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.nCtRbVsOTs substeps=0 Ninit=0 Lambda=2 strategy=kept lastall=0 lastalloverride=0 z=0.375 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=67 subspaces=6 Reading <||||> (e) Reading <||A_d||> (d) Reading <||||> (z) length_coef_table=67 Nmax=67 Number of invariant subspaces: 6 (-2 1) 1 states 0.03370339240958934 (-1 2) 2 states 0.01599831002486269 0.04823038095876905 (0 1) 3 states 0 0.03370339240958934 0.06422869098363176 (0 3) 1 states 0.0305252985740424 (1 2) 2 states 0.01599831002486269 0.04823038095876905 (2 1) 1 states 0.03370339240958934 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]=0.2269757468327535 I1T[A_d-A_d]=5.421010862427522e-20 I2T[A_d-A_d]=0.000150169408760812 ***** [NRG] Iteration 1/67 (scale 1.1124699549106556) ***** [1] xi(0)=0.5875255500562191 xi_scaled(0)=0.528127117018099 zeta(1)=0 Stats: nr=10 min=1 max=8 Emax=2.118933708021301 nrkept=35 nrkeptmult=64 Total energy=-1.176125043310563 Egs=-1.014050311069389 Kept: 35 out of 35, ratio=1 GT[A_d-A_d]=0.3209558014342366 I1T[A_d-A_d]=-4.180954627647226e-18 I2T[A_d-A_d]=0.0001858175577904688 Memory used: 46 MB Time elapsed: 0 s ***** [NRG] Iteration 2/67 (scale 0.78663504898361736) ***** [1] xi(1)=0.563265075285374 xi_scaled(1)=0.7160437054173322 zeta(2)=0 Stats: nr=15 min=1 max=20 Emax=4.228736028380396 nrkept=126 nrkeptmult=256 Total energy=-1.6607359864119 Egs=-0.6160556203635799 Kept: 126 out of 126, ratio=1 GT[A_d-A_d]=0.4538001641751671 I1T[A_d-A_d]=1.136752096533161e-16 I2T[A_d-A_d]=0.0002407420636669142 Memory used: 46 MB Time elapsed: 0 s ***** [NRG] Iteration 3/67 (scale 0.55623497745532779) ***** [1] xi(2)=0.5564793071713967 xi_scaled(2)=1.000439256296299 zeta(3)=0 Stats: nr=21 min=1 max=75 Emax=9.175119259286074 nrkept=460 nrkeptmult=1022 Total energy=-2.55174255874686 Egs=-1.601852829196665 Kept: 460 out of 462, ratio=0.996 GT[A_d-A_d]=0.641534169187471 I1T[A_d-A_d]=5.956420388386965e-17 I2T[A_d-A_d]=0.0002873915346500272 Memory used: 63 MB Time elapsed: 0 s ***** [NRG] Iteration 4/67 (scale 0.39331752449180868) ***** [1] xi(3)=0.4350737693644178 xi_scaled(3)=1.106164211540182 zeta(4)=0 Stats: nr=28 min=1 max=209 Emax=9.674116129744693 nrkept=1259 nrkeptmult=3041 Total energy=-2.939761549556751 Egs=-0.9865286102144456 Kept: 1259 out of 1710, ratio=0.736 GT[A_d-A_d]=0.9067296968886672 I1T[A_d-A_d]=-2.699992197238784e-16 I2T[A_d-A_d]=0.0003252806272714116 Memory used: 67 MB Time elapsed: 0 s ***** [NRG] Iteration 5/67 (scale 0.2781174887276639) ***** [1] xi(4)=0.291952251720296 xi_scaled(4)=1.049744311499157 zeta(5)=0 Stats: nr=36 min=1 max=561 Emax=9.213545615082475 nrkept=1530 nrkeptmult=3776 Total energy=-3.37404677996642 Egs=-1.561517157358368 Kept: 1530 out of 4728, ratio=0.324 GT[A_d-A_d]=1.28117247766121 I1T[A_d-A_d]=-1.878804814280529e-15 I2T[A_d-A_d]=0.0003454602833994421 Memory used: 83 MB Time elapsed: 0 s ***** [NRG] Iteration 6/67 (scale 0.19665876224590434) ***** [1] xi(5)=0.198887846564072 xi_scaled(5)=1.011334782608773 zeta(6)=0 Stats: nr=42 min=1 max=596 Safeguard: keep additional 4 states Emax=9.02841335417704 nrkept=1525 nrkeptmult=3705 Total energy=-3.548593968884973 Egs=-0.887563752182559 Kept: 1525 out of 5766, ratio=0.264 GT[A_d-A_d]=1.809449212951373 I1T[A_d-A_d]=-3.12991116461238e-15 I2T[A_d-A_d]=0.0003621013740429889 Memory used: 79 MB Time elapsed: 1 s ***** [NRG] Iteration 7/67 (scale 0.13905874436383195) ***** [1] xi(6)=0.1393839014041378 xi_scaled(6)=1.00233827107956 zeta(7)=0 Stats: nr=40 min=1 max=682 Emax=9.229700313829577 nrkept=1312 nrkeptmult=3168 Total energy=-3.756924623592659 Egs=-1.498148539027593 Kept: 1312 out of 5737, ratio=0.229 GT[A_d-A_d]=2.553988035028242 I1T[A_d-A_d]=-4.396884117914225e-15 I2T[A_d-A_d]=0.0003778383885241016 Memory used: 83 MB Time elapsed: 2 s ***** [NRG] Iteration 8/67 (scale 0.09832938112295217) ***** [1] xi(7)=0.09839138432455255 xi_scaled(7)=1.000630566376929 zeta(8)=0 Stats: nr=38 min=2 max=532 Safeguard: keep additional 5 states Emax=9.555453204627879 nrkept=1398 nrkeptmult=3376 Total energy=-3.845815010900466 Egs=-0.9040063742154223 Kept: 1398 out of 4930, ratio=0.284 GT[A_d-A_d]=3.601240665575645 I1T[A_d-A_d]=-5.953039065948751e-15 I2T[A_d-A_d]=0.000403215197469615 Memory used: 88 MB Time elapsed: 2 s ***** [NRG] Iteration 9/67 (scale 0.069529372181915974) ***** [1] xi(8)=0.06954449429153776 xi_scaled(8)=1.000217492394182 zeta(9)=0 Stats: nr=36 min=1 max=626 Emax=9.244777570548642 nrkept=1216 nrkeptmult=2944 Total energy=-3.947672023111198 Egs=-1.464949402163946 Kept: 1216 out of 5253, ratio=0.231 GT[A_d-A_d]=5.070039057716996 I1T[A_d-A_d]=-1.023649923197508e-14 I2T[A_d-A_d]=0.0004342220601092568 Memory used: 80 MB Time elapsed: 3 s ***** [NRG] Iteration 10/67 (scale 0.049164690561476085) ***** [1] xi(9)=0.04916898495018655 xi_scaled(9)=1.000087347009844 zeta(10)=0 Stats: nr=38 min=2 max=491 Safeguard: keep additional 5 states Emax=9.5698234719992 nrkept=1398 nrkeptmult=3376 Total energy=-3.993456634364075 Egs=-0.9312498610283528 Kept: 1398 out of 4570, ratio=0.306 GT[A_d-A_d]=7.119470724268047 I1T[A_d-A_d]=-1.603878713268022e-14 I2T[A_d-A_d]=0.0004797387921727195 Memory used: 86 MB Time elapsed: 3 s ***** [NRG] Iteration 11/67 (scale 0.034764686090957987) ***** [1] xi(10)=0.03476602802686612 xi_scaled(10)=1.000038600547251 zeta(11)=0 Stats: nr=36 min=1 max=626 Emax=9.271786204335994 nrkept=1216 nrkeptmult=2944 Total energy=-4.043141493118686 Egs=-1.429176107749569 Kept: 1216 out of 5253, ratio=0.231 GT[A_d-A_d]=9.955436168140102 I1T[A_d-A_d]=-2.281770117606825e-14 I2T[A_d-A_d]=0.0005359970553024745 Memory used: 92 MB Time elapsed: 3 s ***** [NRG] Iteration 12/67 (scale 0.024582345280738042) ***** [1] xi(11)=0.02458278928985373 xi_scaled(11)=1.000018062113708 zeta(12)=0 Stats: nr=38 min=2 max=491 Safeguard: keep additional 4 states Emax=9.055142014325153 nrkept=1387 nrkeptmult=3353 Total energy=-4.066756132830361 Egs=-0.9606341234731051 Kept: 1387 out of 4570, ratio=0.304 GT[A_d-A_d]=13.82132944611491 I1T[A_d-A_d]=-3.132305234416367e-14 I2T[A_d-A_d]=0.00061064312259824 Memory used: 92 MB Time elapsed: 4 s ***** [NRG] Iteration 13/67 (scale 0.017382343045478994) ***** [1] xi(12)=0.01738249470757921 xi_scaled(12)=1.00000872506657 zeta(13)=0 Stats: nr=36 min=1 max=621 Emax=9.320444261752627 nrkept=1216 nrkeptmult=2944 Total energy=-4.09095191810276 Egs=-1.391974902870869 Kept: 1216 out of 5212, ratio=0.233 GT[A_d-A_d]=18.95958396883065 I1T[A_d-A_d]=-3.86290775317269e-14 I2T[A_d-A_d]=0.0006957446000560752 Memory used: 92 MB Time elapsed: 4 s ***** [NRG] Iteration 14/67 (scale 0.012291172640369021) ***** [1] xi(13)=0.01229122532608644 xi_scaled(13)=1.000004286467936 zeta(14)=0 Stats: nr=38 min=2 max=491 Safeguard: keep additional 3 states Emax=9.000164951508179 nrkept=1282 nrkeptmult=3120 Total energy=-4.103115264039856 Egs=-0.9896001214032308 Kept: 1282 out of 4570, ratio=0.281 GT[A_d-A_d]=25.48323389558863 I1T[A_d-A_d]=-4.469237445952072e-14 I2T[A_d-A_d]=0.0007876454231738095 Memory used: 80 MB Time elapsed: 5 s ***** [NRG] Iteration 15/67 (scale 0.0086911715227394968) ***** [1] xi(14)=0.008691189985142938 xi_scaled(14)=1.000002124270979 zeta(15)=0 Stats: nr=36 min=1 max=573 Safeguard: keep additional 1 states Emax=9.000258940116531 nrkept=1092 nrkeptmult=2662 Total energy=-4.114893598940588 Egs=-1.355206817621222 Kept: 1092 out of 4819, ratio=0.227 GT[A_d-A_d]=33.14611296434124 I1T[A_d-A_d]=-4.37609636502463e-14 I2T[A_d-A_d]=0.0008588067362616946 Memory used: 80 MB Time elapsed: 5 s ***** [NRG] Iteration 16/67 (scale 0.0061455863201845106) ***** [1] xi(15)=0.006145592818535903 xi_scaled(15)=1.00000105740137 zeta(16)=0 Stats: nr=38 min=1 max=444 Safeguard: keep additional 1 states Emax=9.155199655208627 nrkept=1102 nrkeptmult=2692 Total energy=-4.121147097038888 Egs=-1.017559232348727 Kept: 1102 out of 4112, ratio=0.268 GT[A_d-A_d]=40.98186248812524 I1T[A_d-A_d]=-3.036971072030176e-14 I2T[A_d-A_d]=0.0008766367868986305 Memory used: 84 MB Time elapsed: 5 s ***** [NRG] Iteration 17/67 (scale 0.0043455857613697484) ***** [1] xi(16)=0.004345588053744374 xi_scaled(16)=1.000000527517981 zeta(17)=0 Stats: nr=34 min=1 max=504 Emax=9.04152100553733 nrkept=978 nrkeptmult=2392 Total energy=-4.126877454505041 Egs=-1.318661690466086 Kept: 978 out of 4149, ratio=0.236 GT[A_d-A_d]=47.29324036727873 I1T[A_d-A_d]=-1.923200059323032e-15 I2T[A_d-A_d]=0.0007981765912850189 Memory used: 84 MB Time elapsed: 6 s ***** [NRG] Iteration 18/67 (scale 0.0030727931600922553) ***** [1] xi(17)=0.003072793969660842 xi_scaled(17)=1.000000263463417 zeta(18)=0 Stats: nr=38 min=1 max=398 Safeguard: keep additional 1 states Emax=9.004159740328987 nrkept=956 nrkeptmult=2352 Total energy=-4.130094057808376 Egs=-1.046801114084498 Kept: 956 out of 3682, ratio=0.26 GT[A_d-A_d]=50.47352332083897 I1T[A_d-A_d]=3.201103780241547e-14 I2T[A_d-A_d]=0.0006202653657356521 Memory used: 84 MB Time elapsed: 6 s ***** [NRG] Iteration 19/67 (scale 0.0021727928806848742) ***** [1] xi(18)=0.002172793166750066 xi_scaled(18)=1.000000131657828 zeta(19)=0 Stats: nr=34 min=1 max=438 Safeguard: keep additional 3 states Emax=9.003034695268735 nrkept=834 nrkeptmult=2038 Total energy=-4.132874776230684 Egs=-1.279789917864281 Kept: 834 out of 3602, ratio=0.232 GT[A_d-A_d]=50.78152758032539 I1T[A_d-A_d]=5.152853190930904e-14 I2T[A_d-A_d]=0.0003966229179830202 Memory used: 84 MB Time elapsed: 6 s ***** [NRG] Iteration 20/67 (scale 0.0015363965800461277) ***** [1] xi(19)=0.001536396681157071 xi_scaled(19)=1.000000065810446 zeta(20)=0 Stats: nr=36 min=1 max=344 Safeguard: keep additional 2 states Emax=9.013480945793122 nrkept=778 nrkeptmult=1926 Total energy=-4.13453585714199 Egs=-1.08115374173475 Kept: 778 out of 3138, ratio=0.248 GT[A_d-A_d]=50.66144101628527 I1T[A_d-A_d]=4.693450472427431e-14 I2T[A_d-A_d]=0.0002100233671733639 Memory used: 84 MB Time elapsed: 6 s ***** [NRG] Iteration 21/67 (scale 0.0010863964403424371) ***** [1] xi(20)=0.001086396476085538 xi_scaled(20)=1.000000032900606 zeta(21)=0 Stats: nr=34 min=1 max=360 Emax=9.011224532472184 nrkept=697 nrkeptmult=1730 Total energy=-4.135877859051005 Egs=-1.235278264159176 Kept: 697 out of 2928, ratio=0.238 GT[A_d-A_d]=52.62369393758764 I1T[A_d-A_d]=3.013132896740657e-14 I2T[A_d-A_d]=9.915760632894913e-05 Memory used: 84 MB Time elapsed: 6 s ***** [NRG] Iteration 22/67 (scale 0.00076819829002306383) ***** [1] xi(21)=0.0007681983026592718 xi_scaled(21)=1.000000016449149 zeta(22)=0 Stats: nr=36 min=1 max=285 Safeguard: keep additional 1 states Emax=9.002135535595032 nrkept=685 nrkeptmult=1731 Total energy=-4.136741336416751 Egs=-1.124029273379742 Kept: 685 out of 2626, ratio=0.261 GT[A_d-A_d]=57.62748696217989 I1T[A_d-A_d]=1.538281188330322e-14 I2T[A_d-A_d]=4.703433250668526e-05 Memory used: 84 MB Time elapsed: 6 s ***** [NRG] Iteration 23/67 (scale 0.00054319822017121855) ***** [1] xi(22)=0.000543198224638636 xi_scaled(22)=1.000000008224286 zeta(23)=0 Stats: nr=33 min=1 max=314 Safeguard: keep additional 3 states Emax=9.002770752024771 nrkept=625 nrkeptmult=1560 Total energy=-4.137383718378469 Egs=-1.182592169603571 Kept: 625 out of 2590, ratio=0.241 GT[A_d-A_d]=65.2812863022277 I1T[A_d-A_d]=7.201270512011365e-15 I2T[A_d-A_d]=2.420953701996277e-05 Memory used: 84 MB Time elapsed: 6 s ***** [NRG] Iteration 24/67 (scale 0.00038409914501153191) ***** [1] xi(23)=0.0003840991465909748 xi_scaled(23)=1.000000004112071 zeta(24)=0 Stats: nr=36 min=1 max=262 Emax=9.008279394835636 nrkept=613 nrkeptmult=1537 Total energy=-4.1378361246689 Egs=-1.177837275368345 Kept: 613 out of 2356, ratio=0.26 GT[A_d-A_d]=75.52739073173609 I1T[A_d-A_d]=2.971267991567125e-15 I2T[A_d-A_d]=1.328231269676423e-05 Memory used: 84 MB Time elapsed: 6 s ***** [NRG] Iteration 25/67 (scale 0.00027159911008560927) ***** [1] xi(24)=0.0002715991106440217 xi_scaled(24)=1.000000002056017 zeta(25)=0 Stats: nr=33 min=1 max=288 Safeguard: keep additional 2 states Emax=9.023276737541169 nrkept=603 nrkeptmult=1520 Total energy=-4.138140531882219 Egs=-1.120796063075974 Kept: 603 out of 2321, ratio=0.26 GT[A_d-A_d]=88.19636929897119 I1T[A_d-A_d]=9.338915437837985e-16 I2T[A_d-A_d]=7.580255925682072e-06 Memory used: 84 MB Time elapsed: 7 s ***** [NRG] Iteration 26/67 (scale 0.00019204957250576596) ***** [1] xi(25)=0.0001920495727031937 xi_scaled(25)=1.000000001028004 zeta(26)=0 Stats: nr=36 min=1 max=254 Safeguard: keep additional 3 states Emax=9.000577712875437 nrkept=585 nrkeptmult=1433 Total energy=-4.138379380851623 Egs=-1.243683942053663 Kept: 585 out of 2278, ratio=0.257 GT[A_d-A_d]=103.6974963944609 I1T[A_d-A_d]=-1.839907696494601e-16 I2T[A_d-A_d]=4.405711016738244e-06 Memory used: 84 MB Time elapsed: 7 s ***** [NRG] Iteration 27/67 (scale 0.00013579955504280464) ***** [1] xi(26)=0.0001357995551126057 xi_scaled(26)=1.000000000514001 zeta(27)=0 Stats: nr=33 min=1 max=282 Safeguard: keep additional 1 states Emax=9.002839062890835 nrkept=580 nrkeptmult=1436 Total energy=-4.138522193029835 Egs=-1.051639515072162 Kept: 580 out of 2209, ratio=0.263 GT[A_d-A_d]=122.0873739038038 I1T[A_d-A_d]=-6.808619442526129e-16 I2T[A_d-A_d]=2.590701799145603e-06 Memory used: 84 MB Time elapsed: 7 s ***** [NRG] Iteration 28/67 (scale 9.6024786252882978e-05) ***** [1] xi(27)=9.602478627756137e-05 xi_scaled(27)=1.000000000257 zeta(28)=0 Stats: nr=36 min=1 max=245 Safeguard: keep additional 2 states Emax=9.000983605894113 nrkept=550 nrkeptmult=1326 Total energy=-4.138648932528642 Egs=-1.319862337138872 Kept: 550 out of 2186, ratio=0.252 GT[A_d-A_d]=143.4931982647958 I1T[A_d-A_d]=-9.119246839739341e-16 I2T[A_d-A_d]=1.536946896420766e-06 Memory used: 84 MB Time elapsed: 7 s ***** [NRG] Iteration 29/67 (scale 6.7899777521402319e-05) ***** [1] xi(28)=6.789977753012744e-05 xi_scaled(28)=1.0000000001285 zeta(29)=0 Stats: nr=33 min=1 max=269 Safeguard: keep additional 3 states Emax=9.009390230701442 nrkept=555 nrkeptmult=1368 Total energy=-4.138715542172064 Egs=-0.9809994355474305 Kept: 555 out of 2069, ratio=0.268 GT[A_d-A_d]=167.7618783783917 I1T[A_d-A_d]=-9.507018787690156e-16 I2T[A_d-A_d]=9.11541744262151e-07 Memory used: 84 MB Time elapsed: 7 s ***** [NRG] Iteration 30/67 (scale 4.8012393126441489e-05) ***** [1] xi(29)=4.801239312952628e-05 xi_scaled(29)=1.00000000006425 zeta(30)=0 Stats: nr=36 min=1 max=233 Safeguard: keep additional 1 states Emax=9.011646403087404 nrkept=510 nrkeptmult=1234 Total energy=-4.138782738364029 Egs=-1.399559313542087 Kept: 510 out of 2092, ratio=0.244 GT[A_d-A_d]=193.7737536974627 I1T[A_d-A_d]=-8.555344448923243e-16 I2T[A_d-A_d]=5.428811575212807e-07 Memory used: 84 MB Time elapsed: 7 s ***** [NRG] Iteration 31/67 (scale 3.3949888760701159e-05) ***** [1] xi(30)=3.39498887617918e-05 xi_scaled(30)=1.000000000032125 zeta(31)=0 Stats: nr=33 min=1 max=249 Safeguard: keep additional 1 states Emax=9.005392848787732 nrkept=535 nrkeptmult=1304 Total energy=-4.13881391008441 Egs=-0.9181685572003633 Kept: 535 out of 1917, ratio=0.279 GT[A_d-A_d]=220.8468176360023 I1T[A_d-A_d]=-6.628598868501682e-16 I2T[A_d-A_d]=3.189364447459057e-07 Memory used: 84 MB Time elapsed: 7 s ***** [NRG] Iteration 32/67 (scale 2.4006196563220745e-05) ***** [1] xi(31)=2.400619656360634e-05 xi_scaled(31)=1.000000000016062 zeta(32)=0 Stats: nr=36 min=1 max=226 Safeguard: keep additional 1 states Emax=9.010611832750197 nrkept=472 nrkeptmult=1130 Total energy=-4.138849231153569 Egs=-1.471331331707859 Kept: 472 out of 2014, ratio=0.234 GT[A_d-A_d]=245.9631693266144 I1T[A_d-A_d]=-4.514019629210642e-16 I2T[A_d-A_d]=1.865952881491567e-07 Memory used: 84 MB Time elapsed: 7 s ***** [NRG] Iteration 33/67 (scale 1.697494438035058e-05) ***** [1] xi(32)=1.697494438048691e-05 xi_scaled(32)=1.000000000008031 zeta(33)=0 Stats: nr=31 min=1 max=231 Emax=9.006539358989047 nrkept=494 nrkeptmult=1184 Total energy=-4.138864012053816 Egs=-0.8707480812131113 Kept: 494 out of 1770, ratio=0.279 GT[A_d-A_d]=268.8772711971453 I1T[A_d-A_d]=-2.663173031597844e-16 I2T[A_d-A_d]=1.059484890556829e-07 Memory used: 84 MB Time elapsed: 7 s ***** [NRG] Iteration 34/67 (scale 1.2003098281610372e-05) ***** [1] xi(33)=1.200309828165857e-05 xi_scaled(33)=1.000000000004016 zeta(34)=0 Stats: nr=34 min=1 max=212 Safeguard: keep additional 2 states Emax=9.002563585535622 nrkept=430 nrkeptmult=1008 Total energy=-4.13888232337359 Egs=-1.525549432632385 Kept: 430 out of 1856, ratio=0.232 GT[A_d-A_d]=285.8778757503864 I1T[A_d-A_d]=-1.229315857009111e-16 I2T[A_d-A_d]=5.936808260868173e-08 Memory used: 84 MB Time elapsed: 7 s ***** [NRG] Iteration 35/67 (scale 8.4874721901752898e-06) ***** [1] xi(34)=8.48747219019233e-06 xi_scaled(34)=1.000000000002008 zeta(35)=0 Stats: nr=31 min=1 max=214 Safeguard: keep additional 2 states Emax=9.01048282436823 nrkept=449 nrkeptmult=1064 Total energy=-4.138889452458792 Egs=-0.8399538805354111 Kept: 449 out of 1609, ratio=0.279 GT[A_d-A_d]=299.5237956017653 I1T[A_d-A_d]=-5.123476643070158e-17 I2T[A_d-A_d]=3.197801340134701e-08 Memory used: 84 MB Time elapsed: 7 s ***** [NRG] Iteration 36/67 (scale 6.0015491408051861e-06) ***** [1] xi(35)=6.001549140811211e-06 xi_scaled(35)=1.000000000001004 zeta(36)=0 Stats: nr=32 min=1 max=196 Safeguard: keep additional 2 states Emax=9.005576491935914 nrkept=397 nrkeptmult=927 Total energy=-4.138898818018274 Egs=-1.560523668523827 Kept: 397 out of 1684, ratio=0.236 GT[A_d-A_d]=306.7794276693899 I1T[A_d-A_d]=-1.871014385912474e-17 I2T[A_d-A_d]=1.703581545828393e-08 Memory used: 84 MB Time elapsed: 7 s ***** [NRG] Iteration 37/67 (scale 4.2437360950876449e-06) ***** [1] xi(36)=4.243736095089775e-06 xi_scaled(36)=1.000000000000502 zeta(37)=0 Stats: nr=31 min=1 max=201 Emax=9.013169617009236 nrkept=389 nrkeptmult=898 Total energy=-4.138902306526108 Egs=-0.8220369401526517 Kept: 389 out of 1487, ratio=0.262 GT[A_d-A_d]=312.9072963706613 I1T[A_d-A_d]=-1.452245929001378e-17 I2T[A_d-A_d]=8.750378679844827e-09 Memory used: 84 MB Time elapsed: 7 s ***** [NRG] Iteration 38/67 (scale 3.0007745704025931e-06) ***** [1] xi(37)=3.000774570403346e-06 xi_scaled(37)=1.000000000000251 zeta(38)=0 Stats: nr=28 min=1 max=170 Safeguard: keep additional 3 states Emax=9.00212798250257 nrkept=359 nrkeptmult=837 Total energy=-4.138907049834792 Egs=-1.580694774826702 Kept: 359 out of 1452, ratio=0.247 GT[A_d-A_d]=314.4186886430443 I1T[A_d-A_d]=-1.077202239269836e-17 I2T[A_d-A_d]=4.50531963381004e-09 Memory used: 84 MB Time elapsed: 7 s ***** [NRG] Iteration 39/67 (scale 2.1218680475438225e-06) ***** [1] xi(38)=2.121868047544089e-06 xi_scaled(38)=1.000000000000125 zeta(39)=0 Stats: nr=31 min=1 max=181 Emax=9.151678554627791 nrkept=375 nrkeptmult=844 Total energy=-4.13890877343833 Egs=-0.8123047709555508 Kept: 375 out of 1342, ratio=0.279 GT[A_d-A_d]=317.2735877303602 I1T[A_d-A_d]=-1.03791661956561e-17 I2T[A_d-A_d]=2.259356761661319e-09 Memory used: 84 MB Time elapsed: 7 s ***** [NRG] Iteration 40/67 (scale 1.5003872852012965e-06) ***** [1] xi(39)=1.500387285201391e-06 xi_scaled(39)=1.000000000000063 zeta(40)=0 Stats: nr=28 min=1 max=167 Safeguard: keep additional 1 states Emax=9.026255380292287 nrkept=333 nrkeptmult=759 Total energy=-4.138911161412909 Egs=-1.591572124193645 Kept: 333 out of 1396, ratio=0.239 GT[A_d-A_d]=316.5995871079596 I1T[A_d-A_d]=-6.677762910691588e-18 I2T[A_d-A_d]=1.145965866273185e-09 Memory used: 84 MB Time elapsed: 7 s ***** [NRG] Iteration 41/67 (scale 1.0609340237719112e-06) ***** [1] xi(40)=1.060934023771944e-06 xi_scaled(40)=1.000000000000031 zeta(41)=0 Stats: nr=31 min=1 max=170 Emax=9.34037099602088 nrkept=375 nrkeptmult=844 Total energy=-4.13891201782184 Egs=-0.8072216673233934 Kept: 375 out of 1239, ratio=0.303 GT[A_d-A_d]=318.5022311568004 I1T[A_d-A_d]=-4.148191657945226e-18 I2T[A_d-A_d]=5.702266426385216e-10 Memory used: 84 MB Time elapsed: 7 s ***** [NRG] Iteration 42/67 (scale 7.5019364260064827e-07) ***** [1] xi(41)=7.5019364260066e-07 xi_scaled(41)=1.000000000000016 zeta(42)=0 Stats: nr=28 min=1 max=167 Safeguard: keep additional 1 states Emax=9.096337816512348 nrkept=329 nrkeptmult=739 Total energy=-4.138913216050823 Egs=-1.597226255686452 Kept: 329 out of 1396, ratio=0.236 GT[A_d-A_d]=317.1667265168791 I1T[A_d-A_d]=-8.895719510257586e-19 I2T[A_d-A_d]=2.878995740280544e-10 Memory used: 84 MB Time elapsed: 7 s ***** [NRG] Iteration 43/67 (scale 5.3046701188595561e-07) ***** [1] xi(42)=5.304670118859597e-07 xi_scaled(42)=1.000000000000008 zeta(43)=0 Stats: nr=29 min=2 max=170 Emax=9.441593326642966 nrkept=375 nrkeptmult=844 Total energy=-4.138913642876452 Egs=-0.8046223796119367 Kept: 375 out of 1223, ratio=0.307 GT[A_d-A_d]=318.8324178278095 I1T[A_d-A_d]=-1.330230502077151e-20 I2T[A_d-A_d]=1.429173109556016e-10 Memory used: 84 MB Time elapsed: 7 s ***** [NRG] Iteration 44/67 (scale 3.7509682130032413e-07) ***** [1] xi(43)=3.750968213003256e-07 xi_scaled(43)=1.000000000000004 zeta(44)=0 Stats: nr=28 min=1 max=167 Emax=9.187744180927732 nrkept=328 nrkeptmult=738 Total energy=-4.138914243072453 Egs=-1.600109537505645 Kept: 328 out of 1396, ratio=0.235 GT[A_d-A_d]=317.3082319952009 I1T[A_d-A_d]=3.936579418509767e-19 I2T[A_d-A_d]=7.207789176632725e-11 Memory used: 84 MB Time elapsed: 7 s ***** [NRG] Iteration 45/67 (scale 2.6523350594297781e-07) ***** [1] xi(44)=2.652335059429783e-07 xi_scaled(44)=1.000000000000002 zeta(45)=0 Stats: nr=29 min=2 max=169 Emax=9.493854395247087 nrkept=375 nrkeptmult=844 Total energy=-4.138914456136604 Egs=-0.8033078225889486 Kept: 375 out of 1219, ratio=0.308 GT[A_d-A_d]=318.9231673490522 I1T[A_d-A_d]=2.131024053089738e-19 I2T[A_d-A_d]=3.575263480149003e-11 Memory used: 84 MB Time elapsed: 7 s ***** [NRG] Iteration 46/67 (scale 1.8754841065016207e-07) ***** [1] xi(45)=1.875484106501623e-07 xi_scaled(45)=1.000000000000001 zeta(46)=0 Stats: nr=28 min=1 max=167 Emax=9.201354963868649 nrkept=328 nrkeptmult=738 Total energy=-4.138914756507675 Egs=-1.601565536431826 Kept: 328 out of 1396, ratio=0.235 GT[A_d-A_d]=317.3416168181593 I1T[A_d-A_d]=2.115148389183314e-19 I2T[A_d-A_d]=1.802889781812713e-11 Memory used: 84 MB Time elapsed: 7 s ***** [NRG] Iteration 47/67 (scale 1.326167529714889e-07) ***** [1] xi(46)=1.32616752971489e-07 xi_scaled(46)=1 zeta(47)=0 Stats: nr=29 min=2 max=169 Emax=9.520176267900291 nrkept=375 nrkeptmult=844 Total energy=-4.138914862952081 Egs=-0.8026467531236917 Kept: 375 out of 1219, ratio=0.308 GT[A_d-A_d]=318.949657049965 I1T[A_d-A_d]=1.777568743370063e-19 I2T[A_d-A_d]=8.93967945841013e-12 Memory used: 84 MB Time elapsed: 7 s ***** [NRG] Iteration 48/67 (scale 9.3774205325081033e-08) ***** [1] xi(47)=9.377420532508106e-08 xi_scaled(47)=1 zeta(48)=0 Stats: nr=28 min=1 max=167 Emax=9.208193915451965 nrkept=328 nrkeptmult=738 Total energy=-4.138915013206224 Egs=-1.602297163979721 Kept: 328 out of 1396, ratio=0.235 GT[A_d-A_d]=317.3486197572724 I1T[A_d-A_d]=3.704223867455738e-19 I2T[A_d-A_d]=4.508076305234319e-12 Memory used: 84 MB Time elapsed: 7 s ***** [NRG] Iteration 49/67 (scale 6.6308376485744452e-08) ***** [1] xi(48)=6.630837648574447e-08 xi_scaled(48)=1 zeta(49)=0 Stats: nr=29 min=2 max=169 Emax=9.532482577819268 nrkept=375 nrkeptmult=844 Total energy=-4.138915066406447 Egs=-0.8023152626727906 Kept: 375 out of 1219, ratio=0.308 GT[A_d-A_d]=318.9578428729377 I1T[A_d-A_d]=2.72370775077799e-19 I2T[A_d-A_d]=2.235003831620234e-12 Memory used: 84 MB Time elapsed: 7 s ***** [NRG] Iteration 50/67 (scale 4.6887102662540517e-08) ***** [1] xi(49)=4.688710266254052e-08 xi_scaled(49)=1 zeta(50)=0 Stats: nr=28 min=1 max=167 Emax=9.211622196566205 nrkept=328 nrkeptmult=738 Total energy=-4.138915141550713 Egs=-1.602663889698527 Kept: 328 out of 1396, ratio=0.235 GT[A_d-A_d]=317.3493653288694 I1T[A_d-A_d]=1.868680361397306e-19 I2T[A_d-A_d]=1.127104615277417e-12 Memory used: 84 MB Time elapsed: 8 s ***** [NRG] Iteration 51/67 (scale 3.3154188242872226e-08) ***** [1] xi(50)=3.315418824287223e-08 xi_scaled(50)=1 zeta(51)=0 Stats: nr=29 min=2 max=169 Safeguard: keep additional 1 states Emax=9.537224964816019 nrkept=376 nrkeptmult=850 Total energy=-4.138915168145322 Egs=-0.8021492775232665 Kept: 376 out of 1219, ratio=0.308 GT[A_d-A_d]=318.9616395058961 I1T[A_d-A_d]=5.093994054542632e-20 I2T[A_d-A_d]=5.58762715192419e-13 Memory used: 84 MB Time elapsed: 8 s ***** [NRG] Iteration 52/67 (scale 2.3443551331270258e-08) ***** [1] xi(51)=2.344355133127026e-08 xi_scaled(51)=1 zeta(52)=0 Stats: nr=28 min=1 max=167 Emax=9.213339325798222 nrkept=328 nrkeptmult=738 Total energy=-4.138915205721759 Egs=-1.602847481151922 Kept: 328 out of 1400, ratio=0.234 GT[A_d-A_d]=317.348760606221 I1T[A_d-A_d]=3.339730090955485e-20 I2T[A_d-A_d]=2.817851495331444e-13 Memory used: 84 MB Time elapsed: 8 s ***** [NRG] Iteration 53/67 (scale 1.6577094121436113e-08) ***** [1] xi(52)=1.657709412143611e-08 xi_scaled(52)=1 zeta(53)=0 Stats: nr=29 min=2 max=169 Safeguard: keep additional 1 states Emax=9.539324246289842 nrkept=376 nrkeptmult=850 Total energy=-4.138915219017686 Egs=-0.802066224857051 Kept: 376 out of 1219, ratio=0.308 GT[A_d-A_d]=318.9622445007496 I1T[A_d-A_d]=3.630186808235238e-20 I2T[A_d-A_d]=1.396912269698171e-13 Memory used: 84 MB Time elapsed: 8 s ***** [NRG] Iteration 54/67 (scale 1.1721775665635129e-08) ***** [1] xi(53)=1.172177566563513e-08 xi_scaled(53)=1 zeta(54)=0 Stats: nr=28 min=1 max=167 Emax=9.214197959486608 nrkept=328 nrkeptmult=738 Total energy=-4.138915237806981 Egs=-1.602939334096915 Kept: 328 out of 1400, ratio=0.234 GT[A_d-A_d]=317.3479584670516 I1T[A_d-A_d]=5.188938232992381e-20 I2T[A_d-A_d]=7.044726516189179e-14 Memory used: 84 MB Time elapsed: 8 s ***** [NRG] Iteration 55/67 (scale 8.2885470607180565e-09) ***** [1] xi(54)=8.288547060718056e-09 xi_scaled(54)=1 zeta(55)=0 Stats: nr=29 min=2 max=169 Safeguard: keep additional 2 states Emax=9.54037533578003 nrkept=377 nrkeptmult=854 Total energy=-4.1389152444546 Egs=-0.802024683495568 Kept: 377 out of 1219, ratio=0.309 GT[A_d-A_d]=318.9630560796992 I1T[A_d-A_d]=4.498372314716168e-20 I2T[A_d-A_d]=3.492315391334098e-14 Memory used: 84 MB Time elapsed: 8 s ***** [NRG] Iteration 56/67 (scale 5.8608878328175646e-09) ***** [1] xi(55)=5.860887832817565e-09 xi_scaled(55)=1 zeta(56)=0 Stats: nr=28 min=1 max=167 Emax=9.214627054576997 nrkept=328 nrkeptmult=738 Total energy=-4.138915253849517 Egs=-1.602985274878385 Kept: 328 out of 1404, ratio=0.234 GT[A_d-A_d]=317.347180544321 I1T[A_d-A_d]=3.16597498717504e-20 I2T[A_d-A_d]=1.761191808325385e-14 Memory used: 84 MB Time elapsed: 8 s ***** [NRG] Iteration 57/67 (scale 4.1442735303590282e-09) ***** [1] xi(56)=4.144273530359028e-09 xi_scaled(56)=1 zeta(57)=0 Stats: nr=29 min=2 max=169 Emax=9.540872574174255 nrkept=375 nrkeptmult=844 Total energy=-4.138915257173241 Egs=-0.802003909060838 Kept: 375 out of 1219, ratio=0.308 GT[A_d-A_d]=318.9604093712074 I1T[A_d-A_d]=1.911197574129503e-20 I2T[A_d-A_d]=8.730568381453455e-15 Memory used: 84 MB Time elapsed: 8 s ***** [NRG] Iteration 58/67 (scale 2.9304439164087823e-09) ***** [1] xi(57)=2.930443916408782e-09 xi_scaled(57)=1 zeta(58)=0 Stats: nr=28 min=1 max=167 Emax=9.214841830978095 nrkept=328 nrkeptmult=738 Total energy=-4.138915261870767 Egs=-1.603008248845327 Kept: 328 out of 1396, ratio=0.235 GT[A_d-A_d]=317.3463951855277 I1T[A_d-A_d]=1.308796022895658e-20 I2T[A_d-A_d]=4.402985222329244e-15 Memory used: 84 MB Time elapsed: 8 s ***** [NRG] Iteration 59/67 (scale 2.0721367651795141e-09) ***** [1] xi(58)=2.072136765179514e-09 xi_scaled(58)=1 zeta(59)=0 Stats: nr=29 min=2 max=169 Emax=9.54112079651809 nrkept=375 nrkeptmult=844 Total energy=-4.138915263532607 Egs=-0.8019935209074253 Kept: 375 out of 1219, ratio=0.308 GT[A_d-A_d]=318.9598177964947 I1T[A_d-A_d]=1.080064912329547e-20 I2T[A_d-A_d]=2.182638241106197e-15 Memory used: 84 MB Time elapsed: 8 s ***** [NRG] Iteration 60/67 (scale 1.4652219582043911e-09) ***** [1] xi(59)=1.465221958204391e-09 xi_scaled(59)=1 zeta(60)=0 Stats: nr=28 min=1 max=167 Emax=9.214949226823734 nrkept=328 nrkeptmult=738 Total energy=-4.138915265881387 Egs=-1.603019736721698 Kept: 328 out of 1396, ratio=0.235 GT[A_d-A_d]=317.3456465938144 I1T[A_d-A_d]=1.072372698088301e-20 I2T[A_d-A_d]=1.100745878401201e-15 Memory used: 84 MB Time elapsed: 8 s ***** [NRG] Iteration 61/67 (scale 1.0360683825897571e-09) ***** [1] xi(60)=1.036068382589757e-09 xi_scaled(60)=1 zeta(61)=0 Stats: nr=29 min=2 max=169 Emax=9.541244292997376 nrkept=375 nrkeptmult=844 Total energy=-4.138915266712302 Egs=-0.8019883265979711 Kept: 375 out of 1219, ratio=0.308 GT[A_d-A_d]=318.9591581591779 I1T[A_d-A_d]=1.016666688256186e-20 I2T[A_d-A_d]=5.456584546586568e-16 Memory used: 84 MB Time elapsed: 8 s ***** [NRG] Iteration 62/67 (scale 7.3261097910219557e-10) ***** [1] xi(61)=7.326109791021956e-10 xi_scaled(61)=1 zeta(62)=0 Stats: nr=28 min=1 max=167 Emax=9.215002926614272 nrkept=328 nrkeptmult=738 Total energy=-4.138915267886696 Egs=-1.603025480882544 Kept: 328 out of 1396, ratio=0.235 GT[A_d-A_d]=317.3449108306404 I1T[A_d-A_d]=8.534324898400408e-21 I2T[A_d-A_d]=2.751861021168006e-16 Memory used: 84 MB Time elapsed: 8 s ***** [NRG] Iteration 63/67 (scale 5.1803419129487853e-10) ***** [1] xi(62)=5.180341912948785e-10 xi_scaled(62)=1 zeta(63)=0 Stats: nr=29 min=2 max=169 Emax=9.541305969730656 nrkept=375 nrkeptmult=844 Total energy=-4.138915268302152 Egs=-0.8019857293857131 Kept: 375 out of 1219, ratio=0.308 GT[A_d-A_d]=318.9584653252898 I1T[A_d-A_d]=6.177506993323011e-21 I2T[A_d-A_d]=1.364143200663952e-16 Memory used: 84 MB Time elapsed: 8 s ***** [NRG] Iteration 64/67 (scale 3.6630548955109779e-10) ***** [1] xi(63)=3.663054895510978e-10 xi_scaled(63)=1 zeta(64)=0 Stats: nr=28 min=1 max=167 Safeguard: keep additional 3 states Emax=9.215036197136422 nrkept=331 nrkeptmult=741 Total energy=-4.13891526888935 Egs=-1.603028353018345 Kept: 331 out of 1396, ratio=0.237 GT[A_d-A_d]=317.3458314099404 I1T[A_d-A_d]=4.028864760589783e-21 I2T[A_d-A_d]=6.879714588024531e-17 Memory used: 84 MB Time elapsed: 8 s ***** [NRG] Iteration 65/67 (scale 2.5901709564743927e-10) ***** [1] xi(64)=2.590170956474393e-10 xi_scaled(64)=1 zeta(65)=0 Stats: nr=29 min=2 max=170 Safeguard: keep additional 9 states Emax=9.541359238872211 nrkept=384 nrkeptmult=860 Total energy=-4.138915269097078 Egs=-0.8019844307655244 Kept: 384 out of 1228, ratio=0.313 GT[A_d-A_d]=318.9612210107643 I1T[A_d-A_d]=2.335528808543114e-21 I2T[A_d-A_d]=3.410483467036692e-17 Memory used: 84 MB Time elapsed: 8 s ***** [NRG] Iteration 66/67 (scale 1.8315274477554889e-10) ***** [1] xi(65)=1.831527447755489e-10 xi_scaled(65)=1 zeta(66)=0 Stats: nr=28 min=1 max=171 Safeguard: keep additional 3 states Emax=9.215045922659259 nrkept=331 nrkeptmult=741 Total energy=-4.138915269390677 Egs=-1.603029789100807 Kept: 331 out of 1428, ratio=0.232 GT[A_d-A_d]=317.3451486323701 I1T[A_d-A_d]=1.288328856315743e-21 I2T[A_d-A_d]=1.719926377835948e-17 Memory used: 84 MB Time elapsed: 8 s ***** [NRG] Iteration 67/67 (scale 1.2950854782371963e-10) ***** [1] xi(66)=1.295085478237196e-10 xi_scaled(66)=1 zeta(67)=0 Stats: nr=29 min=2 max=170 Safeguard: keep additional 9 states Emax=9.541363095147407 nrkept=384 nrkeptmult=860 Total energy=-4.13891526949454 Egs=-0.8019837814519709 Kept: 384 out of 1228, ratio=0.313 GT[A_d-A_d]=318.9605035572551 I1T[A_d-A_d]=6.041001391567413e-22 I2T[A_d-A_d]=8.526189652372314e-18 Memory used: 84 MB Time elapsed: 8 s ** Iteration completed. Spectrum: A_d-A_d GT Spectrum: A_d-A_d I1T Spectrum: A_d-A_d I2T Total energy: -4.13891526949454 TKW=2.158224009454041e-05 Memory usage report =================== after diag: 94448 kB after recalc: 96164 kB after split: 96164 kB after trim: 94448 kB after trunc: 94448 kB diag_h: 94448 kB Peak usage: 96164 kB Timing report ============= All: 8 s diag: 7 s recalc d: 0 s recalc f: 0 s spec gt: 0 s spec i1t: 0 s spec i2t: 0 s Other: 0 s