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=0.0001 broaden_min_ratio=3 broaden_ratio=1.01 dumpenergies=0 dumpannotated=0 dumpscaled=1 dumpabs=0 dumpprecision=8 dumpgroups=1 grouptol=1e-06 dumpdiagonal=0 ops=A_d_u A_d_d self_d_u self_d_d n_d SZd specs= specd=A_d_u-A_d_u self_d_u-A_d_u A_d_d-A_d_d self_d_d-A_d_d spect= specq= specot= reim=0 specgt= gtp=0.7 speci1t= speci2t= specchit= chitp=1 chitp_ratio=-999 dm=1 T0opt=-1 dmnrg=0 cfs=0 cfsgt=0 cfsls=0 fdm=1 fdmgt=0 fdmls=0 fdmexpv=0 fdmexpvn=0 cfsold=0 fdmold=0 width_td=12 width_custom=12 prec_td=6 prec_custom=6 prec_xy=6 safeguard=1e-05 safeguardmax=200 fixeps=1e-15 diag=dsyev diagratio=1 dsyevrlimit=100 zheevrlimit=100 restart=1 restartfactor=2 checkdiag=0 checkrho=0 calc0=1 tdht=0 spin=2 tri=old preccpp=2000 checksumrules=0 globalB=0 globalBx=0 polarized=1 pol2x2=0 mpi=0 noimag=1 dumpsubspaces=0 done=1 resume=0 forcestop=-1 stopafter= removefiles=1 dump_f=0 rungs=0 >> Input file for NRG Ljubljana, Rok Zitko, rok.zitko@ijs.si, 2005-2015 SYMMETRY TYPE: U1 invdim=1 0 Q additive I=(0) [0 (additive)] singlet QNs=(0) mult=1 >> Using sneg version 1.250 V8 >> Number of channels, impurities, chain sites, subspaces: channels=1 impurities=1 Nmax=30 subspaces=5 Reading <||||> (e) Reading <||n_d||> (s) Reading <||A_d_u||> (d) Reading <||A_d_d||> (d) Reading <||self_d_u||> (d) Reading <||self_d_d||> (d) Reading <||SZd||> (s) Reading <||||> (z) length_coef_table=30 Nmax=30 Number of invariant subspaces: 5 (-2) 1 states 0.2185145438205245 (-1) 4 states 0.07319174118706864 0.1400886954813275 0.2203383918142004 0.3712270259219477 (0) 6 states 0 0.09229099252506962 0.1419125434750034 0.2259042232884918 0.2973307521806831 0.3872265667645359 (1) 4 states 0.01914570249788795 0.1556377466787184 0.2607834774960422 0.3132838418633844 (2) 1 states 0.1905170008862689 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) =-7.104561666532004e-06 =1.0000109264112 ***** [NRG] Iteration 1/30 (scale 0.85783160370214839) ***** [1] xi(0)=0.583222080575963 xi_scaled(0)=0.6798794519331631 zeta(1)=0.01486737184326069 [2] xi(0)=0.5861865400860666 xi_scaled(0)=0.6833352111955986 zeta(1)=-0.007702481235734504 Stats: nr=7 min=1 max=20 Emax=2.823727883281028 nrkept=64 nrkeptmult=64 Total energy=-1.22368399107483 Egs=-1.137256109459951 Kept: 64 out of 64, ratio=1 =-1.854884329464027e-05 =1.00002825768645 Memory used: 46 MB Time elapsed: 0 s ***** [NRG] Iteration 2/30 (scale 0.6065785440939202) ***** [1] xi(1)=0.5063486658983447 xi_scaled(1)=0.8347619130754215 zeta(2)=0.01463248843870741 [2] xi(1)=0.505869328938332 xi_scaled(1)=0.8339716824207439 zeta(2)=-0.007214519072904657 Stats: nr=9 min=1 max=70 Emax=5.627569253029826 nrkept=256 nrkeptmult=256 Total energy=-1.71948718524832 Egs=-0.8173767420575326 Kept: 256 out of 256, ratio=1 =-4.890029176382863e-05 =1.000073474067042 Memory used: 63 MB Time elapsed: 0 s ***** [NRG] Iteration 3/30 (scale 0.4289158018510742) ***** [1] xi(2)=0.4067244405563871 xi_scaled(2)=0.9482617306265805 zeta(3)=0.01412960206866004 [2] xi(2)=0.4063867328911974 xi_scaled(2)=0.9474743787413568 zeta(3)=-0.006998794245078506 Stats: nr=11 min=1 max=252 Emax=8.003099246028844 nrkept=937 nrkeptmult=937 Total energy=-2.2916242297233 Egs=-1.333914586512796 Kept: 937 out of 1024, ratio=0.915 =-0.0001256128005765156 =1.000178158379994 Memory used: 78 MB Time elapsed: 0 s ***** [NRG] Iteration 4/30 (scale 0.3032892720469601) ***** [1] xi(3)=0.2953856415632549 xi_scaled(3)=0.9739402899734567 zeta(4)=0.00855848704084815 [2] xi(3)=0.2951073733845064 xi_scaled(3)=0.9730227890777922 zeta(4)=-0.004244886104796662 Stats: nr=13 min=1 max=836 Emax=8.075082907575787 nrkept=1697 nrkeptmult=1697 Total energy=-2.594552980959134 Egs=-0.9988112971860421 Kept: 1697 out of 3748, ratio=0.453 =-0.0002753996465505815 =1.00039288813066 Memory used: 110 MB Time elapsed: 1 s ***** [NRG] Iteration 5/30 (scale 0.2144579009255371) ***** [1] xi(4)=0.2103885005564248 xi_scaled(4)=0.9810247123022747 zeta(5)=0.004630569545902528 [2] xi(4)=0.2102544781756292 xi_scaled(4)=0.9803997766845278 zeta(5)=-0.00230202996774943 Stats: nr=13 min=4 max=1429 Emax=8.000318346672302 nrkept=1937 nrkeptmult=1937 Total energy=-2.87175891509665 Egs=-1.292589048671915 Kept: 1937 out of 6788, ratio=0.285 =-0.0005849269211779095 =1.000796898864301 Memory used: 136 MB Time elapsed: 6 s ***** [NRG] Iteration 6/30 (scale 0.15164463602348005) ***** [1] xi(5)=0.1499266496244333 xi_scaled(5)=0.9886709715285893 zeta(6)=0.002472246817083516 [2] xi(5)=0.149871473186939 xi_scaled(5)=0.9883071179895445 zeta(6)=-0.001231265043900733 Stats: nr=13 min=5 max=1629 Emax=8.00159798614194 nrkept=2013 nrkeptmult=2013 Total energy=-3.034287236165562 Egs=-1.071770985976362 Kept: 2013 out of 7748, ratio=0.26 =-0.001081096694407209 =1.001392481508288 Memory used: 222 MB Time elapsed: 12 s ***** [NRG] Iteration 7/30 (scale 0.10722895046276855) ***** [1] xi(6)=0.1065869690411418 xi_scaled(6)=0.9940129841907789 zeta(7)=0.001304088556576348 [2] xi(6)=0.1065651344400309 xi_scaled(6)=0.99380935820156 zeta(7)=-0.0006501952366424093 Stats: nr=13 min=4 max=1693 Emax=8.000098621756468 nrkept=1848 nrkeptmult=1848 Total energy=-3.168181472293503 Egs=-1.248676178868609 Kept: 1848 out of 8052, ratio=0.23 =-0.00187629771953732 =1.002219196673739 Memory used: 190 MB Time elapsed: 19 s ***** [NRG] Iteration 8/30 (scale 0.075822318011740025) ***** [1] xi(7)=0.07559139084964492 xi_scaled(7)=0.9969543642538158 zeta(8)=0.0006811520390331261 [2] xi(7)=0.07558295117097372 xi_scaled(7)=0.9968430556194648 zeta(8)=-0.0003398262866094572 Stats: nr=13 min=5 max=1552 Emax=8.000526140020927 nrkept=1815 nrkeptmult=1815 Total energy=-3.253995961795259 Egs=-1.131784041322354 Kept: 1815 out of 7392, ratio=0.246 =-0.003025117434285734 =1.003191806548304 Memory used: 219 MB Time elapsed: 24 s ***** [NRG] Iteration 9/30 (scale 0.053614475231384275) ***** [1] xi(8)=0.05353238166283349 xi_scaled(8)=0.9984688170835117 zeta(9)=0.0003536534402386351 [2] xi(8)=0.0535291680259989 xi_scaled(8)=0.9984088773597575 zeta(9)=-0.000176502081636666 Stats: nr=13 min=3 max=1529 Emax=8.000058725485021 nrkept=1639 nrkeptmult=1639 Total energy=-3.318176897475332 Egs=-1.197082232048098 Kept: 1639 out of 7260, ratio=0.226 =-0.004636040991858446 =1.004002528790807 Memory used: 219 MB Time elapsed: 29 s ***** [NRG] Iteration 10/30 (scale 0.037911159005870013) ***** [1] xi(9)=0.03788210887195154 xi_scaled(9)=0.9992337313160492 zeta(10)=0.0001829664411427579 [2] xi(9)=0.03788089746306563 xi_scaled(9)=0.9992017774291814 zeta(10)=-9.133496641134598e-05 Stats: nr=13 min=2 max=1397 Emax=8.008869477177413 nrkept=1531 nrkeptmult=1531 Total energy=-3.363057203524944 Egs=-1.183828382631698 Kept: 1531 out of 6556, ratio=0.234 =-0.006700830515143776 =1.004486923419684 Memory used: 219 MB Time elapsed: 33 s ***** [NRG] Iteration 11/30 (scale 0.026807237615692137) ***** [1] xi(10)=0.02679698001029358 xi_scaled(10)=0.9996173568666189 zeta(11)=9.444867113781301e-05 [2] xi(10)=0.0267965251427389 xi_scaled(10)=0.9996003887790748 zeta(11)=-4.715406216824392e-05 Stats: nr=13 min=2 max=1320 Emax=8.001953316104817 nrkept=1422 nrkeptmult=1422 Total energy=-3.39372092637613 Egs=-1.143859851984015 Kept: 1422 out of 6124, ratio=0.232 =-0.009336843142152648 =1.004180446294731 Memory used: 219 MB Time elapsed: 36 s ***** [NRG] Iteration 12/30 (scale 0.018955579502935006) ***** [1] xi(11)=0.01895196066088113 xi_scaled(11)=0.999809088292272 zeta(12)=4.868003024524968e-05 [2] xi(11)=0.01895179150383124 xi_scaled(11)=0.9998001644263536 zeta(12)=-2.430593820151178e-05 Stats: nr=13 min=1 max=1236 Emax=8.002451301136292 nrkept=1294 nrkeptmult=1294 Total energy=-3.417102733151515 Egs=-1.233505246925577 Kept: 1294 out of 5688, ratio=0.227 =-0.01269241372008007 =1.002747333660919 Memory used: 219 MB Time elapsed: 39 s ***** [NRG] Iteration 13/30 (scale 0.013403618807846069) ***** [1] xi(12)=0.01340234333578946 xi_scaled(12)=0.9999048412167716 zeta(13)=2.506092683259913e-05 [2] xi(12)=0.0134022797346307 xi_scaled(12)=0.9999000961430966 zeta(13)=-1.251370365172556e-05 Stats: nr=13 min=2 max=1127 Emax=8.000714974379305 nrkept=1231 nrkeptmult=1231 Total energy=-3.431742115493172 Egs=-1.092196260690972 Kept: 1231 out of 5176, ratio=0.238 =-0.01679768804175137 =0.9999736407107123 Memory used: 219 MB Time elapsed: 42 s ***** [NRG] Iteration 14/30 (scale 0.0094777897514675032) ***** [1] xi(13)=0.009477339716610123 xi_scaled(13)=0.999952516898013 zeta(14)=1.288912904221351e-05 [2] xi(13)=0.009477316813602527 xi_scaled(13)=0.9999501004055399 zeta(14)=-6.436265243156022e-06 Stats: nr=13 min=1 max=1082 Emax=8.002766545096998 nrkept=1114 nrkeptmult=1114 Total energy=-3.443888957218922 Egs=-1.281611224164296 Kept: 1114 out of 4924, ratio=0.226 =-0.02193314314779336 =0.9956409980053842 Memory used: 219 MB Time elapsed: 44 s ***** [NRG] Iteration 15/30 (scale 0.0067018094039230343) ***** [1] xi(14)=0.006701651209223536 xi_scaled(14)=0.9999763952255333 zeta(15)=6.623447290891873e-06 [2] xi(14)=0.006701642104233998 xi_scaled(14)=0.9999750366387713 zeta(15)=-3.307591511185754e-06 Stats: nr=13 min=1 max=985 Emax=8.004656826741282 nrkept=1081 nrkeptmult=1081 Total energy=-3.450894665241205 Egs=-1.045345756652163 Kept: 1081 out of 4456, ratio=0.243 =-0.02822807822032357 =0.9897261366817341 Memory used: 219 MB Time elapsed: 45 s ***** [NRG] Iteration 16/30 (scale 0.0047388948757337516) ***** [1] xi(15)=0.004738838656676924 xi_scaled(15)=0.9999881366735702 zeta(16)=3.40104486753167e-06 [2] xi(15)=0.004738836008153769 xi_scaled(15)=0.9999875777831063 zeta(16)=-1.69846401185105e-06 Stats: nr=13 min=1 max=950 Emax=8.000612836218769 nrkept=973 nrkeptmult=973 Total energy=-3.457176128275091 Egs=-1.325512212995437 Kept: 973 out of 4324, ratio=0.225 =-0.0358656312856527 =0.982158594962636 Memory used: 219 MB Time elapsed: 47 s ***** [NRG] Iteration 17/30 (scale 0.0033509047019615172) ***** [1] xi(16)=0.003350885294420222 xi_scaled(16)=0.9999942082682077 zeta(17)=1.745155244093342e-06 [2] xi(16)=0.003350883701691413 xi_scaled(16)=0.9999937329551355 zeta(17)=-8.715483067986872e-07 Stats: nr=13 min=1 max=864 Emax=8.001177830265144 nrkept=961 nrkeptmult=961 Total energy=-3.460550819438251 Egs=-1.007098519150578 Kept: 961 out of 3892, ratio=0.247 =-0.04473701448355299 =0.973153827068922 Memory used: 219 MB Time elapsed: 48 s ***** [NRG] Iteration 18/30 (scale 0.0023694474378668758) ***** [1] xi(17)=0.002369440124946093 xi_scaled(17)=0.9999969136598407 zeta(18)=8.948863482005031e-07 [2] xi(17)=0.002369440256687312 xi_scaled(17)=0.9999969692598162 zeta(18)=-4.469300469857641e-07 Stats: nr=13 min=1 max=854 Emax=8.004961449988322 nrkept=849 nrkeptmult=849 Total energy=-3.463776268265963 Egs=-1.361266249744398 Kept: 849 out of 3844, ratio=0.221 =-0.05465278534340703 =0.9629311759636668 Memory used: 219 MB Time elapsed: 49 s ***** [NRG] Iteration 19/30 (scale 0.0016754523509807586) ***** [1] xi(18)=0.001675450174783565 xi_scaled(18)=0.9999987011285687 zeta(19)=4.585942690404371e-07 [2] xi(18)=0.00167544961085426 xi_scaled(18)=0.9999983645452544 zeta(19)=-2.290398597919572e-07 Stats: nr=12 min=1 max=763 Emax=8.003321241587274 nrkept=859 nrkeptmult=859 Total energy=-3.465417637043434 Egs=-0.9796570917159596 Kept: 859 out of 3396, ratio=0.253 =-0.0648193983077074 =0.9523661140248364 Memory used: 219 MB Time elapsed: 50 s ***** [NRG] Iteration 20/30 (scale 0.0011847237189334379) ***** [1] xi(19)=0.001184722478888569 xi_scaled(19)=0.9999989533045985 zeta(20)=2.34875610387949e-07 [2] xi(19)=0.00118472298765601 xi_scaled(19)=0.9999993827443345 zeta(20)=-1.173097932270943e-07 Stats: nr=12 min=1 max=771 Emax=8.002915746228714 nrkept=743 nrkeptmult=743 Total energy=-3.467060464600741 Egs=-1.38667567049885 Kept: 743 out of 3436, ratio=0.216 =-0.07453295267561705 =0.9422218211593105 Memory used: 219 MB Time elapsed: 51 s ***** [NRG] Iteration 21/30 (scale 0.00083772617549037929) ***** [1] xi(20)=0.0008377261353642366 xi_scaled(20)=0.9999999521011235 zeta(21)=1.202216761343005e-07 [2] xi(20)=0.0008377257156303505 xi_scaled(20)=0.999999451061645 zeta(21)=-6.004641917267594e-08 Stats: nr=11 min=7 max=667 Emax=8.001932259951667 nrkept=749 nrkeptmult=749 Total energy=-3.467866593208092 Egs=-0.9622817466329588 Kept: 749 out of 2972, ratio=0.252 =-0.0827520873203399 =0.9336067677873099 Memory used: 219 MB Time elapsed: 52 s ***** [NRG] Iteration 22/30 (scale 0.00059236185946671895) ***** [1] xi(21)=0.0005923613787528588 xi_scaled(21)=0.9999991884793856 zeta(22)=6.151073805778569e-08 [2] xi(21)=0.0005923619303157317 xi_scaled(21)=1.000000119604278 zeta(22)=-3.072347060673675e-08 Stats: nr=12 min=1 max=673 Emax=8.001378486773406 nrkept=654 nrkeptmult=654 Total energy=-3.468697441409457 Egs=-1.402602460112398 Kept: 654 out of 2996, ratio=0.218 =-0.08909185098846034 =0.9269415952842304 Memory used: 219 MB Time elapsed: 52 s ***** [NRG] Iteration 23/30 (scale 0.00041886308774518965) ***** [1] xi(22)=0.000418863301431746 xi_scaled(22)=1.00000051015848 zeta(23)=3.144528585916774e-08 [2] xi(22)=0.0004188629180875751 xi_scaled(22)=0.9999995949568736 zeta(23)=-1.570648409365951e-08 Stats: nr=11 min=5 max=590 Emax=8.002581003137964 nrkept=659 nrkeptmult=659 Total energy=-3.469096328162154 Egs=-0.9523081989499731 Kept: 659 out of 2616, ratio=0.252 =-0.09338738655774763 =0.9224259784274269 Memory used: 219 MB Time elapsed: 53 s ***** [NRG] Iteration 24/30 (scale 0.00029618092973335947) ***** [1] xi(23)=0.0002961805645116176 xi_scaled(23)=0.9999987668964975 zeta(24)=1.607922437693492e-08 [2] xi(23)=0.0002961810900499717 xi_scaled(23)=1.00000054127932 zeta(24)=-8.031685426501788e-09 Stats: nr=12 min=1 max=604 Emax=8.001563157758195 nrkept=597 nrkeptmult=597 Total energy=-3.46951444280973 Egs=-1.411686592893845 Kept: 597 out of 2636, ratio=0.226 =-0.09600972561858757 =0.9196624826230636 Memory used: 219 MB Time elapsed: 53 s ***** [NRG] Iteration 25/30 (scale 0.00020943154387259482) ***** [1] xi(24)=0.0002094317477607861 xi_scaled(24)=1.000000973531434 zeta(25)=8.210418501803833e-09 [2] xi(24)=0.0002094314310709236 xi_scaled(24)=0.999999461391206 zeta(25)=-4.101152235968402e-09 Stats: nr=11 min=5 max=538 Emax=8.009135995631873 nrkept=596 nrkeptmult=596 Total energy=-3.469712761772422 Egs=-0.946939314992388 Kept: 596 out of 2388, ratio=0.25 =-0.09752146206149138 =0.9180697218043062 Memory used: 219 MB Time elapsed: 54 s ***** [NRG] Iteration 26/30 (scale 0.00014809046486667974) ***** [1] xi(25)=0.0001480901843674674 xi_scaled(25)=0.9999981058928232 zeta(26)=4.185208573454377e-09 [2] xi(25)=0.0001480906011587077 xi_scaled(25)=1.00000092032953 zeta(26)=-2.090639110010409e-09 Stats: nr=11 min=4 max=542 Emax=8.000388129397418 nrkept=560 nrkeptmult=560 Total energy=-3.469922541476473 Egs=-1.416564558969103 Kept: 560 out of 2384, ratio=0.235 =-0.09830440154519805 =0.917243901562049 Memory used: 219 MB Time elapsed: 54 s ***** [NRG] Iteration 27/30 (scale 0.00010471577193629741) ***** [1] xi(26)=0.0001047158599496776 xi_scaled(26)=1.000000840497841 zeta(27)=2.163054086534993e-09 [2] xi(26)=0.0001047157235433272 xi_scaled(26)=0.9999995378635969 zeta(27)=-1.080517250188395e-09 Stats: nr=11 min=5 max=502 Emax=8.004202136869068 nrkept=576 nrkeptmult=576 Total energy=-3.47002140913578 Egs=-0.9441525137870992 Kept: 576 out of 2240, ratio=0.257 =-0.09872328035237005 =0.916802427880118 Memory used: 219 MB Time elapsed: 54 s ***** [NRG] Iteration 28/30 (scale 7.4045232433339868e-05) ***** [1] xi(27)=7.404508900169557e-05 xi_scaled(27)=0.9999980629185757 zeta(28)=1.104000856729927e-09 [2] xi(27)=7.404530247515629e-05 xi_scaled(27)=1.000000945932832 zeta(28)=-5.515121255770884e-10 Stats: nr=11 min=4 max=523 Emax=8.003813960527665 nrkept=545 nrkeptmult=545 Total energy=-3.470126486390555 Egs=-1.419095481525255 Kept: 545 out of 2304, ratio=0.237 =-0.09893048730468604 =0.9165837618240024 Memory used: 219 MB Time elapsed: 54 s ***** [NRG] Iteration 29/30 (scale 5.2357885968148706e-05) ***** [1] xi(28)=5.235782413291136e-05 xi_scaled(28)=0.9999988189890365 zeta(29)=5.752706585977972e-10 [2] xi(28)=5.235791330622234e-05 xi_scaled(28)=1.000000522138607 zeta(29)=-2.873922389955617e-10 Stats: nr=11 min=5 max=487 Emax=8.001216173703307 nrkept=567 nrkeptmult=567 Total energy=-3.470175845867073 Egs=-0.9427324194817237 Kept: 567 out of 2180, ratio=0.26 =-0.0990384992370765 =0.9164698225540127 Memory used: 219 MB Time elapsed: 55 s ***** [NRG] Iteration 30/30 (scale 3.7022616216669934e-05) ***** [1] xi(29)=3.702255026664417e-05 xi_scaled(29)=0.9999982186557163 zeta(30)=2.947514276338213e-10 [2] xi(29)=3.702264780064577e-05 xi_scaled(29)=1.000000853099512 zeta(30)=-1.472579494078327e-10 Stats: nr=11 min=4 max=511 Emax=8.004069520709098 nrkept=2268 nrkeptmult=2268 Total energy=-3.470228432239777 Egs=-1.420385107228806 Kept: 2268 out of 2268, ratio=1 =-0.09908977273940969 =0.9164158835693937 Memory used: 219 MB Time elapsed: 55 s ** Iteration completed. Total energy: -3.470228432239777 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 0.2185145438205245 (-1) 4 states 0.07319174118706864 0.1400886954813275 0.2203383918142004 0.3712270259219477 (0) 6 states 0 0.09229099252506962 0.1419125434750034 0.2259042232884918 0.2973307521806831 0.3872265667645359 (1) 4 states 0.01914570249788795 0.1556377466787184 0.2607834774960422 0.3132838418633844 (2) 1 states 0.1905170008862689 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 0.85783160370214839) ***** [1] xi(0)=0.583222080575963 xi_scaled(0)=0.6798794519331631 zeta(1)=0.01486737184326069 [2] xi(0)=0.5861865400860666 xi_scaled(0)=0.6833352111955986 zeta(1)=-0.007702481235734504 Stats: nr=7 min=1 max=20 Emax=2.823727883281028 nrkept=64 nrkeptmult=64 Kept: 64 out of 64, ratio=1 Memory used: 222 MB Time elapsed: 68 s ***** [DM] Iteration 2/30 (scale 0.6065785440939202) ***** [1] xi(1)=0.5063486658983447 xi_scaled(1)=0.8347619130754215 zeta(2)=0.01463248843870741 [2] xi(1)=0.505869328938332 xi_scaled(1)=0.8339716824207439 zeta(2)=-0.007214519072904657 Stats: nr=9 min=1 max=70 Emax=5.627569253029826 nrkept=256 nrkeptmult=256 Kept: 256 out of 256, ratio=1 Memory used: 222 MB Time elapsed: 68 s ***** [DM] Iteration 3/30 (scale 0.4289158018510742) ***** [1] xi(2)=0.4067244405563871 xi_scaled(2)=0.9482617306265805 zeta(3)=0.01412960206866004 [2] xi(2)=0.4063867328911974 xi_scaled(2)=0.9474743787413568 zeta(3)=-0.006998794245078506 Stats: nr=11 min=1 max=252 Emax=8.003099246028844 nrkept=937 nrkeptmult=937 Kept: 937 out of 1024, ratio=0.915 Memory used: 222 MB Time elapsed: 68 s ***** [DM] Iteration 4/30 (scale 0.3032892720469601) ***** [1] xi(3)=0.2953856415632549 xi_scaled(3)=0.9739402899734567 zeta(4)=0.00855848704084815 [2] xi(3)=0.2951073733845064 xi_scaled(3)=0.9730227890777922 zeta(4)=-0.004244886104796662 Stats: nr=13 min=1 max=836 Emax=8.075082907575787 nrkept=1697 nrkeptmult=1697 Kept: 1697 out of 3748, ratio=0.453 Memory used: 222 MB Time elapsed: 69 s ***** [DM] Iteration 5/30 (scale 0.2144579009255371) ***** [1] xi(4)=0.2103885005564248 xi_scaled(4)=0.9810247123022747 zeta(5)=0.004630569545902528 [2] xi(4)=0.2102544781756292 xi_scaled(4)=0.9803997766845278 zeta(5)=-0.00230202996774943 Stats: nr=13 min=4 max=1429 Emax=8.000318346672302 nrkept=1937 nrkeptmult=1937 Kept: 1937 out of 6788, ratio=0.285 Memory used: 421 MB Time elapsed: 73 s ***** [DM] Iteration 6/30 (scale 0.15164463602348005) ***** [1] xi(5)=0.1499266496244333 xi_scaled(5)=0.9886709715285893 zeta(6)=0.002472246817083516 [2] xi(5)=0.149871473186939 xi_scaled(5)=0.9883071179895445 zeta(6)=-0.001231265043900733 Stats: nr=13 min=5 max=1629 Emax=8.00159798614194 nrkept=2013 nrkeptmult=2013 Kept: 2013 out of 7748, ratio=0.26 Memory used: 445 MB Time elapsed: 79 s ***** [DM] Iteration 7/30 (scale 0.10722895046276855) ***** [1] xi(6)=0.1065869690411418 xi_scaled(6)=0.9940129841907789 zeta(7)=0.001304088556576348 [2] xi(6)=0.1065651344400309 xi_scaled(6)=0.99380935820156 zeta(7)=-0.0006501952366424093 Stats: nr=13 min=4 max=1693 Emax=8.000098621756468 nrkept=1848 nrkeptmult=1848 Kept: 1848 out of 8052, ratio=0.23 Memory used: 271 MB Time elapsed: 85 s ***** [DM] Iteration 8/30 (scale 0.075822318011740025) ***** [1] xi(7)=0.07559139084964492 xi_scaled(7)=0.9969543642538158 zeta(8)=0.0006811520390331261 [2] xi(7)=0.07558295117097372 xi_scaled(7)=0.9968430556194648 zeta(8)=-0.0003398262866094572 Stats: nr=13 min=5 max=1552 Emax=8.000526140020927 nrkept=1815 nrkeptmult=1815 Kept: 1815 out of 7392, ratio=0.246 Memory used: 226 MB Time elapsed: 90 s ***** [DM] Iteration 9/30 (scale 0.053614475231384275) ***** [1] xi(8)=0.05353238166283349 xi_scaled(8)=0.9984688170835117 zeta(9)=0.0003536534402386351 [2] xi(8)=0.0535291680259989 xi_scaled(8)=0.9984088773597575 zeta(9)=-0.000176502081636666 Stats: nr=13 min=3 max=1529 Emax=8.000058725485021 nrkept=1639 nrkeptmult=1639 Kept: 1639 out of 7260, ratio=0.226 Memory used: 226 MB Time elapsed: 95 s ***** [DM] Iteration 10/30 (scale 0.037911159005870013) ***** [1] xi(9)=0.03788210887195154 xi_scaled(9)=0.9992337313160492 zeta(10)=0.0001829664411427579 [2] xi(9)=0.03788089746306563 xi_scaled(9)=0.9992017774291814 zeta(10)=-9.133496641134598e-05 Stats: nr=13 min=2 max=1397 Emax=8.008869477177413 nrkept=1531 nrkeptmult=1531 Kept: 1531 out of 6556, ratio=0.234 Memory used: 343 MB Time elapsed: 100 s ***** [DM] Iteration 11/30 (scale 0.026807237615692137) ***** [1] xi(10)=0.02679698001029358 xi_scaled(10)=0.9996173568666189 zeta(11)=9.444867113781301e-05 [2] xi(10)=0.0267965251427389 xi_scaled(10)=0.9996003887790748 zeta(11)=-4.715406216824392e-05 Stats: nr=13 min=2 max=1320 Emax=8.001953316104817 nrkept=1422 nrkeptmult=1422 Kept: 1422 out of 6124, ratio=0.232 Memory used: 226 MB Time elapsed: 104 s ***** [DM] Iteration 12/30 (scale 0.018955579502935006) ***** [1] xi(11)=0.01895196066088113 xi_scaled(11)=0.999809088292272 zeta(12)=4.868003024524968e-05 [2] xi(11)=0.01895179150383124 xi_scaled(11)=0.9998001644263536 zeta(12)=-2.430593820151178e-05 Stats: nr=13 min=1 max=1236 Emax=8.002451301136292 nrkept=1294 nrkeptmult=1294 Kept: 1294 out of 5688, ratio=0.227 Memory used: 256 MB Time elapsed: 107 s ***** [DM] Iteration 13/30 (scale 0.013403618807846069) ***** [1] xi(12)=0.01340234333578946 xi_scaled(12)=0.9999048412167716 zeta(13)=2.506092683259913e-05 [2] xi(12)=0.0134022797346307 xi_scaled(12)=0.9999000961430966 zeta(13)=-1.251370365172556e-05 Stats: nr=13 min=2 max=1127 Emax=8.000714974379305 nrkept=1231 nrkeptmult=1231 Kept: 1231 out of 5176, ratio=0.238 Memory used: 226 MB Time elapsed: 109 s ***** [DM] Iteration 14/30 (scale 0.0094777897514675032) ***** [1] xi(13)=0.009477339716610123 xi_scaled(13)=0.999952516898013 zeta(14)=1.288912904221351e-05 [2] xi(13)=0.009477316813602527 xi_scaled(13)=0.9999501004055399 zeta(14)=-6.436265243156022e-06 Stats: nr=13 min=1 max=1082 Emax=8.002766545096998 nrkept=1114 nrkeptmult=1114 Kept: 1114 out of 4924, ratio=0.226 Memory used: 226 MB Time elapsed: 112 s ***** [DM] Iteration 15/30 (scale 0.0067018094039230343) ***** [1] xi(14)=0.006701651209223536 xi_scaled(14)=0.9999763952255333 zeta(15)=6.623447290891873e-06 [2] xi(14)=0.006701642104233998 xi_scaled(14)=0.9999750366387713 zeta(15)=-3.307591511185754e-06 Stats: nr=13 min=1 max=985 Emax=8.004656826741282 nrkept=1081 nrkeptmult=1081 Kept: 1081 out of 4456, ratio=0.243 Memory used: 239 MB Time elapsed: 113 s ***** [DM] Iteration 16/30 (scale 0.0047388948757337516) ***** [1] xi(15)=0.004738838656676924 xi_scaled(15)=0.9999881366735702 zeta(16)=3.40104486753167e-06 [2] xi(15)=0.004738836008153769 xi_scaled(15)=0.9999875777831063 zeta(16)=-1.69846401185105e-06 Stats: nr=13 min=1 max=950 Emax=8.000612836218769 nrkept=973 nrkeptmult=973 Kept: 973 out of 4324, ratio=0.225 Memory used: 239 MB Time elapsed: 115 s ***** [DM] Iteration 17/30 (scale 0.0033509047019615172) ***** [1] xi(16)=0.003350885294420222 xi_scaled(16)=0.9999942082682077 zeta(17)=1.745155244093342e-06 [2] xi(16)=0.003350883701691413 xi_scaled(16)=0.9999937329551355 zeta(17)=-8.715483067986872e-07 Stats: nr=13 min=1 max=864 Emax=8.001177830265144 nrkept=961 nrkeptmult=961 Kept: 961 out of 3892, ratio=0.247 Memory used: 239 MB Time elapsed: 116 s ***** [DM] Iteration 18/30 (scale 0.0023694474378668758) ***** [1] xi(17)=0.002369440124946093 xi_scaled(17)=0.9999969136598407 zeta(18)=8.948863482005031e-07 [2] xi(17)=0.002369440256687312 xi_scaled(17)=0.9999969692598162 zeta(18)=-4.469300469857641e-07 Stats: nr=13 min=1 max=854 Emax=8.004961449988322 nrkept=849 nrkeptmult=849 Kept: 849 out of 3844, ratio=0.221 Memory used: 239 MB Time elapsed: 118 s ***** [DM] Iteration 19/30 (scale 0.0016754523509807586) ***** [1] xi(18)=0.001675450174783565 xi_scaled(18)=0.9999987011285687 zeta(19)=4.585942690404371e-07 [2] xi(18)=0.00167544961085426 xi_scaled(18)=0.9999983645452544 zeta(19)=-2.290398597919572e-07 Stats: nr=12 min=1 max=763 Emax=8.003321241587274 nrkept=859 nrkeptmult=859 Kept: 859 out of 3396, ratio=0.253 Memory used: 239 MB Time elapsed: 119 s ***** [DM] Iteration 20/30 (scale 0.0011847237189334379) ***** [1] xi(19)=0.001184722478888569 xi_scaled(19)=0.9999989533045985 zeta(20)=2.34875610387949e-07 [2] xi(19)=0.00118472298765601 xi_scaled(19)=0.9999993827443345 zeta(20)=-1.173097932270943e-07 Stats: nr=12 min=1 max=771 Emax=8.002915746228714 nrkept=743 nrkeptmult=743 Kept: 743 out of 3436, ratio=0.216 Memory used: 239 MB Time elapsed: 120 s ***** [DM] Iteration 21/30 (scale 0.00083772617549037929) ***** [1] xi(20)=0.0008377261353642366 xi_scaled(20)=0.9999999521011235 zeta(21)=1.202216761343005e-07 [2] xi(20)=0.0008377257156303505 xi_scaled(20)=0.999999451061645 zeta(21)=-6.004641917267594e-08 Stats: nr=11 min=7 max=667 Emax=8.001932259951667 nrkept=749 nrkeptmult=749 Kept: 749 out of 2972, ratio=0.252 Memory used: 239 MB Time elapsed: 120 s ***** [DM] Iteration 22/30 (scale 0.00059236185946671895) ***** [1] xi(21)=0.0005923613787528588 xi_scaled(21)=0.9999991884793856 zeta(22)=6.151073805778569e-08 [2] xi(21)=0.0005923619303157317 xi_scaled(21)=1.000000119604278 zeta(22)=-3.072347060673675e-08 Stats: nr=12 min=1 max=673 Emax=8.001378486773406 nrkept=654 nrkeptmult=654 Kept: 654 out of 2996, ratio=0.218 Memory used: 239 MB Time elapsed: 121 s ***** [DM] Iteration 23/30 (scale 0.00041886308774518965) ***** [1] xi(22)=0.000418863301431746 xi_scaled(22)=1.00000051015848 zeta(23)=3.144528585916774e-08 [2] xi(22)=0.0004188629180875751 xi_scaled(22)=0.9999995949568736 zeta(23)=-1.570648409365951e-08 Stats: nr=11 min=5 max=590 Emax=8.002581003137964 nrkept=659 nrkeptmult=659 Kept: 659 out of 2616, ratio=0.252 Memory used: 239 MB Time elapsed: 121 s ***** [DM] Iteration 24/30 (scale 0.00029618092973335947) ***** [1] xi(23)=0.0002961805645116176 xi_scaled(23)=0.9999987668964975 zeta(24)=1.607922437693492e-08 [2] xi(23)=0.0002961810900499717 xi_scaled(23)=1.00000054127932 zeta(24)=-8.031685426501788e-09 Stats: nr=12 min=1 max=604 Emax=8.001563157758195 nrkept=597 nrkeptmult=597 Kept: 597 out of 2636, ratio=0.226 Memory used: 239 MB Time elapsed: 122 s ***** [DM] Iteration 25/30 (scale 0.00020943154387259482) ***** [1] xi(24)=0.0002094317477607861 xi_scaled(24)=1.000000973531434 zeta(25)=8.210418501803833e-09 [2] xi(24)=0.0002094314310709236 xi_scaled(24)=0.999999461391206 zeta(25)=-4.101152235968402e-09 Stats: nr=11 min=5 max=538 Emax=8.009135995631873 nrkept=596 nrkeptmult=596 Kept: 596 out of 2388, ratio=0.25 Memory used: 239 MB Time elapsed: 122 s ***** [DM] Iteration 26/30 (scale 0.00014809046486667974) ***** [1] xi(25)=0.0001480901843674674 xi_scaled(25)=0.9999981058928232 zeta(26)=4.185208573454377e-09 [2] xi(25)=0.0001480906011587077 xi_scaled(25)=1.00000092032953 zeta(26)=-2.090639110010409e-09 Stats: nr=11 min=4 max=542 Emax=8.000388129397418 nrkept=560 nrkeptmult=560 Kept: 560 out of 2384, ratio=0.235 Memory used: 239 MB Time elapsed: 123 s ***** [DM] Iteration 27/30 (scale 0.00010471577193629741) ***** [1] xi(26)=0.0001047158599496776 xi_scaled(26)=1.000000840497841 zeta(27)=2.163054086534993e-09 [2] xi(26)=0.0001047157235433272 xi_scaled(26)=0.9999995378635969 zeta(27)=-1.080517250188395e-09 Stats: nr=11 min=5 max=502 Emax=8.004202136869068 nrkept=576 nrkeptmult=576 Kept: 576 out of 2240, ratio=0.257 Memory used: 239 MB Time elapsed: 123 s ***** [DM] Iteration 28/30 (scale 7.4045232433339868e-05) ***** [1] xi(27)=7.404508900169557e-05 xi_scaled(27)=0.9999980629185757 zeta(28)=1.104000856729927e-09 [2] xi(27)=7.404530247515629e-05 xi_scaled(27)=1.000000945932832 zeta(28)=-5.515121255770884e-10 Stats: nr=11 min=4 max=523 Emax=8.003813960527665 nrkept=545 nrkeptmult=545 Kept: 545 out of 2304, ratio=0.237 Memory used: 239 MB Time elapsed: 123 s ***** [DM] Iteration 29/30 (scale 5.2357885968148706e-05) ***** [1] xi(28)=5.235782413291136e-05 xi_scaled(28)=0.9999988189890365 zeta(29)=5.752706585977972e-10 [2] xi(28)=5.235791330622234e-05 xi_scaled(28)=1.000000522138607 zeta(29)=-2.873922389955617e-10 Stats: nr=11 min=5 max=487 Emax=8.001216173703307 nrkept=567 nrkeptmult=567 Kept: 567 out of 2180, ratio=0.26 Memory used: 239 MB Time elapsed: 124 s ***** [DM] Iteration 30/30 (scale 3.7022616216669934e-05) ***** [1] xi(29)=3.702255026664417e-05 xi_scaled(29)=0.9999982186557163 zeta(30)=2.947514276338213e-10 [2] xi(29)=3.702264780064577e-05 xi_scaled(29)=1.000000853099512 zeta(30)=-1.472579494078327e-10 Stats: nr=11 min=4 max=511 Emax=8.004069520709098 nrkept=2268 nrkeptmult=2268 Kept: 2268 out of 2268, ratio=1 Memory used: 239 MB Time elapsed: 124 s ** Iteration completed. Spectrum: A_d_d-A_d_d FDM [A_d_d-A_d_d] pos=0.4429438908315655 neg=0.5570561091680579 sum= 0.9999999999996234 mu1=-0.007110633584370987 mu2=0.03344205929259662 mu3=0.0006996804486121052 mu4=0.01342047366332998 f=0.4429438908315655 b=0.4429438908315655 Spectrum: A_d_u-A_d_u FDM [A_d_u-A_d_u] pos=0.6401396605697179 neg=0.3598603394297756 sum= 0.9999999999994935 mu1=0.002883834042156448 mu2=0.002605105560532739 mu3=-9.143509988054433e-05 mu4=0.000801108272333433 f=0.6401396605697179 b=0.6401396605697179 Spectrum: self_d_d-A_d_d FDM [self_d_d-A_d_d] pos=-0.0004392165908498885 neg=-0.006567766437653949 sum= -0.007006983028503837 mu1=0.0006333507454552542 mu2=-0.0002356353836551704 mu3=3.945186513766704e-05 mu4=-9.310162625646298e-05 f=-0.0004392165908498885 b=-0.0004392165908498885 Spectrum: self_d_u-A_d_u FDM [self_d_u-A_d_u] pos=0.004490677652521513 neg=-0.001637872194083492 sum= 0.002852805458438021 mu1=0.0006332539137702873 mu2=4.261394470793578e-05 mu3=5.994571801303947e-05 mu4=1.240374732436063e-05 f=0.004490677652521513 b=0.004490677652521513 Memory usage report =================== after diag: 456224 kB after recalc: 554312 kB after split: 456224 kB after trim: 456224 kB after trunc: 456224 kB diag_h: 252240 kB Peak usage: 554312 kB Timing report ============= All: 124 s DM: 2 s FDM: 10 s diag: 47 s recalc d: 32 s recalc s: 1 s spec d: 24 s Other: 5 s