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=/work/zitko/nrg/work.kaih4t8U5i substeps=0 Ninit=0 Lambda=2 strategy=kept lastall=0 lastalloverride=0 z=0.875 discretization=Z band=flat bandrescale=1 betabar=1 T=-999 keep=10000 keepenergy=9 keepmin=0 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=100 accumulation=0 linstep=0 discard_trim=1e-16 discard_immediately=1e-16 NN1=0 NN2even=1 NN2avg=0 NNtanh=0 goodE=2 savebins=0 broaden=1 broaden_max=2.5 broaden_min=-99 broaden_min_ratio=3 broaden_ratio=1.05 dumpenergies=0 dumpannotated=0 dumpscaled=1 dumpabs=0 dumpprecision=8 dumpgroups=1 grouptol=1e-06 dumpdiagonal=0 ops=A_d specs= specd= spect= specq= specot= reim=0 specgt=A_d-A_d gtp=0.7 speci1t=A_d-A_d speci2t=A_d-A_d specchit= chitp=1 chitp_ratio=-999 dm=0 T0opt=-1 dmnrg=0 cfs=0 cfsgt=0 cfsls=0 fdm=0 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=0 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: QS invdim=2 0 Q additive 1 SS additive I=(0 1) [0 (additive), 1 (additive)] singlet QNs=(0 1) mult=1 >> Using sneg version 1.250 V8 >> Number of channels, impurities, chain sites, subspaces: channels=1 impurities=1 Nmax=66 subspaces=6 Reading <||||> (e) Reading <||A_d||> (d) Reading <||||> (z) length_coef_table=66 Nmax=66 Number of invariant subspaces: 6 (-2 1) 1 states 0.04766379464362366 (-1 2) 2 states 0.02262502701221026 0.06820805887031227 (0 1) 3 states 0 0.04766379464362366 0.09083308588252255 (0 3) 1 states 0.04316929123889886 (1 2) 2 states 0.02262502701221026 0.06820805887031227 (2 1) 1 states 0.04766379464362366 Number of states (multiplicity taken into account): 16 Computing the following operators: s=[] p=[] g=[] d=[A_d ] v=[] t=[] q=[] ot=[] Computing the following spectra: Spectrum: A_d-A_d GT Spectrum: A_d-A_d I1T Spectrum: A_d-A_d I2T Before NRG iteration (N=-1) GT[A_d-A_d]=0.3209484103476996 I1T[A_d-A_d]=-1.084202172485504e-19 I2T[A_d-A_d]=0.0002123395005586893 ***** [NRG] Iteration 1/66 (scale 0.78663504898361736) ***** [1] xi(0)=0.570631273331312 xi_scaled(0)=0.7254078928578176 zeta(1)=0 Stats: nr=10 min=1 max=8 Emax=2.910798297102503 nrkept=35 nrkeptmult=64 Total energy=-1.142367980511329 Egs=-1.39117045756762 Kept: 35 out of 35, ratio=1 GT[A_d-A_d]=0.4538027770988614 I1T[A_d-A_d]=1.588356182691264e-17 I2T[A_d-A_d]=0.0002346886949218681 Memory used: 46 MB Time elapsed: 0 s ***** [NRG] Iteration 2/66 (scale 0.55623497745532779) ***** [1] xi(1)=0.4634806902856338 xi_scaled(1)=0.8332462162051949 zeta(2)=0 Stats: nr=15 min=1 max=20 Emax=5.403141794218254 nrkept=126 nrkeptmult=256 Total energy=-1.500208227047465 Egs=-0.6433256825616913 Kept: 126 out of 126, ratio=1 GT[A_d-A_d]=0.6415303178585918 I1T[A_d-A_d]=1.424353663443886e-16 I2T[A_d-A_d]=0.0002906969107036095 Memory used: 46 MB Time elapsed: 0 s ***** [NRG] Iteration 3/66 (scale 0.39331752449180868) ***** [1] xi(2)=0.3618794002378454 xi_scaled(2)=0.9200693528858563 zeta(3)=0 Stats: nr=21 min=1 max=75 Emax=9.240245331328145 nrkept=439 nrkeptmult=984 Total energy=-2.08428932512612 Egs=-1.48501162981061 Kept: 439 out of 462, ratio=0.95 GT[A_d-A_d]=0.9067355938392803 I1T[A_d-A_d]=6.40003695385246e-16 I2T[A_d-A_d]=0.0003208345014864498 Memory used: 63 MB Time elapsed: 0 s ***** [NRG] Iteration 4/66 (scale 0.2781174887276639) ***** [1] xi(3)=0.2652935655025342 xi_scaled(3)=0.9538902667221801 zeta(4)=0 Stats: nr=28 min=1 max=197 Safeguard: keep additional 5 states Emax=9.543286969265552 nrkept=1008 nrkeptmult=2416 Total energy=-2.309431264108161 Egs=-0.8095209690409041 Kept: 1008 out of 1634, ratio=0.617 GT[A_d-A_d]=1.281178045022834 I1T[A_d-A_d]=1.669584004453978e-15 I2T[A_d-A_d]=0.0003448248778917617 Memory used: 66 MB Time elapsed: 0 s ***** [NRG] Iteration 5/66 (scale 0.19665876224590434) ***** [1] xi(4)=0.1913534496471799 xi_scaled(4)=0.973022749974951 zeta(5)=0 Stats: nr=36 min=1 max=454 Emax=9.248719802735476 nrkept=1180 nrkeptmult=2864 Total energy=-2.602472323263919 Egs=-1.490099173864096 Kept: 1180 out of 3781, ratio=0.312 GT[A_d-A_d]=1.809495165847306 I1T[A_d-A_d]=1.126911426570638e-15 I2T[A_d-A_d]=0.0003593674214915761 Memory used: 76 MB Time elapsed: 0 s ***** [NRG] Iteration 6/66 (scale 0.13905874436383195) ***** [1] xi(5)=0.1370547285041576 xi_scaled(5)=0.9855887102329137 zeta(6)=0 Stats: nr=38 min=2 max=474 Safeguard: keep additional 2 states Emax=9.524465804026102 nrkept=1395 nrkeptmult=3369 Total energy=-2.723993630665535 Egs=-0.8738846877810809 Kept: 1395 out of 4436, ratio=0.314 GT[A_d-A_d]=2.554004309716099 I1T[A_d-A_d]=9.993049948962981e-16 I2T[A_d-A_d]=0.0003793708853068534 Memory used: 81 MB Time elapsed: 0 s ***** [NRG] Iteration 7/66 (scale 0.09832938112295217) ***** [1] xi(6)=0.09760553315630538 xi_scaled(6)=0.9926385383658453 zeta(7)=0 Stats: nr=36 min=1 max=625 Emax=9.242286417196366 nrkept=1216 nrkeptmult=2944 Total energy=-2.869090979525129 Egs=-1.475625567887614 Kept: 1216 out of 5241, ratio=0.232 GT[A_d-A_d]=3.601326891396018 I1T[A_d-A_d]=-1.77043957310985e-15 I2T[A_d-A_d]=0.0004015985977050851 Memory used: 75 MB Time elapsed: 1 s ***** [NRG] Iteration 8/66 (scale 0.069529372181915974) ***** [1] xi(7)=0.06927135648332743 xi_scaled(7)=0.9962891122055082 zeta(8)=0 Stats: nr=38 min=2 max=491 Safeguard: keep additional 5 states Emax=9.563950490101501 nrkept=1398 nrkeptmult=3376 Total energy=-2.932547199915431 Egs=-0.9126534355045762 Kept: 1398 out of 4570, ratio=0.306 GT[A_d-A_d]=5.070035245287147 I1T[A_d-A_d]=-6.056712325272431e-15 I2T[A_d-A_d]=0.0004358404530858491 Memory used: 84 MB Time elapsed: 1 s ***** [NRG] Iteration 9/66 (scale 0.049164690561476085) ***** [1] xi(8)=0.04907312574891266 xi_scaled(8)=0.9981375899752906 zeta(9)=0 Stats: nr=36 min=1 max=626 Emax=9.257780253789708 nrkept=1216 nrkeptmult=2944 Total energy=-3.003632319634101 Egs=-1.445857156972928 Kept: 1216 out of 5253, ratio=0.231 GT[A_d-A_d]=7.119705846583241 I1T[A_d-A_d]=-1.250033509981387e-14 I2T[A_d-A_d]=0.0004781828674527442 Memory used: 75 MB Time elapsed: 2 s ***** [NRG] Iteration 10/66 (scale 0.034764686090957987) ***** [1] xi(9)=0.03473225385881727 xi_scaled(9)=0.9990670926222127 zeta(10)=0 Stats: nr=38 min=2 max=491 Safeguard: keep additional 2 states Emax=9.581911489254207 nrkept=1395 nrkeptmult=3369 Total energy=-3.036476501753895 Egs=-0.9447570455220348 Kept: 1395 out of 4570, ratio=0.305 GT[A_d-A_d]=9.955298069351796 I1T[A_d-A_d]=-2.017007313796388e-14 I2T[A_d-A_d]=0.0005375627078925639 Memory used: 75 MB Time elapsed: 2 s ***** [NRG] Iteration 11/66 (scale 0.024582345280738042) ***** [1] xi(10)=0.02457086838569126 xi_scaled(10)=0.9995331244876878 zeta(11)=0 Stats: nr=36 min=1 max=625 Emax=9.292965096902078 nrkept=1216 nrkeptmult=2944 Total energy=-3.071142962070265 Egs=-1.410217777045607 Kept: 1216 out of 5241, ratio=0.232 GT[A_d-A_d]=13.82201490734622 I1T[A_d-A_d]=-2.908955361645784e-14 I2T[A_d-A_d]=0.0006091789709050687 Memory used: 79 MB Time elapsed: 3 s ***** [NRG] Iteration 12/66 (scale 0.017382343045478994) ***** [1] xi(11)=0.01737828352472108 xi_scaled(11)=0.9997664572176899 zeta(12)=0 Stats: nr=38 min=2 max=491 Safeguard: keep additional 1 states Emax=9.040734581844877 nrkept=1352 nrkeptmult=3268 Total energy=-3.088090719081447 Egs=-0.974998420341863 Kept: 1352 out of 4570, ratio=0.296 GT[A_d-A_d]=18.95864602169263 I1T[A_d-A_d]=-3.677525062221941e-14 I2T[A_d-A_d]=0.0006971738913932763 Memory used: 86 MB Time elapsed: 3 s ***** [NRG] Iteration 13/66 (scale 0.012291172640369021) ***** [1] xi(12)=0.01228973706095222 xi_scaled(12)=0.999883202403969 zeta(13)=0 Stats: nr=36 min=1 max=602 Safeguard: keep additional 1 states Emax=9.000859758559953 nrkept=1110 nrkeptmult=2702 Total energy=-3.104971242746147 Egs=-1.373385937909419 Kept: 1110 out of 5077, ratio=0.219 GT[A_d-A_d]=25.48469765957189 I1T[A_d-A_d]=-4.219998505471795e-14 I2T[A_d-A_d]=0.0007863716639249298 Memory used: 77 MB Time elapsed: 4 s ***** [NRG] Iteration 14/66 (scale 0.0086911715227394968) ***** [1] xi(13)=0.008690663911886555 xi_scaled(13)=0.9999415946571054 zeta(14)=0 Stats: nr=38 min=1 max=456 Safeguard: keep additional 2 states Emax=9.002398734992353 nrkept=1114 nrkeptmult=2716 Total energy=-3.11369333114652 Egs=-1.003557273901759 Kept: 1114 out of 4184, ratio=0.266 GT[A_d-A_d]=33.14113056479787 I1T[A_d-A_d]=-4.184998701750597e-14 I2T[A_d-A_d]=0.0008598371906283884 Memory used: 84 MB Time elapsed: 4 s ***** [NRG] Iteration 15/66 (scale 0.0061455863201845106) ***** [1] xi(14)=0.006145406842595647 xi_scaled(14)=0.9999707956931181 zeta(15)=0 Stats: nr=34 min=1 max=510 Safeguard: keep additional 1 states Emax=9.02720523642987 nrkept=1027 nrkeptmult=2512 Total energy=-3.121909977257504 Egs=-1.336999544534493 Kept: 1027 out of 4193, ratio=0.245 GT[A_d-A_d]=40.98838235346622 I1T[A_d-A_d]=-2.927331741436467e-14 I2T[A_d-A_d]=0.0008758489367323932 Memory used: 75 MB Time elapsed: 4 s ***** [NRG] Iteration 16/66 (scale 0.0043455857613697484) ***** [1] xi(15)=0.004345522304683365 xi_scaled(15)=0.9999853974377981 zeta(16)=0 Stats: nr=38 min=1 max=416 Emax=9.002639340313518 nrkept=1089 nrkeptmult=2665 Total energy=-3.126393623883717 Egs=-1.031770369387391 Kept: 1089 out of 3870, ratio=0.281 GT[A_d-A_d]=47.28936574672723 I1T[A_d-A_d]=-3.285488336468925e-15 I2T[A_d-A_d]=0.0007988573090579193 Memory used: 82 MB Time elapsed: 5 s ***** [NRG] Iteration 17/66 (scale 0.0030727931600922553) ***** [1] xi(16)=0.003072770724451656 xi_scaled(16)=0.999992698616721 zeta(17)=0 Stats: nr=34 min=1 max=495 Safeguard: keep additional 1 states Emax=9.001162413969315 nrkept=917 nrkeptmult=2238 Total energy=-3.130387405455999 Egs=-1.299723529767809 Kept: 917 out of 4101, ratio=0.224 GT[A_d-A_d]=50.47815742992262 I1T[A_d-A_d]=2.774346960898852e-14 I2T[A_d-A_d]=0.0006200350667459352 Memory used: 83 MB Time elapsed: 5 s ***** [NRG] Iteration 18/66 (scale 0.0021727928806848742) ***** [1] xi(17)=0.002172784948432571 xi_scaled(17)=0.9999963492828176 zeta(18)=0 Stats: nr=38 min=1 max=372 Safeguard: keep additional 4 states Emax=9.00018114028296 nrkept=881 nrkeptmult=2161 Total energy=-3.132697293369171 Egs=-1.063096226845287 Kept: 881 out of 3446, ratio=0.256 GT[A_d-A_d]=50.78271472672333 I1T[A_d-A_d]=4.619909886100686e-14 I2T[A_d-A_d]=0.0003967058861843287 Memory used: 83 MB Time elapsed: 5 s ***** [NRG] Iteration 19/66 (scale 0.0015363965800461277) ***** [1] xi(18)=0.00153639377556162 xi_scaled(18)=0.9999981746350232 zeta(19)=0 Stats: nr=34 min=1 max=403 Safeguard: keep additional 1 states Emax=9.001390330580035 nrkept=755 nrkeptmult=1868 Total energy=-3.134630736974204 Egs=-1.258427433478989 Kept: 755 out of 3314, ratio=0.228 GT[A_d-A_d]=50.64771985589766 I1T[A_d-A_d]=4.325198578740592e-14 I2T[A_d-A_d]=0.0002100871707908654 Memory used: 83 MB Time elapsed: 5 s ***** [NRG] Iteration 20/66 (scale 0.0010863964403424371) ***** [1] xi(19)=0.001086395448805696 xi_scaled(19)=0.9999990873159154 zeta(20)=0 Stats: nr=36 min=1 max=310 Safeguard: keep additional 3 states Emax=9.004796529903698 nrkept=732 nrkeptmult=1852 Total energy=-3.135827238456085 Egs=-1.101348860737343 Kept: 732 out of 2844, ratio=0.257 GT[A_d-A_d]=52.6565806655968 I1T[A_d-A_d]=2.790748313966421e-14 I2T[A_d-A_d]=9.916577794525097e-05 Memory used: 83 MB Time elapsed: 5 s ***** [NRG] Iteration 21/66 (scale 0.00076819829002306383) ***** [1] xi(20)=0.0007681979394615806 xi_scaled(20)=0.9999995436575584 zeta(21)=0 Stats: nr=34 min=1 max=338 Emax=9.019839644702724 nrkept=650 nrkeptmult=1620 Total energy=-3.13675680756878 Egs=-1.210064022229614 Kept: 650 out of 2769, ratio=0.235 GT[A_d-A_d]=57.58113618448514 I1T[A_d-A_d]=1.451451253278176e-14 I2T[A_d-A_d]=4.710130397174869e-05 Memory used: 83 MB Time elapsed: 5 s ***** [NRG] Iteration 22/66 (scale 0.00054319822017121855) ***** [1] xi(21)=0.0005431980962289633 xi_scaled(21)=0.9999997718286795 zeta(22)=0 Stats: nr=36 min=1 max=270 Safeguard: keep additional 2 states Emax=9.006052810219639 nrkept=634 nrkeptmult=1604 Total energy=-3.137381188856981 Egs=-1.149453854992765 Kept: 634 out of 2448, ratio=0.259 GT[A_d-A_d]=65.33116916727626 I1T[A_d-A_d]=6.494098533276952e-15 I2T[A_d-A_d]=2.416067993615373e-05 Memory used: 83 MB Time elapsed: 5 s ***** [NRG] Iteration 23/66 (scale 0.00038409914501153191) ***** [1] xi(22)=0.0003840991011913177 xi_scaled(22)=0.9999998859143148 zeta(23)=0 Stats: nr=33 min=1 max=293 Safeguard: keep additional 1 states Emax=9.00499081473906 nrkept=612 nrkeptmult=1540 Total energy=-3.137823981331202 Egs=-1.15280775802789 Kept: 612 out of 2398, ratio=0.255 GT[A_d-A_d]=75.46968410857436 I1T[A_d-A_d]=2.620535444440981e-15 I2T[A_d-A_d]=1.330408204696809e-05 Memory used: 83 MB Time elapsed: 6 s ***** [NRG] Iteration 24/66 (scale 0.00027159911008560927) ***** [1] xi(23)=0.0002715990945928223 xi_scaled(23)=0.9999999429571512 zeta(24)=0 Stats: nr=36 min=1 max=259 Safeguard: keep additional 1 states Emax=9.008900798146168 nrkept=605 nrkeptmult=1509 Total energy=-3.138152416670305 Egs=-1.209265151859678 Kept: 605 out of 2312, ratio=0.262 GT[A_d-A_d]=88.24486155315152 I1T[A_d-A_d]=4.485315800210562e-16 I2T[A_d-A_d]=7.574909674120606e-06 Memory used: 83 MB Time elapsed: 6 s ***** [NRG] Iteration 25/66 (scale 0.00019204957250576596) ***** [1] xi(24)=0.0001920495670282383 xi_scaled(24)=0.999999971478574 zeta(25)=0 Stats: nr=33 min=1 max=285 Emax=9.02503628790952 nrkept=592 nrkeptmult=1476 Total energy=-3.138361152018541 Egs=-1.086882649688141 Kept: 592 out of 2289, ratio=0.259 GT[A_d-A_d]=103.6587999329851 I1T[A_d-A_d]=-6.306148645605241e-16 I2T[A_d-A_d]=4.405690971798585e-06 Memory used: 83 MB Time elapsed: 6 s ***** [NRG] Iteration 26/66 (scale 0.00013579955504280464) ***** [1] xi(25)=0.0001357995531062061 xi_scaled(25)=0.9999999857392866 zeta(26)=0 Stats: nr=36 min=1 max=251 Emax=9.001201499060874 nrkept=557 nrkeptmult=1349 Total energy=-3.138535079015914 Egs=-1.280762645485586 Kept: 557 out of 2234, ratio=0.249 GT[A_d-A_d]=122.0833949098235 I1T[A_d-A_d]=-1.201310955921969e-15 I2T[A_d-A_d]=2.592254150448275e-06 Memory used: 83 MB Time elapsed: 6 s ***** [NRG] Iteration 27/66 (scale 9.6024786252882978e-05) ***** [1] xi(26)=9.602478556819199e-05 xi_scaled(26)=0.9999999928696431 zeta(27)=0 Stats: nr=33 min=1 max=272 Safeguard: keep additional 1 states Emax=9.02152525481374 nrkept=573 nrkeptmult=1412 Total energy=-3.138632637080496 Egs=-1.015967526608589 Kept: 573 out of 2097, ratio=0.273 GT[A_d-A_d]=143.5332111737068 I1T[A_d-A_d]=-1.31541348707973e-15 I2T[A_d-A_d]=1.534302982897814e-06 Memory used: 83 MB Time elapsed: 6 s ***** [NRG] Iteration 28/66 (scale 6.7899777521402319e-05) ***** [1] xi(27)=6.78997772793275e-05 xi_scaled(27)=0.9999999964348216 zeta(28)=0 Stats: nr=36 min=1 max=240 Emax=9.000419307054218 nrkept=522 nrkeptmult=1260 Total energy=-3.138724975472014 Egs=-1.359921856712723 Kept: 522 out of 2158, ratio=0.242 GT[A_d-A_d]=167.6335632360954 I1T[A_d-A_d]=-1.268448931373493e-15 I2T[A_d-A_d]=9.137643033449598e-07 Memory used: 83 MB Time elapsed: 6 s ***** [NRG] Iteration 29/66 (scale 4.8012393126441489e-05) ***** [1] xi(28)=4.801239304085511e-05 xi_scaled(28)=0.9999999982174107 zeta(29)=0 Stats: nr=33 min=1 max=255 Safeguard: keep additional 1 states Emax=9.007730584480665 nrkept=545 nrkeptmult=1326 Total energy=-3.138770492021903 Egs=-0.9480166874700358 Kept: 545 out of 1962, ratio=0.278 GT[A_d-A_d]=193.9805566967244 I1T[A_d-A_d]=-1.068183601547733e-15 I2T[A_d-A_d]=5.408867770109628e-07 Memory used: 83 MB Time elapsed: 6 s ***** [NRG] Iteration 30/66 (scale 3.3949888760701159e-05) ***** [1] xi(29)=3.394988873044181e-05 xi_scaled(29)=0.9999999991087054 zeta(30)=0 Stats: nr=36 min=1 max=232 Emax=9.0143147256654 nrkept=493 nrkeptmult=1195 Total energy=-3.138819284130332 Egs=-1.437180215040358 Kept: 493 out of 2052, ratio=0.24 GT[A_d-A_d]=220.4949685009503 I1T[A_d-A_d]=-8.380520885251345e-16 I2T[A_d-A_d]=3.203722124082674e-07 Memory used: 83 MB Time elapsed: 6 s ***** [NRG] Iteration 31/66 (scale 2.4006196563220745e-05) ***** [1] xi(30)=2.400619655252245e-05 xi_scaled(30)=0.9999999995543527 zeta(31)=0 Stats: nr=33 min=1 max=237 Emax=9.016412570266532 nrkept=511 nrkeptmult=1232 Total energy=-3.138840704749779 Egs=-0.8922954283915723 Kept: 511 out of 1850, ratio=0.276 GT[A_d-A_d]=246.4421157404697 I1T[A_d-A_d]=-5.948697764013721e-16 I2T[A_d-A_d]=1.855959978397347e-07 Memory used: 83 MB Time elapsed: 6 s ***** [NRG] Iteration 32/66 (scale 1.697494438035058e-05) ***** [1] xi(31)=1.697494437656816e-05 xi_scaled(31)=0.9999999997771764 zeta(32)=0 Stats: nr=36 min=1 max=218 Safeguard: keep additional 5 states Emax=9.070366810786721 nrkept=464 nrkeptmult=1102 Total energy=-3.138866183142498 Egs=-1.500941160611865 Kept: 464 out of 1918, ratio=0.242 GT[A_d-A_d]=268.2183596450257 I1T[A_d-A_d]=-3.872773716994856e-16 I2T[A_d-A_d]=1.066055491312849e-07 Memory used: 83 MB Time elapsed: 6 s ***** [NRG] Iteration 33/66 (scale 1.2003098281610372e-05) ***** [1] xi(32)=1.200309828027309e-05 xi_scaled(32)=0.9999999998885881 zeta(33)=0 Stats: nr=33 min=1 max=227 Safeguard: keep additional 2 states Emax=9.004285498781762 nrkept=476 nrkeptmult=1138 Total energy=-3.13887642710811 Egs=-0.8534434503219632 Kept: 476 out of 1741, ratio=0.273 GT[A_d-A_d]=286.6973075436749 I1T[A_d-A_d]=-2.370210209352142e-16 I2T[A_d-A_d]=5.899811180421117e-08 Memory used: 83 MB Time elapsed: 6 s ***** [NRG] Iteration 34/66 (scale 8.4874721901752898e-06) ***** [1] xi(33)=8.487472189702488e-06 xi_scaled(33)=0.9999999999442941 zeta(34)=0 Stats: nr=34 min=1 max=204 Safeguard: keep additional 3 states Emax=9.015487849729707 nrkept=408 nrkeptmult=958 Total energy=-3.138889542296826 Egs=-1.545240846995159 Kept: 408 out of 1786, ratio=0.228 GT[A_d-A_d]=298.5278738566049 I1T[A_d-A_d]=-1.220151820787657e-16 I2T[A_d-A_d]=3.220378041365735e-08 Memory used: 83 MB Time elapsed: 6 s ***** [NRG] Iteration 35/66 (scale 6.0015491408051861e-06) ***** [1] xi(34)=6.001549140638025e-06 xi_scaled(34)=0.9999999999721471 zeta(35)=0 Stats: nr=31 min=1 max=205 Safeguard: keep additional 3 states Emax=9.00060499332996 nrkept=426 nrkeptmult=1014 Total energy=-3.138894521753046 Egs=-0.8296951508246131 Kept: 426 out of 1530, ratio=0.278 GT[A_d-A_d]=307.8876386541132 I1T[A_d-A_d]=-5.903406052056197e-17 I2T[A_d-A_d]=1.690531707844266e-08 Memory used: 83 MB Time elapsed: 6 s ***** [NRG] Iteration 36/66 (scale 4.2437360950876449e-06) ***** [1] xi(35)=4.243736095028545e-06 xi_scaled(35)=0.9999999999860736 zeta(36)=0 Stats: nr=32 min=1 max=182 Safeguard: keep additional 1 states Emax=9.000575924530665 nrkept=389 nrkeptmult=907 Total energy=-3.138901193304012 Egs=-1.572093744029636 Kept: 389 out of 1596, ratio=0.244 GT[A_d-A_d]=311.6950713975294 I1T[A_d-A_d]=-1.571096232029733e-17 I2T[A_d-A_d]=8.826757516293533e-09 Memory used: 83 MB Time elapsed: 6 s ***** [NRG] Iteration 37/66 (scale 3.0007745704025931e-06) ***** [1] xi(36)=3.000774570381698e-06 xi_scaled(36)=0.9999999999930368 zeta(37)=0 Stats: nr=31 min=1 max=195 Emax=9.013025231789122 nrkept=375 nrkeptmult=844 Total energy=-3.138903643149701 Egs=-0.8164044419113753 Kept: 375 out of 1456, ratio=0.258 GT[A_d-A_d]=315.7279307035255 I1T[A_d-A_d]=-7.143463941197718e-18 I2T[A_d-A_d]=4.465832408842429e-09 Memory used: 83 MB Time elapsed: 6 s ***** [NRG] Iteration 38/66 (scale 2.1218680475438225e-06) ***** [1] xi(37)=2.121868047536435e-06 xi_scaled(37)=0.9999999999965185 zeta(38)=0 Stats: nr=28 min=1 max=167 Emax=9.010531023057537 nrkept=345 nrkeptmult=793 Total energy=-3.138907010549804 Egs=-1.58699788499882 Kept: 345 out of 1396, ratio=0.247 GT[A_d-A_d]=315.8519649986627 I1T[A_d-A_d]=6.060785435400536e-19 I2T[A_d-A_d]=2.278819124645912e-09 Memory used: 83 MB Time elapsed: 6 s ***** [NRG] Iteration 39/66 (scale 1.5003872852012965e-06) ***** [1] xi(38)=1.500387285198685e-06 xi_scaled(38)=0.9999999999982593 zeta(39)=0 Stats: nr=31 min=1 max=175 Emax=9.258870787115121 nrkept=375 nrkeptmult=844 Total energy=-3.138908224881923 Egs=-0.8093457808968049 Kept: 375 out of 1286, ratio=0.292 GT[A_d-A_d]=318.0726001137151 I1T[A_d-A_d]=-9.395936306183716e-19 I2T[A_d-A_d]=1.136718963864742e-09 Memory used: 83 MB Time elapsed: 6 s ***** [NRG] Iteration 40/66 (scale 1.0609340237719112e-06) ***** [1] xi(39)=1.060934023770988e-06 xi_scaled(39)=0.9999999999991296 zeta(40)=0 Stats: nr=28 min=1 max=167 Safeguard: keep additional 1 states Emax=9.017269685845056 nrkept=329 nrkeptmult=739 Total energy=-3.138909916929491 Egs=-1.594865967280465 Kept: 329 out of 1396, ratio=0.236 GT[A_d-A_d]=316.9637747310481 I1T[A_d-A_d]=7.034567267916337e-19 I2T[A_d-A_d]=5.746683074954846e-10 Memory used: 83 MB Time elapsed: 6 s ***** [NRG] Iteration 41/66 (scale 7.5019364260064827e-07) ***** [1] xi(40)=7.501936426003217e-07 xi_scaled(40)=0.9999999999995648 zeta(41)=0 Stats: nr=29 min=2 max=170 Emax=9.399107775174102 nrkept=375 nrkeptmult=844 Total energy=-3.138910521363475 Egs=-0.8057039542535107 Kept: 375 out of 1223, ratio=0.307 GT[A_d-A_d]=318.7094652119459 I1T[A_d-A_d]=-1.10695212087255e-18 I2T[A_d-A_d]=2.855820648745736e-10 Memory used: 83 MB Time elapsed: 6 s ***** [NRG] Iteration 42/66 (scale 5.3046701188595561e-07) ***** [1] xi(41)=5.304670118858402e-07 xi_scaled(41)=0.9999999999997824 zeta(42)=0 Stats: nr=28 min=1 max=167 Safeguard: keep additional 1 states Emax=9.154844179574544 nrkept=329 nrkeptmult=739 Total energy=-3.138911369532738 Egs=-1.598910477599252 Kept: 329 out of 1396, ratio=0.236 GT[A_d-A_d]=317.2522930232383 I1T[A_d-A_d]=-8.228147532799728e-19 I2T[A_d-A_d]=1.4409461663388e-10 Memory used: 83 MB Time elapsed: 6 s ***** [NRG] Iteration 43/66 (scale 3.7509682130032413e-07) ***** [1] xi(42)=3.750968213002833e-07 xi_scaled(42)=0.9999999999998912 zeta(43)=0 Stats: nr=29 min=2 max=170 Emax=9.472101649749032 nrkept=375 nrkeptmult=844 Total energy=-3.138911671055675 Egs=-0.8038536174197149 Kept: 375 out of 1223, ratio=0.307 GT[A_d-A_d]=318.8819750829487 I1T[A_d-A_d]=-1.701458821233293e-18 I2T[A_d-A_d]=7.1487274684503e-11 Memory used: 83 MB Time elapsed: 6 s ***** [NRG] Iteration 44/66 (scale 2.6523350594297781e-07) ***** [1] xi(43)=2.652335059429634e-07 xi_scaled(43)=0.9999999999999455 zeta(44)=0 Stats: nr=28 min=1 max=167 Emax=9.195705896781657 nrkept=328 nrkeptmult=738 Total energy=-3.138912095684227 Egs=-1.600961198677548 Kept: 328 out of 1396, ratio=0.235 GT[A_d-A_d]=317.3212407538819 I1T[A_d-A_d]=-6.881979328270211e-19 I2T[A_d-A_d]=3.60498365760262e-11 Memory used: 83 MB Time elapsed: 7 s ***** [NRG] Iteration 45/66 (scale 1.8754841065016207e-07) ***** [1] xi(44)=1.87548410650157e-07 xi_scaled(44)=0.9999999999999728 zeta(45)=0 Stats: nr=29 min=2 max=169 Emax=9.509304505384591 nrkept=375 nrkeptmult=844 Total energy=-3.138912246270769 Egs=-0.8029209189132727 Kept: 375 out of 1219, ratio=0.308 GT[A_d-A_d]=318.9305155240231 I1T[A_d-A_d]=-3.596028126345919e-19 I2T[A_d-A_d]=1.787783376011483e-11 Memory used: 83 MB Time elapsed: 7 s ***** [NRG] Iteration 46/66 (scale 1.326167529714889e-07) ***** [1] xi(45)=1.326167529714871e-07 xi_scaled(45)=0.9999999999999865 zeta(46)=0 Stats: nr=28 min=1 max=167 Emax=9.205358017032019 nrkept=328 nrkeptmult=738 Total energy=-3.138912458721983 Egs=-1.60199378306314 Kept: 328 out of 1396, ratio=0.235 GT[A_d-A_d]=317.3368848288557 I1T[A_d-A_d]=5.987691620572288e-20 I2T[A_d-A_d]=9.015239686430293e-12 Memory used: 83 MB Time elapsed: 7 s ***** [NRG] Iteration 47/66 (scale 9.3774205325081033e-08) ***** [1] xi(46)=9.37742053250804e-08 xi_scaled(46)=0.9999999999999932 zeta(47)=0 Stats: nr=29 min=2 max=169 Emax=9.527649447358415 nrkept=375 nrkeptmult=844 Total energy=-3.138912533971344 Egs=-0.8024526647244135 Kept: 375 out of 1219, ratio=0.308 GT[A_d-A_d]=318.9452213524539 I1T[A_d-A_d]=9.042945251582837e-21 I2T[A_d-A_d]=4.469831056792728e-12 Memory used: 83 MB Time elapsed: 7 s ***** [NRG] Iteration 48/66 (scale 6.6308376485744452e-08) ***** [1] xi(47)=6.630837648574423e-08 xi_scaled(47)=0.9999999999999966 zeta(48)=0 Stats: nr=28 min=1 max=167 Emax=9.210201170433205 nrkept=328 nrkeptmult=738 Total energy=-3.138912640231306 Egs=-1.602511894907507 Kept: 328 out of 1396, ratio=0.235 GT[A_d-A_d]=317.3397164936201 I1T[A_d-A_d]=2.241920021911659e-19 I2T[A_d-A_d]=2.254074691599394e-12 Memory used: 83 MB Time elapsed: 7 s ***** [NRG] Iteration 49/66 (scale 4.6887102662540517e-08) ***** [1] xi(48)=4.688710266254044e-08 xi_scaled(48)=0.9999999999999983 zeta(49)=0 Stats: nr=29 min=2 max=169 Emax=9.535422239403538 nrkept=375 nrkeptmult=844 Total energy=-3.138912677844987 Egs=-0.8022180585982226 Kept: 375 out of 1219, ratio=0.308 GT[A_d-A_d]=318.9498558846314 I1T[A_d-A_d]=2.240371643202537e-19 I2T[A_d-A_d]=1.117473238330634e-12 Memory used: 83 MB Time elapsed: 7 s ***** [NRG] Iteration 50/66 (scale 3.3154188242872226e-08) ***** [1] xi(49)=3.31541882428722e-08 xi_scaled(49)=0.9999999999999992 zeta(50)=0 Stats: nr=28 min=1 max=167 Emax=9.212627513443287 nrkept=328 nrkeptmult=738 Total energy=-3.138912730983572 Egs=-1.602771407510641 Kept: 328 out of 1396, ratio=0.235 GT[A_d-A_d]=317.3395509103329 I1T[A_d-A_d]=3.178383084104247e-19 I2T[A_d-A_d]=5.635462544088518e-13 Memory used: 83 MB Time elapsed: 7 s ***** [NRG] Iteration 51/66 (scale 2.3443551331270258e-08) ***** [1] xi(50)=2.344355133127025e-08 xi_scaled(50)=0.9999999999999996 zeta(51)=0 Stats: nr=29 min=2 max=169 Safeguard: keep additional 1 states Emax=9.538455122578609 nrkept=376 nrkeptmult=850 Total energy=-3.138912749787659 Egs=-0.8021006354331934 Kept: 376 out of 1219, ratio=0.308 GT[A_d-A_d]=318.9524595130604 I1T[A_d-A_d]=1.975644637370187e-19 I2T[A_d-A_d]=2.793736914480757e-13 Memory used: 83 MB Time elapsed: 7 s ***** [NRG] Iteration 52/66 (scale 1.6577094121436113e-08) ***** [1] xi(51)=1.657709412143611e-08 xi_scaled(51)=0.9999999999999998 zeta(52)=0 Stats: nr=28 min=1 max=167 Emax=9.213842212910311 nrkept=328 nrkeptmult=738 Total energy=-3.138912776359105 Egs=-1.602901278197506 Kept: 328 out of 1400, ratio=0.234 GT[A_d-A_d]=317.3387950775596 I1T[A_d-A_d]=1.383751801895717e-19 I2T[A_d-A_d]=1.408895145085019e-13 Memory used: 83 MB Time elapsed: 7 s ***** [NRG] Iteration 53/66 (scale 1.1721775665635129e-08) ***** [1] xi(52)=1.172177566563513e-08 xi_scaled(52)=0.9999999999999999 zeta(53)=0 Stats: nr=29 min=2 max=169 Safeguard: keep additional 1 states Emax=9.539939458189544 nrkept=376 nrkeptmult=850 Total energy=-3.13891278576046 Egs=-0.8020418937931727 Kept: 376 out of 1219, ratio=0.308 GT[A_d-A_d]=318.952616527326 I1T[A_d-A_d]=3.946084499229825e-20 I2T[A_d-A_d]=6.984353546023336e-14 Memory used: 83 MB Time elapsed: 7 s ***** [NRG] Iteration 54/66 (scale 8.2885470607180565e-09) ***** [1] xi(53)=8.288547060718056e-09 xi_scaled(53)=1 zeta(54)=0 Stats: nr=28 min=1 max=167 Emax=9.214449492813946 nrkept=328 nrkeptmult=738 Total energy=-3.138912799046721 Egs=-1.602966242158541 Kept: 328 out of 1400, ratio=0.234 GT[A_d-A_d]=317.3379867412513 I1T[A_d-A_d]=1.288950312101634e-20 I2T[A_d-A_d]=3.52226922520579e-14 Memory used: 83 MB Time elapsed: 7 s ***** [NRG] Iteration 55/66 (scale 5.8608878328175646e-09) ***** [1] xi(54)=5.860887832817565e-09 xi_scaled(54)=1 zeta(55)=0 Stats: nr=29 min=2 max=169 Emax=9.540667339863475 nrkept=375 nrkeptmult=844 Total energy=-3.138912803747226 Egs=-0.8020125154605334 Kept: 375 out of 1219, ratio=0.308 GT[A_d-A_d]=318.951041790586 I1T[A_d-A_d]=-1.414749619869318e-20 I2T[A_d-A_d]=1.746062241561606e-14 Memory used: 83 MB Time elapsed: 7 s ***** [NRG] Iteration 56/66 (scale 4.1442735303590282e-09) ***** [1] xi(55)=4.144273530359028e-09 xi_scaled(55)=1 zeta(56)=0 Stats: nr=28 min=1 max=167 Emax=9.214752853982791 nrkept=328 nrkeptmult=738 Total energy=-3.138912810390492 Egs=-1.602998731293351 Kept: 328 out of 1396, ratio=0.235 GT[A_d-A_d]=317.3372092634413 I1T[A_d-A_d]=-4.320884558421577e-21 I2T[A_d-A_d]=8.805701123244553e-15 Memory used: 83 MB Time elapsed: 7 s ***** [NRG] Iteration 57/66 (scale 2.9304439164087823e-09) ***** [1] xi(56)=2.930443916408782e-09 xi_scaled(56)=1 zeta(57)=0 Stats: nr=29 min=2 max=169 Emax=9.541018327379136 nrkept=375 nrkeptmult=844 Total energy=-3.138912812740701 Egs=-0.801997824418903 Kept: 375 out of 1219, ratio=0.308 GT[A_d-A_d]=318.9505090571503 I1T[A_d-A_d]=-4.812081208261757e-21 I2T[A_d-A_d]=4.365148924512214e-15 Memory used: 83 MB Time elapsed: 7 s ***** [NRG] Iteration 58/66 (scale 2.0721367651795141e-09) ***** [1] xi(57)=2.072136765179514e-09 xi_scaled(57)=1 zeta(58)=0 Stats: nr=28 min=1 max=167 Emax=9.214904735755898 nrkept=328 nrkeptmult=738 Total energy=-3.138912816062367 Egs=-1.603014977648264 Kept: 328 out of 1396, ratio=0.235 GT[A_d-A_d]=317.3364511438987 I1T[A_d-A_d]=1.525165953182929e-21 I2T[A_d-A_d]=2.201426170742243e-15 Memory used: 83 MB Time elapsed: 7 s ***** [NRG] Iteration 59/66 (scale 1.4652219582043911e-09) ***** [1] xi(58)=1.465221958204391e-09 xi_scaled(58)=1 zeta(59)=0 Stats: nr=29 min=2 max=169 Emax=9.541193156166802 nrkept=375 nrkeptmult=844 Total energy=-3.138912817237462 Egs=-0.8019904784310765 Kept: 375 out of 1219, ratio=0.308 GT[A_d-A_d]=318.9498774583425 I1T[A_d-A_d]=-3.574223193034624e-21 I2T[A_d-A_d]=1.091285137022066e-15 Memory used: 83 MB Time elapsed: 7 s ***** [NRG] Iteration 60/66 (scale 1.0360683825897571e-09) ***** [1] xi(59)=1.036068382589757e-09 xi_scaled(59)=1 zeta(60)=0 Stats: nr=28 min=1 max=167 Emax=9.21498068045973 nrkept=328 nrkeptmult=738 Total energy=-3.138912818898303 Egs=-1.603023101271716 Kept: 328 out of 1396, ratio=0.235 GT[A_d-A_d]=317.335709980091 I1T[A_d-A_d]=-2.090341953471187e-21 I2T[A_d-A_d]=5.503560231835359e-16 Memory used: 83 MB Time elapsed: 7 s ***** [NRG] Iteration 61/66 (scale 7.3261097910219557e-10) ***** [1] xi(60)=7.326109791021956e-10 xi_scaled(60)=1 zeta(61)=0 Stats: nr=29 min=2 max=169 Emax=9.541280424951831 nrkept=375 nrkeptmult=844 Total energy=-3.138912819485848 Egs=-0.8019868053213325 Kept: 375 out of 1219, ratio=0.308 GT[A_d-A_d]=318.9491983393053 I1T[A_d-A_d]=-3.22607910986175e-21 I2T[A_d-A_d]=2.728207111799809e-16 Memory used: 83 MB Time elapsed: 7 s ***** [NRG] Iteration 62/66 (scale 5.1803419129487853e-10) ***** [1] xi(61)=5.180341912948785e-10 xi_scaled(61)=1 zeta(62)=0 Stats: nr=28 min=1 max=167 Safeguard: keep additional 3 states Emax=9.215027537351066 nrkept=331 nrkeptmult=741 Total energy=-3.13891282031627 Egs=-1.603027163194516 Kept: 331 out of 1396, ratio=0.237 GT[A_d-A_d]=317.3366276806851 I1T[A_d-A_d]=-1.304368506355225e-21 I2T[A_d-A_d]=1.375902732539987e-16 Memory used: 83 MB Time elapsed: 7 s ***** [NRG] Iteration 63/66 (scale 3.6630548955109779e-10) ***** [1] xi(62)=3.663054895510978e-10 xi_scaled(62)=1 zeta(63)=0 Stats: nr=29 min=2 max=170 Emax=9.541324024003801 nrkept=375 nrkeptmult=844 Total energy=-3.138912820610042 Egs=-0.8019849687379703 Kept: 375 out of 1228, ratio=0.305 GT[A_d-A_d]=318.948563795178 I1T[A_d-A_d]=-1.03201686629144e-21 I2T[A_d-A_d]=6.820506173610621e-17 Memory used: 83 MB Time elapsed: 7 s ***** [NRG] Iteration 64/66 (scale 2.5901709564743927e-10) ***** [1] xi(63)=2.590170956474393e-10 xi_scaled(63)=1 zeta(64)=0 Stats: nr=28 min=1 max=167 Safeguard: keep additional 3 states Emax=9.215042170082233 nrkept=331 nrkeptmult=741 Total energy=-3.138912821025254 Egs=-1.603029194184357 Kept: 331 out of 1396, ratio=0.237 GT[A_d-A_d]=317.3359022419912 I1T[A_d-A_d]=-9.786156530645362e-23 I2T[A_d-A_d]=3.439750197469472e-17 Memory used: 83 MB Time elapsed: 7 s ***** [NRG] Iteration 65/66 (scale 1.8315274477554889e-10) ***** [1] xi(64)=1.831527447755489e-10 xi_scaled(64)=1 zeta(65)=0 Stats: nr=29 min=2 max=170 Safeguard: keep additional 9 states Emax=9.541361816390452 nrkept=384 nrkeptmult=860 Total energy=-3.13891282117214 Egs=-0.8019840504395597 Kept: 384 out of 1228, ratio=0.313 GT[A_d-A_d]=318.9512469298364 I1T[A_d-A_d]=-4.143787127978534e-22 I2T[A_d-A_d]=1.705188417613715e-17 Memory used: 83 MB Time elapsed: 7 s ***** [NRG] Iteration 66/66 (scale 1.2950854782371963e-10) ***** [1] xi(65)=1.295085478237196e-10 xi_scaled(65)=1 zeta(66)=0 Stats: nr=28 min=1 max=171 Safeguard: keep additional 3 states Emax=9.215048980617423 nrkept=331 nrkeptmult=741 Total energy=-3.138912821379745 Egs=-1.603030209686989 Kept: 331 out of 1428, ratio=0.232 GT[A_d-A_d]=317.3352192214975 I1T[A_d-A_d]=-2.439411364174998e-22 I2T[A_d-A_d]=8.599363437701336e-18 Memory used: 83 MB Time elapsed: 7 s ** Iteration completed. Spectrum: A_d-A_d GT Spectrum: A_d-A_d I1T Spectrum: A_d-A_d I2T Total energy: -3.138912821379745 TKW=2.157730192177219e-05 Memory usage report =================== after diag: 91420 kB after recalc: 91812 kB after split: 92800 kB after trim: 88484 kB after trunc: 91420 kB diag_h: 91420 kB Peak usage: 92800 kB Timing report ============= All: 7 s diag: 6 s recalc d: 0 s recalc f: 0 s spec gt: 0 s spec i1t: 0 s spec i2t: 0 s Other: 0 s