NRG Ljubljana 2.4.3.31 - (c) Rok Zitko Timestamp: Mon Nov 13 12:55:52 2017 Compiled on Aug 14 2018 at 10:37:37 Compiled-in symmetry types: ANYJ DBLISOSZ DBLSU2 ISO ISO2 ISO2LR ISOLR ISOSZ ISOSZLR NONE P PP QJ QS QSC3 QSLR QST QSTZ QSZ QSZLR QSZTZ SL SL3 SPSU2 SPSU2C3 SPSU2LR SPSU2T SPU1 SPU1LR SU2 U1 No MPI: single node calculation. [OMP] Max. number of threads: 1 [OMP] Number of processors: 32 [OMP] Dynamic thread adjustment: 0 [OMP] Nested parallelism: 0 Using Intel MKL library 11.3.2 Processor optimization: Intel(R) Advanced Vector Extensions 2 (Intel(R) AVX2) enabled processors max_threads=1 blas_max_threads=1 dynamic=1 workdir=. substeps=0 Ninit=0 Lambda=2 strategy=kept lastall=1 lastalloverride=0 z=0.75 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 0.218514543746074 (-1 0) 2 states 0.07319174115500551 0.3712270258191973 (-1 2) 2 states 0.1400886954312106 0.2203383917717631 (0 -1) 1 states 0.2259042232281288 (0 1) 4 states 0 0.09229099251866342 0.2973307521083924 0.387226566686299 (0 3) 1 states 0.1419125434568996 (1 0) 2 states 0.1556377466546414 0.2607834774557399 (1 2) 2 states 0.01914570252362667 0.3132838418155254 (2 1) 1 states 0.1905170008822525 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) =-7.104561666596471e-06 =1.000010926411199 ***** [NRG] Iteration 1/30 (scale 0.85783160370214839) ***** [1] xi(0)=0.5832220802864937 xi_scaled(0)=0.6798794515957201 zeta(1)=0.01486737170634312 [2] xi(0)=0.5861865402330423 xi_scaled(0)=0.6833352113669325 zeta(1)=-0.007702481269927983 Stats: nr=16 min=1 max=9 Emax=2.823727882900225 nrkept=64 nrkeptmult=64 Total energy=-1.22368399091122 Egs=-1.137256109324711 Kept: 64 out of 64, ratio=1 =-1.854884329477309e-05 =1.000028257686449 Memory used: 46 MB Time elapsed: 0 s ***** [NRG] Iteration 2/30 (scale 0.6065785440939202) ***** [1] xi(1)=0.5063486662349005 xi_scaled(1)=0.8347619136302643 zeta(2)=0.01463248855617475 [2] xi(1)=0.5058693287676141 xi_scaled(1)=0.8339716821393 zeta(2)=-0.007214519043578845 Stats: nr=25 min=1 max=36 Emax=5.627569252882121 nrkept=256 nrkeptmult=256 Total energy=-1.719487185203229 Egs=-0.8173767422529223 Kept: 256 out of 256, ratio=1 =-4.890029176427848e-05 =1.000073474067042 Memory used: 54 MB Time elapsed: 0 s ***** [NRG] Iteration 3/30 (scale 0.4289158018510742) ***** [1] xi(2)=0.4067244402854621 xi_scaled(2)=0.9482617299949296 zeta(3)=0.01412960197069377 [2] xi(2)=0.4063867330284142 xi_scaled(2)=0.9474743790612721 zeta(3)=-0.006998794269532971 Stats: nr=36 min=1 max=100 Emax=8.003099245910944 nrkept=937 nrkeptmult=937 Total energy=-2.291624229516506 Egs=-1.333914586135792 Kept: 937 out of 1024, ratio=0.915 =-0.0001256128005765538 =1.000178158379997 Memory used: 70 MB Time elapsed: 0 s ***** [NRG] Iteration 4/30 (scale 0.3032892720469601) ***** [1] xi(3)=0.2953856419400667 xi_scaled(3)=0.9739402912158739 zeta(4)=0.008558487117035435 [2] xi(3)=0.2951073731950811 xi_scaled(3)=0.9730227884532225 zeta(4)=-0.004244886085786247 Stats: nr=49 min=1 max=355 Emax=8.07508290756542 nrkept=1697 nrkeptmult=1697 Total energy=-2.594552980909228 Egs=-0.9988112977033268 Kept: 1697 out of 3748, ratio=0.453 =-0.0002753996465565047 =1.000392888130683 Memory used: 78 MB Time elapsed: 0 s ***** [NRG] Iteration 5/30 (scale 0.2144579009255371) ***** [1] xi(4)=0.2103885002875906 xi_scaled(4)=0.9810247110487224 zeta(5)=0.004630569491616312 [2] xi(4)=0.2102544783106441 xi_scaled(4)=0.9803997773140914 zeta(5)=-0.002302029981308273 Stats: nr=60 min=2 max=515 Emax=8.000318346671719 nrkept=1937 nrkeptmult=1937 Total energy=-2.871758914864467 Egs=-1.292589047821974 Kept: 1937 out of 6788, ratio=0.285 =-0.0005849269212056019 =1.000796898864289 Memory used: 97 MB Time elapsed: 1 s ***** [NRG] Iteration 6/30 (scale 0.15164463602348005) ***** [1] xi(5)=0.1499266500029919 xi_scaled(5)=0.9886709740249422 zeta(6)=0.00247224685889207 [2] xi(5)=0.1498714729973642 xi_scaled(5)=0.9883071167394187 zeta(6)=-0.001231265033452199 Stats: nr=69 min=1 max=663 Emax=8.001597985372783 nrkept=2013 nrkeptmult=2013 Total energy=-3.034287236102748 Egs=-1.071770987093248 Kept: 2013 out of 7748, ratio=0.26 =-0.001081096694515825 =1.001392481508517 Memory used: 95 MB Time elapsed: 2 s ***** [NRG] Iteration 7/30 (scale 0.10722895046276855) ***** [1] xi(6)=0.1065869687718674 xi_scaled(6)=0.9940129816795696 zeta(7)=0.001304088527270567 [2] xi(6)=0.106565134574845 xi_scaled(6)=0.9938093594588151 zeta(7)=-0.000650195243978738 Stats: nr=60 min=2 max=611 Emax=8.000098621421175 nrkept=1848 nrkeptmult=1848 Total energy=-3.168181472033409 Egs=-1.248676177028805 Kept: 1848 out of 8052, ratio=0.23 =-0.001876297719917124 =1.002219196674305 Memory used: 111 MB Time elapsed: 3 s ***** [NRG] Iteration 8/30 (scale 0.075822318011740025) ***** [1] xi(7)=0.07559139122972509 xi_scaled(7)=0.9969543692665901 zeta(8)=0.0006811520614775224 [2] xi(7)=0.07558295098084918 xi_scaled(7)=0.9968430531119639 zeta(8)=-0.0003398262809756815 Stats: nr=69 min=1 max=632 Emax=8.000526136174201 nrkept=1815 nrkeptmult=1815 Total energy=-3.253995961717496 Egs=-1.131784043727069 Kept: 1815 out of 7392, ratio=0.246 =-0.003025117435424559 =1.003191806550579 Memory used: 111 MB Time elapsed: 4 s ***** [NRG] Iteration 9/30 (scale 0.053614475231384275) ***** [1] xi(8)=0.05353238139362482 xi_scaled(8)=0.998468812062318 zeta(9)=0.0003536534246597364 [2] xi(8)=0.05352916816065354 xi_scaled(8)=0.9984088798712927 zeta(9)=-0.0001765020855676344 Stats: nr=60 min=1 max=553 Emax=8.000058719241114 nrkept=1639 nrkeptmult=1639 Total energy=-3.318176897186234 Egs=-1.197082228106328 Kept: 1639 out of 7260, ratio=0.226 =-0.004636040994534936 =1.004002528795821 Memory used: 89 MB Time elapsed: 4 s ***** [NRG] Iteration 10/30 (scale 0.037911159005870013) ***** [1] xi(9)=0.03788210925249075 xi_scaled(9)=0.9992337413537065 zeta(10)=0.0001829664530182751 [2] xi(9)=0.03788089727277254 xi_scaled(9)=0.9992017724097333 zeta(10)=-9.133496338407834e-05 Stats: nr=67 min=1 max=570 Emax=8.008869473458287 nrkept=1531 nrkeptmult=1531 Total energy=-3.363057203434256 Egs=-1.183828387865241 Kept: 1531 out of 6556, ratio=0.234 =-0.006700830522966856 =1.004486923429133 Memory used: 89 MB Time elapsed: 5 s ***** [NRG] Iteration 11/30 (scale 0.026807237615692137) ***** [1] xi(10)=0.02679697974109821 xi_scaled(10)=0.9996173468247276 zeta(11)=9.444866296630359e-05 [2] xi(10)=0.02679652527735041 xi_scaled(10)=0.9996003938005362 zeta(11)=-4.71540642916327e-05 Stats: nr=60 min=1 max=479 Emax=8.001953304070845 nrkept=1422 nrkeptmult=1422 Total energy=-3.393720926060432 Egs=-1.143859843590403 Kept: 1422 out of 6124, ratio=0.232 =-0.009336843159552142 =1.00418044631276 Memory used: 90 MB Time elapsed: 6 s ***** [NRG] Iteration 12/30 (scale 0.018955579502935006) ***** [1] xi(11)=0.01895196104153732 xi_scaled(11)=0.9998091083737571 zeta(12)=4.868003640573458e-05 [2] xi(11)=0.01895179131349697 xi_scaled(11)=0.9998001543852852 zeta(12)=-2.43059365384887e-05 Stats: nr=61 min=1 max=511 Emax=8.002451302731341 nrkept=1294 nrkeptmult=1294 Total energy=-3.417102733054005 Egs=-1.233505258436047 Kept: 1294 out of 5688, ratio=0.227 =-0.01269241375484972 =1.002747333693632 Memory used: 98 MB Time elapsed: 6 s ***** [NRG] Iteration 13/30 (scale 0.013403618807846069) ***** [1] xi(12)=0.01340234306660555 xi_scaled(12)=0.9999048211338442 zeta(13)=2.506092268325566e-05 [2] xi(12)=0.01340227986922615 xi_scaled(12)=0.9999001061848214 zeta(13)=-1.251370485410848e-05 Stats: nr=60 min=1 max=407 Emax=8.000714964180396 nrkept=1231 nrkeptmult=1231 Total energy=-3.431742115158487 Egs=-1.092196242996188 Kept: 1231 out of 5176, ratio=0.238 =-0.01679768810704943 =0.9999736407630956 Memory used: 98 MB Time elapsed: 6 s ***** [NRG] Iteration 14/30 (scale 0.0094777897514675032) ***** [1] xi(13)=0.009477340097275746 xi_scaled(13)=0.9999525570619787 zeta(14)=1.288913204510571e-05 [2] xi(13)=0.009477316623268431 xi_scaled(13)=0.9999500803234216 zeta(14)=-6.436264243771284e-06 Stats: nr=59 min=1 max=448 Emax=8.002766556059932 nrkept=1114 nrkeptmult=1114 Total energy=-3.443888957124296 Egs=-1.281611249492786 Kept: 1114 out of 4924, ratio=0.226 =-0.02193314325253785 =0.9956409980960302 Memory used: 98 MB Time elapsed: 7 s ***** [NRG] Iteration 15/30 (scale 0.0067018094039230343) ***** [1] xi(14)=0.006701650940085609 xi_scaled(14)=0.9999763550665388 zeta(15)=6.623445434345812e-06 [2] xi(14)=0.006701642238803535 xi_scaled(14)=0.9999750567183541 zeta(15)=-3.307592307204297e-06 Stats: nr=58 min=1 max=359 Emax=8.004656824627034 nrkept=1081 nrkeptmult=1081 Total energy=-3.450894664900364 Egs=-1.045345719913644 Kept: 1081 out of 4456, ratio=0.243 =-0.02822807837287697 =0.9897261368382285 Memory used: 98 MB Time elapsed: 7 s ***** [NRG] Iteration 16/30 (scale 0.0047388948757337516) ***** [1] xi(15)=0.00473883903725989 xi_scaled(15)=0.9999882169840593 zeta(16)=3.401045956313668e-06 [2] xi(15)=0.004738835817862407 xi_scaled(15)=0.9999875376278874 zeta(16)=-1.698463241673699e-06 Stats: nr=56 min=1 max=392 Emax=8.000612853929532 nrkept=973 nrkeptmult=973 Total energy=-3.457176128195014 Egs=-1.325512268021672 Kept: 973 out of 4324, ratio=0.225 =-0.0358656314405343 =0.9821585952811471 Memory used: 98 MB Time elapsed: 7 s ***** [NRG] Iteration 17/30 (scale 0.0033509047019615172) ***** [1] xi(16)=0.003350885025469276 xi_scaled(16)=0.9999941280060189 zeta(17)=1.745154921520399e-06 [2] xi(16)=0.003350883836166598 xi_scaled(16)=0.999993773086144 zeta(17)=-8.715490500268301e-07 Stats: nr=58 min=1 max=321 Emax=8.001177763461438 nrkept=961 nrkeptmult=961 Total energy=-3.460550819107076 Egs=-1.007098444216034 Kept: 961 out of 3892, ratio=0.247 =-0.04473701453053915 =0.9731538277281159 Memory used: 98 MB Time elapsed: 8 s ***** [NRG] Iteration 18/30 (scale 0.0023694474378668758) ***** [1] xi(17)=0.002369440505166995 xi_scaled(17)=0.9999970741280142 zeta(18)=8.948859458870479e-07 [2] xi(17)=0.002369440066577443 xi_scaled(17)=0.9999968890259751 zeta(18)=-4.46929157153939e-07 Stats: nr=55 min=1 max=353 Emax=8.004961445010744 nrkept=849 nrkeptmult=849 Total energy=-3.463776268211628 Egs=-1.361266366582204 Kept: 849 out of 3844, ratio=0.221 =-0.05465278492928152 =0.9629311774087417 Memory used: 98 MB Time elapsed: 8 s ***** [NRG] Iteration 19/30 (scale 0.0016754523509807586) ***** [1] xi(18)=0.001675449906581253 xi_scaled(18)=0.9999985410510158 zeta(19)=4.5859538294014e-07 [2] xi(18)=0.001675449744954823 xi_scaled(18)=0.9999984445836769 zeta(19)=-2.290408891728439e-07 Stats: nr=56 min=1 max=286 Emax=8.003321172251637 nrkept=859 nrkeptmult=859 Total energy=-3.46541763673702 Egs=-0.9796569412616829 Kept: 859 out of 3396, ratio=0.253 =-0.0648193967906576 =0.9523661169997543 Memory used: 98 MB Time elapsed: 8 s ***** [NRG] Iteration 20/30 (scale 0.0011847237189334379) ***** [1] xi(19)=0.001184722857656785 xi_scaled(19)=0.9999992730147638 zeta(20)=2.348735132249187e-07 [2] xi(19)=0.00118472279827272 xi_scaled(19)=0.9999992228899419 zeta(20)=-1.173083860269445e-07 Stats: nr=53 min=1 max=323 Emax=8.002915686582584 nrkept=743 nrkeptmult=743 Total energy=-3.467060464580665 Egs=-1.386675912190336 Kept: 743 out of 3436, ratio=0.216 =-0.07453294889358214 =0.9422218269544682 Memory used: 98 MB Time elapsed: 8 s ***** [NRG] Iteration 21/30 (scale 0.00083772617549037929) ***** [1] xi(20)=0.0008377258701411008 xi_scaled(20)=0.9999996355022829 zeta(21)=1.202246502489446e-07 [2] xi(20)=0.0008377258482411413 xi_scaled(20)=0.9999996093601375 zeta(21)=-6.004815044598925e-08 Stats: nr=54 min=1 max=254 Emax=8.001932063372328 nrkept=749 nrkeptmult=749 Total energy=-3.4678665929384 Egs=-0.9622814486647489 Kept: 749 out of 2972, ratio=0.252 =-0.08275207973512866 =0.9336067780655465 Memory used: 98 MB Time elapsed: 8 s ***** [NRG] Iteration 22/30 (scale 0.00059236185946671895) ***** [1] xi(21)=0.0005923617517729797 xi_scaled(21)=0.9999998181960275 zeta(22)=6.150634853942486e-08 [2] xi(21)=0.0005923617438067259 xi_scaled(21)=0.9999998047477379 zeta(22)=-3.072109233570676e-08 Stats: nr=51 min=1 max=284 Emax=8.001379191000755 nrkept=654 nrkeptmult=654 Total energy=-3.46869744142804 Egs=-1.402602946766279 Kept: 654 out of 2996, ratio=0.218 =-0.08909183765289684 =0.9269416121231657 Memory used: 98 MB Time elapsed: 8 s ***** [NRG] Iteration 23/30 (scale 0.00041886308774518965) ***** [1] xi(22)=0.0004188630478695606 xi_scaled(22)=0.9999999048003269 zeta(23)=3.145028889261417e-08 [2] xi(22)=0.0004188630448677172 xi_scaled(22)=0.999999897633681 zeta(23)=-1.570910750191168e-08 Stats: nr=53 min=1 max=228 Emax=8.002581073223691 nrkept=659 nrkeptmult=659 Total energy=-3.469096327939062 Egs=-0.9523076219686569 Kept: 659 out of 2616, ratio=0.252 =-0.09338736579262136 =0.9224260035931756 Memory used: 98 MB Time elapsed: 9 s ***** [NRG] Iteration 24/30 (scale 0.00029618092973335947) ***** [1] xi(23)=0.0002961809155569679 xi_scaled(23)=0.9999999521360419 zeta(24)=1.607380561827709e-08 [2] xi(23)=0.0002961809145286198 xi_scaled(23)=0.9999999486640154 zeta(24)=-8.028887954298138e-09 Stats: nr=47 min=1 max=258 Emax=8.001563169626749 nrkept=597 nrkeptmult=597 Total energy=-3.469514442864635 Egs=-1.411687531504317 Kept: 597 out of 2636, ratio=0.226 =-0.09600969594550536 =0.9196625176688713 Memory used: 98 MB Time elapsed: 9 s ***** [NRG] Iteration 25/30 (scale 0.00020943154387259482) ***** [1] xi(24)=0.0002094315369385381 xi_scaled(24)=0.9999999668910586 zeta(25)=8.211347308972676e-09 [2] xi(24)=0.0002094315364810341 xi_scaled(24)=0.9999999647065546 zeta(25)=-4.101669835914108e-09 Stats: nr=53 min=1 max=212 Emax=8.009137436477936 nrkept=596 nrkeptmult=596 Total energy=-3.469712761608329 Egs=-0.9469382693087744 Kept: 596 out of 2388, ratio=0.25 =-0.09752142262976748 =0.9180697676076839 Memory used: 98 MB Time elapsed: 9 s ***** [NRG] Iteration 26/30 (scale 0.00014809046486667974) ***** [1] xi(25)=0.0001480904622933405 xi_scaled(25)=0.9999999826231942 zeta(26)=4.192997260026368e-09 [2] xi(25)=0.0001480904621971406 xi_scaled(25)=0.9999999819735923 zeta(26)=-2.094500158491399e-09 Stats: nr=46 min=1 max=223 Emax=8.00038860055858 nrkept=560 nrkeptmult=560 Total energy=-3.469922541550462 Egs=-1.416566166650015 Kept: 560 out of 2384, ratio=0.235 =-0.09830435190151686 =0.9172439585874631 Memory used: 98 MB Time elapsed: 9 s ***** [NRG] Iteration 27/30 (scale 0.00010471577193629741) ***** [1] xi(26)=0.0001047157690892634 xi_scaled(26)=0.9999999728117941 zeta(27)=2.140280809589055e-09 [2] xi(26)=0.0001047157689729488 xi_scaled(26)=0.9999999717010286 zeta(27)=-1.069144822177691e-09 Stats: nr=52 min=1 max=201 Emax=8.004204115264494 nrkept=576 nrkeptmult=576 Total energy=-3.47002140905055 Egs=-0.9441509932974663 Kept: 576 out of 2240, ratio=0.257 =-0.09872322048221131 =0.9168024961275392 Memory used: 98 MB Time elapsed: 9 s ***** [NRG] Iteration 28/30 (scale 7.4045232433339868e-05) ***** [1] xi(27)=7.404523129903719e-05 xi_scaled(27)=0.9999999846809492 zeta(28)=1.092124614782392e-09 [2] xi(27)=7.404523132759837e-05 xi_scaled(27)=0.9999999850666752 zeta(28)=-5.455678408390495e-10 Stats: nr=46 min=1 max=213 Emax=8.003820112907515 nrkept=545 nrkeptmult=545 Total energy=-3.470126486466306 Egs=-1.419097655616993 Kept: 545 out of 2304, ratio=0.237 =-0.09893041749141064 =0.9165838409726442 Memory used: 98 MB Time elapsed: 9 s ***** [NRG] Iteration 29/30 (scale 5.2357885968148706e-05) ***** [1] xi(28)=5.235788362878024e-05 xi_scaled(28)=0.9999999553196539 zeta(29)=5.571863549786117e-10 [2] xi(28)=5.235788355807491e-05 xi_scaled(28)=0.9999999539692302 zeta(29)=-2.783497366184286e-10 Stats: nr=51 min=1 max=197 Emax=8.001214047089981 nrkept=567 nrkeptmult=567 Total energy=-3.470175845878201 Egs=-0.9427311852313517 Kept: 567 out of 2180, ratio=0.26 =-0.0990384201903365 =0.9164699118223265 Memory used: 98 MB Time elapsed: 9 s ***** [NRG] Iteration 30/30 (scale 3.7022616216669934e-05) ***** [1] xi(29)=3.702261525946725e-05 xi_scaled(29)=0.9999999741454608 zeta(30)=2.842319273711821e-10 [2] xi(29)=3.702261530463751e-05 xi_scaled(29)=0.9999999753655328 zeta(30)=-1.419973651906545e-10 Stats: nr=46 min=1 max=210 Emax=8.004083848799228 nrkept=2268 nrkeptmult=2268 Total energy=-3.470228432335917 Egs=-1.420387403432025 Kept: 2268 out of 2268, ratio=1 =-0.09908968577711399 =0.9164159814937852 Memory used: 98 MB Time elapsed: 9 s ** Iteration completed. Total energy: -3.470228432335917 TKW=0.004122847770087608 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 0.218514543746074 (-1 0) 2 states 0.07319174115500551 0.3712270258191973 (-1 2) 2 states 0.1400886954312106 0.2203383917717631 (0 -1) 1 states 0.2259042232281288 (0 1) 4 states 0 0.09229099251866342 0.2973307521083924 0.387226566686299 (0 3) 1 states 0.1419125434568996 (1 0) 2 states 0.1556377466546414 0.2607834774557399 (1 2) 2 states 0.01914570252362667 0.3132838418155254 (2 1) 1 states 0.1905170008822525 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 0.85783160370214839) ***** [1] xi(0)=0.5832220802864937 xi_scaled(0)=0.6798794515957201 zeta(1)=0.01486737170634312 [2] xi(0)=0.5861865402330423 xi_scaled(0)=0.6833352113669325 zeta(1)=-0.007702481269927983 Stats: nr=16 min=1 max=9 Emax=2.823727882900225 nrkept=64 nrkeptmult=64 Kept: 64 out of 64, ratio=1 Memory used: 99 MB Time elapsed: 13 s ***** [DM] Iteration 2/30 (scale 0.6065785440939202) ***** [1] xi(1)=0.5063486662349005 xi_scaled(1)=0.8347619136302643 zeta(2)=0.01463248855617475 [2] xi(1)=0.5058693287676141 xi_scaled(1)=0.8339716821393 zeta(2)=-0.007214519043578845 Stats: nr=25 min=1 max=36 Emax=5.627569252882121 nrkept=256 nrkeptmult=256 Kept: 256 out of 256, ratio=1 Memory used: 99 MB Time elapsed: 13 s ***** [DM] Iteration 3/30 (scale 0.4289158018510742) ***** [1] xi(2)=0.4067244402854621 xi_scaled(2)=0.9482617299949296 zeta(3)=0.01412960197069377 [2] xi(2)=0.4063867330284142 xi_scaled(2)=0.9474743790612721 zeta(3)=-0.006998794269532971 Stats: nr=36 min=1 max=100 Emax=8.003099245910944 nrkept=937 nrkeptmult=937 Kept: 937 out of 1024, ratio=0.915 Memory used: 99 MB Time elapsed: 13 s ***** [DM] Iteration 4/30 (scale 0.3032892720469601) ***** [1] xi(3)=0.2953856419400667 xi_scaled(3)=0.9739402912158739 zeta(4)=0.008558487117035435 [2] xi(3)=0.2951073731950811 xi_scaled(3)=0.9730227884532225 zeta(4)=-0.004244886085786247 Stats: nr=49 min=1 max=355 Emax=8.07508290756542 nrkept=1697 nrkeptmult=1697 Kept: 1697 out of 3748, ratio=0.453 Memory used: 101 MB Time elapsed: 13 s ***** [DM] Iteration 5/30 (scale 0.2144579009255371) ***** [1] xi(4)=0.2103885002875906 xi_scaled(4)=0.9810247110487224 zeta(5)=0.004630569491616312 [2] xi(4)=0.2102544783106441 xi_scaled(4)=0.9803997773140914 zeta(5)=-0.002302029981308273 Stats: nr=60 min=2 max=515 Emax=8.000318346671719 nrkept=1937 nrkeptmult=1937 Kept: 1937 out of 6788, ratio=0.285 Memory used: 153 MB Time elapsed: 14 s ***** [DM] Iteration 6/30 (scale 0.15164463602348005) ***** [1] xi(5)=0.1499266500029919 xi_scaled(5)=0.9886709740249422 zeta(6)=0.00247224685889207 [2] xi(5)=0.1498714729973642 xi_scaled(5)=0.9883071167394187 zeta(6)=-0.001231265033452199 Stats: nr=69 min=1 max=663 Emax=8.001597985372783 nrkept=2013 nrkeptmult=2013 Kept: 2013 out of 7748, ratio=0.26 Memory used: 156 MB Time elapsed: 15 s ***** [DM] Iteration 7/30 (scale 0.10722895046276855) ***** [1] xi(6)=0.1065869687718674 xi_scaled(6)=0.9940129816795696 zeta(7)=0.001304088527270567 [2] xi(6)=0.106565134574845 xi_scaled(6)=0.9938093594588151 zeta(7)=-0.000650195243978738 Stats: nr=60 min=2 max=611 Emax=8.000098621421175 nrkept=1848 nrkeptmult=1848 Kept: 1848 out of 8052, ratio=0.23 Memory used: 177 MB Time elapsed: 16 s ***** [DM] Iteration 8/30 (scale 0.075822318011740025) ***** [1] xi(7)=0.07559139122972509 xi_scaled(7)=0.9969543692665901 zeta(8)=0.0006811520614775224 [2] xi(7)=0.07558295098084918 xi_scaled(7)=0.9968430531119639 zeta(8)=-0.0003398262809756815 Stats: nr=69 min=1 max=632 Emax=8.000526136174201 nrkept=1815 nrkeptmult=1815 Kept: 1815 out of 7392, ratio=0.246 Memory used: 161 MB Time elapsed: 17 s ***** [DM] Iteration 9/30 (scale 0.053614475231384275) ***** [1] xi(8)=0.05353238139362482 xi_scaled(8)=0.998468812062318 zeta(9)=0.0003536534246597364 [2] xi(8)=0.05352916816065354 xi_scaled(8)=0.9984088798712927 zeta(9)=-0.0001765020855676344 Stats: nr=60 min=1 max=553 Emax=8.000058719241114 nrkept=1639 nrkeptmult=1639 Kept: 1639 out of 7260, ratio=0.226 Memory used: 169 MB Time elapsed: 18 s ***** [DM] Iteration 10/30 (scale 0.037911159005870013) ***** [1] xi(9)=0.03788210925249075 xi_scaled(9)=0.9992337413537065 zeta(10)=0.0001829664530182751 [2] xi(9)=0.03788089727277254 xi_scaled(9)=0.9992017724097333 zeta(10)=-9.133496338407834e-05 Stats: nr=67 min=1 max=570 Emax=8.008869473458287 nrkept=1531 nrkeptmult=1531 Kept: 1531 out of 6556, ratio=0.234 Memory used: 169 MB Time elapsed: 19 s ***** [DM] Iteration 11/30 (scale 0.026807237615692137) ***** [1] xi(10)=0.02679697974109821 xi_scaled(10)=0.9996173468247276 zeta(11)=9.444866296630359e-05 [2] xi(10)=0.02679652527735041 xi_scaled(10)=0.9996003938005362 zeta(11)=-4.71540642916327e-05 Stats: nr=60 min=1 max=479 Emax=8.001953304070845 nrkept=1422 nrkeptmult=1422 Kept: 1422 out of 6124, ratio=0.232 Memory used: 158 MB Time elapsed: 20 s ***** [DM] Iteration 12/30 (scale 0.018955579502935006) ***** [1] xi(11)=0.01895196104153732 xi_scaled(11)=0.9998091083737571 zeta(12)=4.868003640573458e-05 [2] xi(11)=0.01895179131349697 xi_scaled(11)=0.9998001543852852 zeta(12)=-2.43059365384887e-05 Stats: nr=61 min=1 max=511 Emax=8.002451302731341 nrkept=1294 nrkeptmult=1294 Kept: 1294 out of 5688, ratio=0.227 Memory used: 158 MB Time elapsed: 21 s ***** [DM] Iteration 13/30 (scale 0.013403618807846069) ***** [1] xi(12)=0.01340234306660555 xi_scaled(12)=0.9999048211338442 zeta(13)=2.506092268325566e-05 [2] xi(12)=0.01340227986922615 xi_scaled(12)=0.9999001061848214 zeta(13)=-1.251370485410848e-05 Stats: nr=60 min=1 max=407 Emax=8.000714964180396 nrkept=1231 nrkeptmult=1231 Kept: 1231 out of 5176, ratio=0.238 Memory used: 158 MB Time elapsed: 21 s ***** [DM] Iteration 14/30 (scale 0.0094777897514675032) ***** [1] xi(13)=0.009477340097275746 xi_scaled(13)=0.9999525570619787 zeta(14)=1.288913204510571e-05 [2] xi(13)=0.009477316623268431 xi_scaled(13)=0.9999500803234216 zeta(14)=-6.436264243771284e-06 Stats: nr=59 min=1 max=448 Emax=8.002766556059932 nrkept=1114 nrkeptmult=1114 Kept: 1114 out of 4924, ratio=0.226 Memory used: 158 MB Time elapsed: 22 s ***** [DM] Iteration 15/30 (scale 0.0067018094039230343) ***** [1] xi(14)=0.006701650940085609 xi_scaled(14)=0.9999763550665388 zeta(15)=6.623445434345812e-06 [2] xi(14)=0.006701642238803535 xi_scaled(14)=0.9999750567183541 zeta(15)=-3.307592307204297e-06 Stats: nr=58 min=1 max=359 Emax=8.004656824627034 nrkept=1081 nrkeptmult=1081 Kept: 1081 out of 4456, ratio=0.243 Memory used: 158 MB Time elapsed: 22 s ***** [DM] Iteration 16/30 (scale 0.0047388948757337516) ***** [1] xi(15)=0.00473883903725989 xi_scaled(15)=0.9999882169840593 zeta(16)=3.401045956313668e-06 [2] xi(15)=0.004738835817862407 xi_scaled(15)=0.9999875376278874 zeta(16)=-1.698463241673699e-06 Stats: nr=56 min=1 max=392 Emax=8.000612853929532 nrkept=973 nrkeptmult=973 Kept: 973 out of 4324, ratio=0.225 Memory used: 158 MB Time elapsed: 22 s ***** [DM] Iteration 17/30 (scale 0.0033509047019615172) ***** [1] xi(16)=0.003350885025469276 xi_scaled(16)=0.9999941280060189 zeta(17)=1.745154921520399e-06 [2] xi(16)=0.003350883836166598 xi_scaled(16)=0.999993773086144 zeta(17)=-8.715490500268301e-07 Stats: nr=58 min=1 max=321 Emax=8.001177763461438 nrkept=961 nrkeptmult=961 Kept: 961 out of 3892, ratio=0.247 Memory used: 158 MB Time elapsed: 23 s ***** [DM] Iteration 18/30 (scale 0.0023694474378668758) ***** [1] xi(17)=0.002369440505166995 xi_scaled(17)=0.9999970741280142 zeta(18)=8.948859458870479e-07 [2] xi(17)=0.002369440066577443 xi_scaled(17)=0.9999968890259751 zeta(18)=-4.46929157153939e-07 Stats: nr=55 min=1 max=353 Emax=8.004961445010744 nrkept=849 nrkeptmult=849 Kept: 849 out of 3844, ratio=0.221 Memory used: 158 MB Time elapsed: 23 s ***** [DM] Iteration 19/30 (scale 0.0016754523509807586) ***** [1] xi(18)=0.001675449906581253 xi_scaled(18)=0.9999985410510158 zeta(19)=4.5859538294014e-07 [2] xi(18)=0.001675449744954823 xi_scaled(18)=0.9999984445836769 zeta(19)=-2.290408891728439e-07 Stats: nr=56 min=1 max=286 Emax=8.003321172251637 nrkept=859 nrkeptmult=859 Kept: 859 out of 3396, ratio=0.253 Memory used: 158 MB Time elapsed: 23 s ***** [DM] Iteration 20/30 (scale 0.0011847237189334379) ***** [1] xi(19)=0.001184722857656785 xi_scaled(19)=0.9999992730147638 zeta(20)=2.348735132249187e-07 [2] xi(19)=0.00118472279827272 xi_scaled(19)=0.9999992228899419 zeta(20)=-1.173083860269445e-07 Stats: nr=53 min=1 max=323 Emax=8.002915686582584 nrkept=743 nrkeptmult=743 Kept: 743 out of 3436, ratio=0.216 Memory used: 158 MB Time elapsed: 24 s ***** [DM] Iteration 21/30 (scale 0.00083772617549037929) ***** [1] xi(20)=0.0008377258701411008 xi_scaled(20)=0.9999996355022829 zeta(21)=1.202246502489446e-07 [2] xi(20)=0.0008377258482411413 xi_scaled(20)=0.9999996093601375 zeta(21)=-6.004815044598925e-08 Stats: nr=54 min=1 max=254 Emax=8.001932063372328 nrkept=749 nrkeptmult=749 Kept: 749 out of 2972, ratio=0.252 Memory used: 158 MB Time elapsed: 24 s ***** [DM] Iteration 22/30 (scale 0.00059236185946671895) ***** [1] xi(21)=0.0005923617517729797 xi_scaled(21)=0.9999998181960275 zeta(22)=6.150634853942486e-08 [2] xi(21)=0.0005923617438067259 xi_scaled(21)=0.9999998047477379 zeta(22)=-3.072109233570676e-08 Stats: nr=51 min=1 max=284 Emax=8.001379191000755 nrkept=654 nrkeptmult=654 Kept: 654 out of 2996, ratio=0.218 Memory used: 158 MB Time elapsed: 24 s ***** [DM] Iteration 23/30 (scale 0.00041886308774518965) ***** [1] xi(22)=0.0004188630478695606 xi_scaled(22)=0.9999999048003269 zeta(23)=3.145028889261417e-08 [2] xi(22)=0.0004188630448677172 xi_scaled(22)=0.999999897633681 zeta(23)=-1.570910750191168e-08 Stats: nr=53 min=1 max=228 Emax=8.002581073223691 nrkept=659 nrkeptmult=659 Kept: 659 out of 2616, ratio=0.252 Memory used: 158 MB Time elapsed: 24 s ***** [DM] Iteration 24/30 (scale 0.00029618092973335947) ***** [1] xi(23)=0.0002961809155569679 xi_scaled(23)=0.9999999521360419 zeta(24)=1.607380561827709e-08 [2] xi(23)=0.0002961809145286198 xi_scaled(23)=0.9999999486640154 zeta(24)=-8.028887954298138e-09 Stats: nr=47 min=1 max=258 Emax=8.001563169626749 nrkept=597 nrkeptmult=597 Kept: 597 out of 2636, ratio=0.226 Memory used: 158 MB Time elapsed: 24 s ***** [DM] Iteration 25/30 (scale 0.00020943154387259482) ***** [1] xi(24)=0.0002094315369385381 xi_scaled(24)=0.9999999668910586 zeta(25)=8.211347308972676e-09 [2] xi(24)=0.0002094315364810341 xi_scaled(24)=0.9999999647065546 zeta(25)=-4.101669835914108e-09 Stats: nr=53 min=1 max=212 Emax=8.009137436477936 nrkept=596 nrkeptmult=596 Kept: 596 out of 2388, ratio=0.25 Memory used: 158 MB Time elapsed: 25 s ***** [DM] Iteration 26/30 (scale 0.00014809046486667974) ***** [1] xi(25)=0.0001480904622933405 xi_scaled(25)=0.9999999826231942 zeta(26)=4.192997260026368e-09 [2] xi(25)=0.0001480904621971406 xi_scaled(25)=0.9999999819735923 zeta(26)=-2.094500158491399e-09 Stats: nr=46 min=1 max=223 Emax=8.00038860055858 nrkept=560 nrkeptmult=560 Kept: 560 out of 2384, ratio=0.235 Memory used: 158 MB Time elapsed: 25 s ***** [DM] Iteration 27/30 (scale 0.00010471577193629741) ***** [1] xi(26)=0.0001047157690892634 xi_scaled(26)=0.9999999728117941 zeta(27)=2.140280809589055e-09 [2] xi(26)=0.0001047157689729488 xi_scaled(26)=0.9999999717010286 zeta(27)=-1.069144822177691e-09 Stats: nr=52 min=1 max=201 Emax=8.004204115264494 nrkept=576 nrkeptmult=576 Kept: 576 out of 2240, ratio=0.257 Memory used: 158 MB Time elapsed: 25 s ***** [DM] Iteration 28/30 (scale 7.4045232433339868e-05) ***** [1] xi(27)=7.404523129903719e-05 xi_scaled(27)=0.9999999846809492 zeta(28)=1.092124614782392e-09 [2] xi(27)=7.404523132759837e-05 xi_scaled(27)=0.9999999850666752 zeta(28)=-5.455678408390495e-10 Stats: nr=46 min=1 max=213 Emax=8.003820112907515 nrkept=545 nrkeptmult=545 Kept: 545 out of 2304, ratio=0.237 Memory used: 158 MB Time elapsed: 25 s ***** [DM] Iteration 29/30 (scale 5.2357885968148706e-05) ***** [1] xi(28)=5.235788362878024e-05 xi_scaled(28)=0.9999999553196539 zeta(29)=5.571863549786117e-10 [2] xi(28)=5.235788355807491e-05 xi_scaled(28)=0.9999999539692302 zeta(29)=-2.783497366184286e-10 Stats: nr=51 min=1 max=197 Emax=8.001214047089981 nrkept=567 nrkeptmult=567 Kept: 567 out of 2180, ratio=0.26 Memory used: 158 MB Time elapsed: 25 s ***** [DM] Iteration 30/30 (scale 3.7022616216669934e-05) ***** [1] xi(29)=3.702261525946725e-05 xi_scaled(29)=0.9999999741454608 zeta(30)=2.842319273711821e-10 [2] xi(29)=3.702261530463751e-05 xi_scaled(29)=0.9999999753655328 zeta(30)=-1.419973651906545e-10 Stats: nr=46 min=1 max=210 Emax=8.004083848799228 nrkept=2268 nrkeptmult=2268 Kept: 2268 out of 2268, ratio=1 Memory used: 158 MB Time elapsed: 25 s ** Iteration completed. Spectrum: A_d-A_d-d FDM [A_d-A_d-d] pos=0.4429439326052983 neg=0.5570560673943262 sum= 0.9999999999996245 mu1=-0.007110626060965117 mu2=0.03344205927834752 mu3=0.0006996809516446757 mu4=0.01342047368602327 f=0.4429439326052983 b=0.4429439326052983 Spectrum: self_d-A_d-d FDM [self_d-A_d-d] pos=-0.0004392130285317489 neg=-0.006567762562388382 sum= -0.007006975590920131 mu1=0.0006333507453396127 mu2=-0.000235635134173306 mu3=3.945187397905156e-05 mu4=-9.31015259892708e-05 f=-0.0004392130285317489 b=-0.0004392130285317489 Spectrum: A_d-A_d-u FDM [A_d-A_d-u] pos=0.6401395118180433 neg=0.3598604881814534 sum= 0.9999999999994967 mu1=0.002883831918727105 mu2=0.002605105562909261 mu3=-9.143514775860836e-05 mu4=0.0008011082732106352 f=0.6401395118180433 b=0.6401395118180433 Spectrum: self_d-A_d-u FDM [self_d-A_d-u] pos=0.004490676451704641 neg=-0.0016378730819531 sum= 0.002852803369751541 mu1=0.0006332539139199557 mu2=4.261390167673325e-05 mu3=5.994571825640929e-05 mu4=1.240373498704214e-05 f=0.004490676451704641 b=0.004490676451704641 Memory usage report =================== after diag: 181944 kB after recalc: 194764 kB after split: 181944 kB after trim: 181944 kB after trunc: 181944 kB diag_h: 114480 kB Peak usage: 194764 kB Timing report ============= All: 25 s DM: 1 s FDM: 2 s diag: 7 s recalc d: 3 s recalc s: 0 s spec d: 7 s Other: 3 s