901665233966 xi_scaled(8)=0.9981101286572566 zeta(9)=0.0002547349321112851 [2] xi(8)=0.0449970395780738 xi_scaled(8)=0.998066275746756 zeta(9)=-0.0001271598518550809 Stats: nr=13 min=3 max=1472 Emax=8.001185326526066 nrkept=1564 nrkeptmult=1564 Total energy=-2.8430326286086 Egs=-1.183593156129322 Kept: 1564 out of 6928, ratio=0.226 =-0.005761988519370593 =1.004440849831969 Memory used: 156 MB Time elapsed: 27 s ***** [NRG] Iteration 10/30 (scale 0.031879357706149671) ***** [1] xi(9)=0.03184925738488307 xi_scaled(9)=0.9990558052786366 zeta(10)=0.0001317653690442471 [2] xi(9)=0.03184851216043037 xi_scaled(9)=0.9990324288838055 zeta(10)=-6.578615838512191e-05 Stats: nr=13 min=2 max=1339 Emax=8.003857755137492 nrkept=1474 nrkeptmult=1474 Total energy=-2.88113533525977 Egs=-1.195215631456066 Kept: 1474 out of 6256, ratio=0.236 =-0.008191396143378118 =1.004560174399188 Memory used: 156 MB Time elapsed: 31 s ***** [NRG] Iteration 11/30 (scale 0.022542110013890053) ***** [1] xi(10)=0.02253148232878564 xi_scaled(10)=0.9995285408021758 zeta(11)=6.799115688012163e-05 [2] xi(10)=0.02253120312451252 xi_scaled(10)=0.9995161549042744 zeta(11)=-3.394931881791443e-05 Stats: nr=13 min=2 max=1272 Emax=8.001599985084793 nrkept=1379 nrkeptmult=1379 Total energy=-2.906638184100369 Egs=-1.131342577286892 Kept: 1379 out of 5896, ratio=0.234 =-0.01124404850006147 =1.003713272656203 Memory used: 188 MB Time elapsed: 34 s ***** [NRG] Iteration 12/30 (scale 0.015939678853074835) ***** [1] xi(11)=0.0159359274654443 xi_scaled(11)=0.9997646509904551 zeta(12)=3.502823574180884e-05 [2] xi(11)=0.01593582329823945 xi_scaled(11)=0.9997581159024015 zeta(12)=-1.749153341760182e-05 Stats: nr=13 min=1 max=1191 Emax=8.000152250555306 nrkept=1240 nrkeptmult=1240 Total energy=-2.926475168744932 Egs=-1.244503407340384 Kept: 1240 out of 5516, ratio=0.225 =-0.01509230877053168 =1.001563707601395 Memory used: 188 MB Time elapsed: 36 s ***** [NRG] Iteration 13/30 (scale 0.011271055006945026) ***** [1] xi(12)=0.0112697311344659 xi_scaled(12)=0.9998825422750302 zeta(13)=1.80250869454447e-05 [2] xi(12)=0.01126969239632032 xi_scaled(12)=0.999879105316772 zeta(13)=-9.001398643894551e-06 Stats: nr=13 min=2 max=1085 Emax=8.000270565663225 nrkept=1189 nrkeptmult=1189 Total energy=-2.938660377152476 Egs=-1.081106285084759 Kept: 1189 out of 4960, ratio=0.24 =-0.01982986516405835 =0.9979281819448332 Memory used: 188 MB Time elapsed: 38 s ***** [NRG] Iteration 14/30 (scale 0.0079698394265374176) ***** [1] xi(13)=0.007969372080228366 xi_scaled(13)=0.9999413606367658 zeta(14)=9.266198576101115e-06 [2] xi(13)=0.007969357715312994 xi_scaled(13)=0.9999395582271308 zeta(14)=-4.627566494347056e-06 Stats: nr=13 min=1 max=1044 Emax=8.001575406174084 nrkept=1069 nrkeptmult=1069 Total energy=-2.948952782991373 Egs=-1.291419473851132 Kept: 1069 out of 4756, ratio=0.225 =-0.02571542249614599 =0.9926156426619925 Memory used: 188 MB Time elapsed: 40 s ***** [NRG] Iteration 15/30 (scale 0.0056355275034725132) ***** [1] xi(14)=0.005635362680229735 xi_scaled(14)=0.9999707528278983 zeta(15)=4.759691060617694e-06 [2] xi(14)=0.005635357362683683 xi_scaled(14)=0.9999698092523326 zeta(15)=-2.377089711987165e-06 Stats: nr=13 min=1 max=949 Emax=8.001124075483418 nrkept=1040 nrkeptmult=1040 Total energy=-2.954794958089859 Egs=-1.036668722650413 Kept: 1040 out of 4276, ratio=0.243 =-0.03286529720752035 =0.9856845500660144 Memory used: 188 MB Time elapsed: 41 s ***** [NRG] Iteration 16/30 (scale 0.0039849197132687088) ***** [1] xi(15)=0.003984861459585825 xi_scaled(15)=0.9999853814663594 zeta(16)=2.443085340861396e-06 [2] xi(15)=0.003984859493431935 xi_scaled(15)=0.9999848880677386 zeta(16)=-1.220167577691143e-06 Stats: nr=13 min=1 max=920 Emax=8.004745154674369 nrkept=940 nrkeptmult=940 Total energy=-2.96010664899894 Egs=-1.332948036919004 Kept: 940 out of 4160, ratio=0.226 =-0.04140176170908096 =0.9770922052825843 Memory used: 188 MB Time elapsed: 42 s ***** [NRG] Iteration 17/30 (scale 0.0028177637517362566) ***** [1] xi(16)=0.002817743294671099 xi_scaled(16)=0.9999927399643973 zeta(17)=1.253075498918429e-06 [2] xi(16)=0.002817742568845102 xi_scaled(16)=0.9999924823750247 zeta(17)=-6.258509521546557e-07 Stats: nr=13 min=1 max=837 Emax=8.001541990330397 nrkept=937 nrkeptmult=937 Total energy=-2.962929050279222 Egs=-1.001645818795828 Kept: 937 out of 3760, ratio=0.249 =-0.05108263372523929 =0.9671623995465825 Memory used: 188 MB Time elapsed: 43 s ***** [NRG] Iteration 18/30 (scale 0.0019924598566343544) ***** [1] xi(17)=0.001992452528118197 xi_scaled(17)=0.9999963218751268 zeta(18)=6.423075116928596e-07 [2] xi(17)=0.001992452260591967 xi_scaled(17)=0.9999961876058069 zeta(18)=-3.208105561897044e-07 Stats: nr=13 min=1 max=835 Emax=8.000072494551048 nrkept=821 nrkeptmult=821 Total energy=-2.965649710205659 Egs=-1.365477912831532 Kept: 821 out of 3748, ratio=0.219 =-0.06158238170117109 =0.9562788920247663 Memory used: 188 MB Time elapsed: 44 s ***** [NRG] Iteration 19/30 (scale 0.0014088818758681283) ***** [1] xi(18)=0.001408879384878022 xi_scaled(18)=0.9999982319382846 zeta(19)=3.290458596460548e-07 [2] xi(18)=0.001408879286422986 xi_scaled(18)=0.9999981620566023 zeta(19)=-1.643513825046503e-07 Stats: nr=12 min=1 max=738 Emax=8.001787597657525 nrkept=821 nrkeptmult=821 Total energy=-2.967026809278363 Egs=-0.9774411157464614 Kept: 821 out of 3284, ratio=0.25 =-0.07186339822276097 =0.9455472059895121 Memory used: 188 MB Time elapsed: 45 s ***** [NRG] Iteration 20/30 (scale 0.0009962299283171772) ***** [1] xi(19)=0.0009962289399844534 xi_scaled(19)=0.9999990079270902 zeta(20)=1.684631618702276e-07 [2] xi(19)=0.0009962289038089221 xi_scaled(19)=0.9999989716146584 zeta(20)=-8.414582124737251e-08 Stats: nr=12 min=1 max=741 Emax=8.003725888232427 nrkept=718 nrkeptmult=718 Total energy=-2.968409297996406 Egs=-1.387720523893917 Kept: 718 out of 3284, ratio=0.219 =-0.0811599823219606 =0.9358021413223412 Memory used: 188 MB Time elapsed: 46 s ***** [NRG] Iteration 21/30 (scale 0.00070444093793406415) ***** [1] xi(20)=0.0007044406835014244 xi_scaled(20)=0.9999996388162213 zeta(21)=8.620338832946536e-08 [2] xi(20)=0.00070444067022216 xi_scaled(20)=0.9999996199654367 zeta(21)=-4.305881793574623e-08 Stats: nr=11 min=6 max=648 Emax=8.0034794102659 nrkept=725 nrkeptmult=725 Total energy=-2.969087391802029 Egs=-0.9625985219033435 Kept: 725 out of 2872, ratio=0.252 =-0.08862155875179718 =0.9279647971239254 Memory used: 188 MB Time elapsed: 46 s ***** [NRG] Iteration 22/30 (scale 0.0004981149641585886) ***** [1] xi(21)=0.0004981147660772499 xi_scaled(21)=0.9999996023381088 zeta(22)=4.408811218425423e-08 [2] xi(21)=0.0004981147612057366 xi_scaled(21)=0.9999995925582112 zeta(22)=-2.202261898041361e-08 Stats: nr=12 min=1 max=655 Emax=8.00552429875672 nrkept=633 nrkeptmult=633 Total energy=-2.9697853683914 Egs=-1.401235938675027 Kept: 633 out of 2900, ratio=0.218 =-0.09400638316294693 =0.9222911922797133 Memory used: 188 MB Time elapsed: 47 s ***** [NRG] Iteration 23/30 (scale 0.00035222046896703208) ***** [1] xi(22)=0.0003522204929041248 xi_scaled(22)=1.000000067960538 zeta(23)=2.25363798972969e-08 [2] xi(22)=0.0003522204911188212 xi_scaled(22)=1.000000062891828 zeta(23)=-1.125747161803027e-08 Stats: nr=11 min=5 max=570 Emax=8.003658450666173 nrkept=638 nrkeptmult=638 Total energy=-2.970121481917125 Egs=-0.9542702805173997 Kept: 638 out of 2532, ratio=0.252 =-0.09747156918115527 =0.9186390445494415 Memory used: 188 MB Time elapsed: 47 s ***** [NRG] Iteration 24/30 (scale 0.0002490574820792943) ***** [1] xi(23)=0.0002490573797256548 xi_scaled(23)=0.9999995890360786 zeta(24)=1.151441397747321e-08 [2] xi(23)=0.0002490573790720687 xi_scaled(23)=0.9999995864118405 zeta(24)=-5.751847908500562e-09 Stats: nr=12 min=1 max=586 Emax=8.002555721440046 nrkept=583 nrkeptmult=583 Total energy=-2.970472350182718 Egs=-1.408784280092113 Kept: 583 out of 2552, ratio=0.228 =-0.09948530388641454 =0.9165140995972424 Memory used: 188 MB Time elapsed: 47 s ***** [NRG] Iteration 25/30 (scale 0.00017611023448351604) ***** [1] xi(24)=0.0001761102919216407 xi_scaled(24)=1.000000326148704 zeta(25)=5.880540624247018e-09 [2] xi(24)=0.0001761102916826229 xi_scaled(24)=1.000000324791498 zeta(25)=-2.937590775751196e-09 Stats: nr=11 min=5 max=523 Emax=8.00396012439286 nrkept=587 nrkeptmult=587 Total energy=-2.970639628252962 Egs=-0.9498486600440683 Kept: 587 out of 2332, ratio=0.252 =-0.1005972243138016 =0.9153403465159269 Memory used: 188 MB Time elapsed: 48 s ***** [NRG] Iteration 26/30 (scale 0.00012452874103964715) ***** [1] xi(25)=0.0001245286518620078 xi_scaled(25)=0.9999992838790576 zeta(26)=3.001824186692341e-09 [2] xi(25)=0.0001245286517746976 xi_scaled(25)=0.9999992831779329 zeta(26)=-1.499572337980045e-09 Stats: nr=11 min=4 max=533 Emax=8.002849638889231 nrkept=555 nrkeptmult=555 Total energy=-2.970815560830131 Egs=-1.412786925330434 Kept: 555 out of 2348, ratio=0.236 =-0.101170232651592 =0.9147355035329173 Memory used: 188 MB Time elapsed: 48 s ***** [NRG] Iteration 27/30 (scale 8.8055117241758019e-05) ***** [1] xi(26)=8.805517931215593e-05 xi_scaled(26)=1.000000704903927 zeta(27)=1.531731508532987e-09 [2] xi(26)=8.805517928028327e-05 xi_scaled(26)=1.000000704541964 zeta(27)=-7.651958729303233e-10 Stats: nr=11 min=5 max=498 Emax=8.000651863773077 nrkept=575 nrkeptmult=575 Total energy=-2.970898999340501 Egs=-0.9475713959981208 Kept: 575 out of 2220, ratio=0.259 =-0.1014699849904978 =0.9144190824896263 Memory used: 188 MB Time elapsed: 48 s ***** [NRG] Iteration 28/30 (scale 6.2264370519823575e-05) ***** [1] xi(27)=6.226428210041184e-05 xi_scaled(27)=0.9999985799356679 zeta(28)=7.812668570664312e-10 [2] xi(27)=6.226428208878024e-05 xi_scaled(27)=0.9999985797488581 zeta(28)=-3.902984934884317e-10 Stats: nr=11 min=4 max=521 Emax=8.000706387011371 nrkept=542 nrkeptmult=542 Total energy=-2.970987093976504 Egs=-1.414848255404355 Kept: 542 out of 2300, ratio=0.236 =-0.1016184578292342 =0.9142621939582564 Memory used: 188 MB Time elapsed: 49 s ***** [NRG] Iteration 29/30 (scale 4.402755862087901e-05) ***** [1] xi(28)=4.402762087179633e-05 xi_scaled(28)=1.000001413907999 zeta(29)=3.983327670125058e-10 [2] xi(28)=4.402762086755495e-05 xi_scaled(28)=1.000001413811665 zeta(29)=-1.989989119426271e-10 Stats: nr=11 min=5 max=485 Emax=8.000336003530288 nrkept=566 nrkeptmult=566 Total energy=-2.971028762427105 Egs=-0.946417469107714 Kept: 566 out of 2168, ratio=0.261 =-0.1016957675545225 =0.9141805020867385 Memory used: 188 MB Time elapsed: 49 s ***** [NRG] Iteration 30/30 (scale 3.1132185259911788e-05) ***** [1] xi(29)=3.113209720851037e-05 xi_scaled(29)=0.9999971716922317 zeta(30)=2.030077406347719e-10 [2] xi(29)=3.113209720696517e-05 xi_scaled(29)=0.9999971716425982 zeta(30)=-1.014201366479147e-10 Stats: nr=11 min=4 max=510 Emax=8.000082194883049 nrkept=2264 nrkeptmult=2264 Total energy=-2.971072842234436 Egs=-1.415891848350587 Kept: 2264 out of 2264, ratio=1 =-0.1017327586421816 =0.9141415604604822 Memory used: 188 MB Time elapsed: 49 s ** Iteration completed. Total energy: -2.971072842234436 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 0.2569003401443908 (-1) 4 states 0.08309696598719359 0.1671371588924826 0.2604848909009734 0.4370338542662826 (0) 6 states 0 0.1066147786848625 0.1707217096490652 0.2632304801090853 0.3531011115566917 0.4572013964481746 (1) 4 states 0.02357294071027351 0.1839037618963437 0.3053914749999287 0.3732135257259788 (2) 1 states 0.2260647567871871 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)=0.5414205534174034 xi_scaled(0)=0.7505682601969568 zeta(1)=0.02206118955541444 [2] xi(0)=0.5441474364290095 xi_scaled(0)=0.75434852273938 zeta(1)=-0.01123144410605264 Stats: nr=7 min=1 max=20 Emax=3.132062633060136 nrkept=64 nrkeptmult=64 Kept: 64 out of 64, ratio=1 Memory used: 153 MB Time elapsed: 60 s ***** [DM] Iteration 2/30 (scale 0.51006972329839473) ***** [1] xi(1)=0.4165168229929107 xi_scaled(1)=0.8165880152608963 zeta(2)=0.0132189641646095 [2] xi(1)=0.4158983826894648 xi_scaled(1)=0.8153755529734923 zeta(2)=-0.006516747788940903 Stats: nr=9 min=1 max=70 Emax=5.958882468678606 nrkept=256 nrkeptmult=256 Kept: 256 out of 256, ratio=1 Memory used: 153 MB Time elapsed: 60 s ***** [DM] Iteration 3/30 (scale 0.36067376022224085) ***** [1] xi(2)=0.3224288405850821 xi_scaled(2)=0.893962567131047 zeta(3)=0.009291188863137149 [2] xi(2)=0.3221270800530505 xi_scaled(2)=0.8931259092831191 zeta(3)=-0.004603445200205127 Stats: nr=11 min=1 max=252 Emax=8.014947538348608 nrkept=881 nrkeptmult=881 Kept: 881 out of 1024, ratio=0.86 Memory used: 153 MB Time elapsed: 60 s ***** [DM] Iteration 4/30 (scale 0.25503486164919736) ***** [1] xi(3)=0.2405229899714616 xi_scaled(3)=0.9430984784437157 zeta(4)=0.00574708060228063 [2] xi(3)=0.2403544035967568 xi_scaled(3)=0.9424374457769868 zeta(4)=-0.002854806562905148 Stats: nr=13 min=1 max=784 Emax=8.182197275683119 nrkept=1697 nrkeptmult=1697 Kept: 1697 out of 3524, ratio=0.482 Memory used: 171 MB Time elapsed: 61 s ***** [DM] Iteration 5/30 (scale 0.18033688011112042) ***** [1] xi(4)=0.1750237783476377 xi_scaled(4)=0.9705379079409111 zeta(5)=0.003265280351048169 [2] xi(4)=0.1749442502964377 xi_scaled(4)=0.9700969107851932 zeta(5)=-0.001625251279637835 Stats: nr=13 min=4 max=1429 Emax=8.011011860205647 nrkept=1845 nrkeptmult=1845 Kept: 1845 out of 6788, ratio=0.272 Memory used: 342 MB Time elapsed: 66 s ***** [DM] Iteration 6/30 (scale 0.12751743082459868) ***** [1] xi(5)=0.1256083192507204 xi_scaled(5)=0.9850286226633264 zeta(6)=0.001771688419690766 [2] xi(5)=0.1255746457768445 xi_scaled(5)=0.9847645530874399 zeta(6)=-0.0008830167131988428 Stats: nr=13 min=5 max=1548 Emax=8.001468079915956 nrkept=1985 nrkeptmult=1985 Kept: 1985 out of 7380, ratio=0.269 Memory used: 342 MB Time elapsed: 71 s ***** [DM] Iteration 7/30 (scale 0.090168440055560212) ***** [1] xi(6)=0.08948875527342767 xi_scaled(6)=0.9924620545535253 zeta(7)=0.0009382570069014953 [2] xi(6)=0.089475311597721 xi_scaled(6)=0.9923129594189262 zeta(7)=-0.0004680119952766248 Stats: nr=13 min=4 max=1673 Emax=8.002842652776263 nrkept=1802 nrkeptmult=1802 Kept: 1802 out of 7940, ratio=0.227 Memory used: 491 MB Time elapsed: 78 s ***** [DM] Iteration 8/30 (scale 0.063758715412299341) ***** [1] xi(7)=0.06351780259520157 xi_scaled(7)=0.9962214919867833 zeta(8)=0.0004905570532026717 [2] xi(7)=0.0635126040634993 xi_scaled(7)=0.9961399575382197 zeta(8)=-0.0002448111011111424 Stats: nr=13 min=4 max=1514 Emax=8.000924183821482 nrkept=1732 nrkeptmult=1732 Kept: 1732 out of 7208, ratio=0.24 Memory used: 358 MB Time elapsed: 83 s ***** [DM] Iteration 9/30 (scale 0.045084220027780106) ***** [1] xi(8)=0.04499901665233966 xi_scaled(8)=0.9981101286572566 zeta(9)=0.0002547349321112851 [2] xi(8)=0.0449970395780738 xi_scaled(8)=0.998066275746756 zeta(9)=-0.0001271598518550809 Stats: nr=13 min=3 max=1472 Emax=8.001185326526066 nrkept=1564 nrkeptmult=1564 Kept: 1564 out of 6928, ratio=0.226 Memory used: 332 MB Time elapsed: 87 s ***** [DM] Iteration 10/30 (scale 0.031879357706149671) ***** [1] xi(9)=0.03184925738488307 xi_scaled(9)=0.9990558052786366 zeta(10)=0.0001317653690442471 [2] xi(9)=0.03184851216043037 xi_scaled(9)=0.9990324288838055 zeta(10)=-6.578615838512191e-05 Stats: nr=13 min=2 max=1339 Emax=8.003857755137492 nrkept=1474 nrkeptmult=1474 Kept: 1474 out of 6256, ratio=0.236 Memory used: 354 MB Time elapsed: 91 s ***** [DM] Iteration 11/30 (scale 0.022542110013890053) ***** [1] xi(10)=0.02253148232878564 xi_scaled(10)=0.9995285408021758 zeta(11)=6.799115688012163e-05 [2] xi(10)=0.02253120312451252 xi_scaled(10)=0.9995161549042744 zeta(11)=-3.394931881791443e-05 Stats: nr=13 min=2 max=1272 Emax=8.001599985084793 nrkept=1379 nrkeptmult=1379 Kept: 1379 out of 5896, ratio=0.234 Memory used: 354 MB Time elapsed: 94 s ***** [DM] Iteration 12/30 (scale 0.015939678853074835) ***** [1] xi(11)=0.0159359274654443 xi_scaled(11)=0.9997646509904551 zeta(12)=3.502823574180884e-05 [2] xi(11)=0.01593582329823945 xi_scaled(11)=0.9997581159024015 zeta(12)=-1.749153341760182e-05 Stats: nr=13 min=1 max=1191 Emax=8.000152250555306 nrkept=1240 nrkeptmult=1240 Kept: 1240 out of 5516, ratio=0.225 Memory used: 354 MB Time elapsed: 96 s ***** [DM] Iteration 13/30 (scale 0.011271055006945026) ***** [1] xi(12)=0.0112697311344659 xi_scaled(12)=0.9998825422750302 zeta(13)=1.80250869454447e-05 [2] xi(12)=0.01126969239632032 xi_scaled(12)=0.999879105316772 zeta(13)=-9.001398643894551e-06 Stats: nr=13 min=2 max=1085 Emax=8.000270565663225 nrkept=1189 nrkeptmult=1189 Kept: 1189 out of 4960, ratio=0.24 Memory used: 354 MB Time elapsed: 98 s ***** [DM] Iteration 14/30 (scale 0.0079698394265374176) ***** [1] xi(13)=0.007969372080228366 xi_scaled(13)=0.9999413606367658 zeta(14)=9.266198576101115e-06 [2] xi(13)=0.007969357715312994 xi_scaled(13)=0.9999395582271308 zeta(14)=-4.627566494347056e-06 Stats: nr=13 min=1 max=1044 Emax=8.001575406174084 nrkept=1069 nrkeptmult=1069 Kept: 1069 out of 4756, ratio=0.225 Memory used: 354 MB Time elapsed: 101 s ***** [DM] Iteration 15/30 (scale 0.0056355275034725132) ***** [1] xi(14)=0.005635362680229735 xi_scaled(14)=0.9999707528278983 zeta(15)=4.759691060617694e-06 [2] xi(14)=0.005635357362683683 xi_scaled(14)=0.9999698092523326 zeta(15)=-2.377089711987165e-06 Stats: nr=13 min=1 max=949 Emax=8.001124075483418 nrkept=1040 nrkeptmult=1040 Kept: 1040 out of 4276, ratio=0.243 Memory used: 354 MB Time elapsed: 102 s ***** [DM] Iteration 16/30 (scale 0.0039849197132687088) ***** [1] xi(15)=0.003984861459585825 xi_scaled(15)=0.9999853814663594 zeta(16)=2.443085340861396e-06 [2] xi(15)=0.003984859493431935 xi_scaled(15)=0.9999848880677386 zeta(16)=-1.220167577691143e-06 Stats: nr=13 min=1 max=920 Emax=8.004745154674369 nrkept=940 nrkeptmult=940 Kept: 940 out of 4160, ratio=0.226 Memory used: 354 MB Time elapsed: 104 s ***** [DM] Iteration 17/30 (scale 0.0028177637517362566) ***** [1] xi(16)=0.002817743294671099 xi_scaled(16)=0.9999927399643973 zeta(17)=1.253075498918429e-06 [2] xi(16)=0.002817742568845102 xi_scaled(16)=0.9999924823750247 zeta(17)=-6.258509521546557e-07 Stats: nr=13 min=1 max=837 Emax=8.001541990330397 nrkept=937 nrkeptmult=937 Kept: 937 out of 3760, ratio=0.249 Memory used: 354 MB Time elapsed: 105 s ***** [DM] Iteration 18/30 (scale 0.0019924598566343544) ***** [1] xi(17)=0.001992452528118197 xi_scaled(17)=0.9999963218751268 zeta(18)=6.423075116928596e-07 [2] xi(17)=0.001992452260591967 xi_scaled(17)=0.9999961876058069 zeta(18)=-3.208105561897044e-07 Stats: nr=13 min=1 max=835 Emax=8.000072494551048 nrkept=821 nrkeptmult=821 Kept: 821 out of 3748, ratio=0.219 Memory used: 354 MB Time elapsed: 106 s ***** [DM] Iteration 19/30 (scale 0.0014088818758681283) ***** [1] xi(18)=0.001408879384878022 xi_scaled(18)=0.9999982319382846 zeta(19)=3.290458596460548e-07 [2] xi(18)=0.001408879286422986 xi_scaled(18)=0.9999981620566023 zeta(19)=-1.643513825046503e-07 Stats: nr=12 min=1 max=738 Emax=8.001787597657525 nrkept=821 nrkeptmult=821 Kept: 821 out of 3284, ratio=0.25 Memory used: 354 MB Time elapsed: 107 s ***** [DM] Iteration 20/30 (scale 0.0009962299283171772) ***** [1] xi(19)=0.0009962289399844534 xi_scaled(19)=0.9999990079270902 zeta(20)=1.684631618702276e-07 [2] xi(19)=0.0009962289038089221 xi_scaled(19)=0.9999989716146584 zeta(20)=-8.414582124737251e-08 Stats: nr=12 min=1 max=741 Emax=8.003725888232427 nrkept=718 nrkeptmult=718 Kept: 718 out of 3284, ratio=0.219 Memory used: 354 MB Time elapsed: 107 s ***** [DM] Iteration 21/30 (scale 0.00070444093793406415) ***** [1] xi(20)=0.0007044406835014244 xi_scaled(20)=0.9999996388162213 zeta(21)=8.620338832946536e-08 [2] xi(20)=0.00070444067022216 xi_scaled(20)=0.9999996199654367 zeta(21)=-4.305881793574623e-08 Stats: nr=11 min=6 max=648 Emax=8.0034794102659 nrkept=725 nrkeptmult=725 Kept: 725 out of 2872, ratio=0.252 Memory used: 354 MB Time elapsed: 108 s ***** [DM] Iteration 22/30 (scale 0.0004981149641585886) ***** [1] xi(21)=0.0004981147660772499 xi_scaled(21)=0.9999996023381088 zeta(22)=4.408811218425423e-08 [2] xi(21)=0.0004981147612057366 xi_scaled(21)=0.9999995925582112 zeta(22)=-2.202261898041361e-08 Stats: nr=12 min=1 max=655 Emax=8.00552429875672 nrkept=633 nrkeptmult=633 Kept: 633 out of 2900, ratio=0.218 Memory used: 354 MB Time elapsed: 109 s ***** [DM] Iteration 23/30 (scale 0.00035222046896703208) ***** [1] xi(22)=0.0003522204929041248 xi_scaled(22)=1.000000067960538 zeta(23)=2.25363798972969e-08 [2] xi(22)=0.0003522204911188212 xi_scaled(22)=1.000000062891828 zeta(23)=-1.125747161803027e-08 Stats: nr=11 min=5 max=570 Emax=8.003658450666173 nrkept=638 nrkeptmult=638 Kept: 638 out of 2532, ratio=0.252 Memory used: 354 MB Time elapsed: 109 s ***** [DM] Iteration 24/30 (scale 0.0002490574820792943) ***** [1] xi(23)=0.0002490573797256548 xi_scaled(23)=0.9999995890360786 zeta(24)=1.151441397747321e-08 [2] xi(23)=0.0002490573790720687 xi_scaled(23)=0.9999995864118405 zeta(24)=-5.751847908500562e-09 Stats: nr=12 min=1 max=586 Emax=8.002555721440046 nrkept=583 nrkeptmult=583 Kept: 583 out of 2552, ratio=0.228 Memory used: 354 MB Time elapsed: 110 s ***** [DM] Iteration 25/30 (scale 0.00017611023448351604) ***** [1] xi(24)=0.0001761102919216407 xi_scaled(24)=1.000000326148704 zeta(25)=5.880540624247018e-09 [2] xi(24)=0.0001761102916826229 xi_scaled(24)=1.000000324791498 zeta(25)=-2.937590775751196e-09 Stats: nr=11 min=5 max=523 Emax=8.00396012439286 nrkept=587 nrkeptmult=587 Kept: 587 out of 2332, ratio=0.252 Memory used: 354 MB Time elapsed: 110 s ***** [DM] Iteration 26/30 (scale 0.00012452874103964715) ***** [1] xi(25)=0.0001245286518620078 xi_scaled(25)=0.9999992838790576 zeta(26)=3.001824186692341e-09 [2] xi(25)=0.0001245286517746976 xi_scaled(25)=0.9999992831779329 zeta(26)=-1.499572337980045e-09 Stats: nr=11 min=4 max=533 Emax=8.002849638889231 nrkept=555 nrkeptmult=555 Kept: 555 out of 2348, ratio=0.236 Memory used: 354 MB Time elapsed: 110 s ***** [DM] Iteration 27/30 (scale 8.8055117241758019e-05) ***** [1] xi(26)=8.805517931215593e-05 xi_scaled(26)=1.000000704903927 zeta(27)=1.531731508532987e-09 [2] xi(26)=8.805517928028327e-05 xi_scaled(26)=1.000000704541964 zeta(27)=-7.651958729303233e-10 Stats: nr=11 min=5 max=498 Emax=8.000651863773077 nrkept=575 nrkeptmult=575 Kept: 575 out of 2220, ratio=0.259 Memory used: 354 MB Time elapsed: 111 s ***** [DM] Iteration 28/30 (scale 6.2264370519823575e-05) ***** [1] xi(27)=6.226428210041184e-05 xi_scaled(27)=0.9999985799356679 zeta(28)=7.812668570664312e-10 [2] xi(27)=6.226428208878024e-05 xi_scaled(27)=0.9999985797488581 zeta(28)=-3.902984934884317e-10 Stats: nr=11 min=4 max=521 Emax=8.000706387011371 nrkept=542 nrkeptmult=542 Kept: 542 out of 2300, ratio=0.236 Memory used: 354 MB Time elapsed: 111 s ***** [DM] Iteration 29/30 (scale 4.402755862087901e-05) ***** [1] xi(28)=4.402762087179633e-05 xi_scaled(28)=1.000001413907999 zeta(29)=3.983327670125058e-10 [2] xi(28)=4.402762086755495e-05 xi_scaled(28)=1.000001413811665 zeta(29)=-1.989989119426271e-10 Stats: nr=11 min=5 max=485 Emax=8.000336003530288 nrkept=566 nrkeptmult=566 Kept: 566 out of 2168, ratio=0.261 Memory used: 354 MB Time elapsed: 111 s ***** [DM] Iteration 30/30 (scale 3.1132185259911788e-05) ***** [1] xi(29)=3.113209720851037e-05 xi_scaled(29)=0.9999971716922317 zeta(30)=2.030077406347719e-10 [2] xi(29)=3.113209720696517e-05 xi_scaled(29)=0.9999971716425982 zeta(30)=-1.014201366479147e-10 Stats: nr=11 min=4 max=510 Emax=8.000082194883049 nrkept=2264 nrkeptmult=2264 Kept: 2264 out of 2264, ratio=1 Memory used: 354 MB Time elapsed: 112 s ** Iteration completed. Spectrum: A_d_d-A_d_d FDM [A_d_d-A_d_d] pos=0.4414062827309417 neg=0.5585937172687456 sum= 0.9999999999996874 mu1=-0.00733106384507063 mu2=0.03255887702622662 mu3=0.0005362207642590211 mu4=0.01056060015306864 f=0.4414062827309417 b=0.4414062827309417 Spectrum: A_d_u-A_d_u FDM [A_d_u-A_d_u] pos=0.6440159692164823 neg=0.3559840307830954 sum= 0.9999999999995777 mu1=0.002983738272400786 mu2=0.002573857075920926 mu3=-4.773231178369444e-05 mu4=0.0006568732505080426 f=0.6440159692164823 b=0.6440159692164823 Spectrum: self_d_d-A_d_d FDM [self_d_d-A_d_d] pos=-0.000536148136441312 neg=-0.006664650324377676 sum= -0.007200798460818988 mu1=0.0006327405004304441 mu2=-0.000235802813401897 mu3=3.87244339503205e-05 mu4=-7.508760246158159e-05 f=-0.000536148136441312 b=-0.000536148136441312 Spectrum: self_d_u-A_d_u FDM [self_d_u-A_d_u] pos=0.004529094025644533 neg=-0.001599408162174567 sum= 0.002929685863469966 mu1=0.0006329154086911128 mu2=4.384846907103391e-05 mu3=5.931236381853464e-05 mu4=1.170904895054516e-05 f=0.004529094025644533 b=0.004529094025644533 Memory usage report =================== after diag: 502968 kB after recalc: 560524 kB after split: 502968 kB after trim: 502968 kB after trunc: 502968 kB diag_h: 241200 kB Peak usage: 560524 kB Timing report ============= All: 112 s DM: 1 s FDM: 9 s diag: 42 s recalc d: 29 s recalc s: 1 s spec d: 23 s Other: 4 s