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.zH9kArnhYr substeps=0 Ninit=0 Lambda=2 strategy=kept lastall=0 lastalloverride=0 z=0.75 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 0.04370789240268005 (-1 2) 2 states 0.02074724124781172 0.0625470657632186 (0 1) 3 states 0 0.04370789240268005 0.08329430701103033 (0 3) 1 states 0.03958641460835025 (1 2) 2 states 0.02074724124781172 0.0625470657632186 (2 1) 1 states 0.04370789240268005 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]=0.2943237607900392 I1T[A_d-A_d]=-5.421010862427522e-20 I2T[A_d-A_d]=0.0001947255504538246 ***** [NRG] Iteration 1/66 (scale 0.85783160370214839) ***** [1] xi(0)=0.5874247114443377 xi_scaled(0)=0.684778584642004 zeta(1)=0 Stats: nr=10 min=1 max=8 Emax=2.747447269700388 nrkept=35 nrkeptmult=64 Total energy=-1.175923548727086 Egs=-1.31482566552846 Kept: 35 out of 35, ratio=1 GT[A_d-A_d]=0.4161669780019754 I1T[A_d-A_d]=-6.84267096109914e-17 I2T[A_d-A_d]=0.0002208320155247738 Memory used: 46 MB Time elapsed: 0 s ***** [NRG] Iteration 2/66 (scale 0.6065785440939202) ***** [1] xi(1)=0.505738132912278 xi_scaled(1)=0.8337553938175095 zeta(2)=0 Stats: nr=15 min=1 max=20 Emax=5.221934212873251 nrkept=126 nrkeptmult=256 Total energy=-1.581256626099444 Egs=-0.6682285110790168 Kept: 126 out of 126, ratio=1 GT[A_d-A_d]=0.5883541185846191 I1T[A_d-A_d]=-2.025704704347077e-16 I2T[A_d-A_d]=0.0002769363738842844 Memory used: 46 MB Time elapsed: 0 s ***** [NRG] Iteration 3/66 (scale 0.4289158018510742) ***** [1] xi(2)=0.4062030653849694 xi_scaled(2)=0.9470461653124381 zeta(3)=0 Stats: nr=21 min=1 max=75 Emax=9.055171787364591 nrkept=439 nrkeptmult=984 Total energy=-2.231411651723068 Egs=-1.515810382405467 Kept: 439 out of 462, ratio=0.95 GT[A_d-A_d]=0.8316292407897911 I1T[A_d-A_d]=-7.035947468399218e-16 I2T[A_d-A_d]=0.0003114019606217452 Memory used: 63 MB Time elapsed: 0 s ***** [NRG] Iteration 4/66 (scale 0.3032892720469601) ***** [1] xi(3)=0.294970735383244 xi_scaled(3)=0.9725722686873405 zeta(4)=0 Stats: nr=28 min=1 max=197 Safeguard: keep additional 5 states Emax=9.423862977371023 nrkept=1008 nrkeptmult=2416 Total energy=-2.482058480129374 Egs=-0.8264282699966282 Kept: 1008 out of 1634, ratio=0.617 GT[A_d-A_d]=1.175158484871127 I1T[A_d-A_d]=-1.199549325915027e-15 I2T[A_d-A_d]=0.0003392538341602581 Memory used: 66 MB Time elapsed: 0 s ***** [NRG] Iteration 5/66 (scale 0.2144579009255371) ***** [1] xi(4)=0.2101971291227322 xi_scaled(4)=0.9801323626482555 zeta(5)=0 Stats: nr=36 min=1 max=454 Emax=9.114309074071377 nrkept=1180 nrkeptmult=2866 Total energy=-2.803438082624453 Egs=-1.49856732304149 Kept: 1180 out of 3781, ratio=0.312 GT[A_d-A_d]=1.659959233923496 I1T[A_d-A_d]=-1.099917677681726e-15 I2T[A_d-A_d]=0.0003552863733170971 Memory used: 76 MB Time elapsed: 0 s ***** [NRG] Iteration 6/66 (scale 0.15164463602348005) ***** [1] xi(5)=0.1498498162635206 xi_scaled(5)=0.9881643043432047 zeta(6)=0 Stats: nr=38 min=2 max=474 Safeguard: keep additional 2 states Emax=9.411067157091406 nrkept=1395 nrkeptmult=3369 Total energy=-2.935913396152158 Egs=-0.8735905008021031 Kept: 1395 out of 4436, ratio=0.314 GT[A_d-A_d]=2.343380700914397 I1T[A_d-A_d]=-2.055844555286496e-15 I2T[A_d-A_d]=0.0003744842481559327 Memory used: 81 MB Time elapsed: 0 s ***** [NRG] Iteration 7/66 (scale 0.10722895046276855) ***** [1] xi(6)=0.1065568804510635 xi_scaled(6)=0.9937323828238119 zeta(7)=0 Stats: nr=36 min=1 max=625 Safeguard: keep additional 1 states Emax=9.113605835738875 nrkept=1217 nrkeptmult=2950 Total energy=-3.094655336104456 Egs=-1.480401880902639 Kept: 1217 out of 5241, ratio=0.232 GT[A_d-A_d]=3.305288918340294 I1T[A_d-A_d]=-2.810858665491339e-15 I2T[A_d-A_d]=0.0003949303118580277 Memory used: 89 MB Time elapsed: 1 s ***** [NRG] Iteration 8/66 (scale 0.075822318011740025) ***** [1] xi(7)=0.07557981327750919 xi_scaled(7)=0.9968016707931129 zeta(8)=0 Stats: nr=38 min=2 max=491 Safeguard: keep additional 5 states Emax=9.561970871522652 nrkept=1398 nrkeptmult=3376 Total energy=-3.163636616952993 Egs=-0.9097754151733473 Kept: 1398 out of 4574, ratio=0.306 GT[A_d-A_d]=4.655442768917566 I1T[A_d-A_d]=-3.86455610774306e-15 I2T[A_d-A_d]=0.0004267439082179155 Memory used: 89 MB Time elapsed: 1 s ***** [NRG] Iteration 9/66 (scale 0.053614475231384275) ***** [1] xi(8)=0.05352798513607368 xi_scaled(8)=0.9983868144761778 zeta(9)=0 Stats: nr=36 min=1 max=626 Emax=9.2543971463289 nrkept=1216 nrkeptmult=2944 Total energy=-3.241404465666913 Egs=-1.450500977176361 Kept: 1216 out of 5253, ratio=0.231 GT[A_d-A_d]=6.542484190188873 I1T[A_d-A_d]=-5.209661319010997e-15 I2T[A_d-A_d]=0.0004660019361860224 Memory used: 91 MB Time elapsed: 2 s ***** [NRG] Iteration 10/66 (scale 0.037911159005870013) ***** [1] xi(9)=0.03788045410197667 xi_scaled(9)=0.99919008269073 zeta(10)=0 Stats: nr=38 min=2 max=491 Safeguard: keep additional 5 states Emax=9.578876064781795 nrkept=1398 nrkeptmult=3376 Total energy=-3.277086649440728 Egs=-0.9412052996926291 Kept: 1398 out of 4570, ratio=0.306 GT[A_d-A_d]=9.159846213213509 I1T[A_d-A_d]=-6.63021012699943e-15 I2T[A_d-A_d]=0.0005217176302860748 Memory used: 91 MB Time elapsed: 2 s ***** [NRG] Iteration 11/66 (scale 0.026807237615692137) ***** [1] xi(10)=0.026796360004706 xi_scaled(10)=0.999594228575802 zeta(11)=0 Stats: nr=36 min=1 max=626 Emax=9.287138343312956 nrkept=1216 nrkeptmult=2944 Total energy=-3.315016854580506 Egs=-1.414924047137746 Kept: 1216 out of 5253, ratio=0.231 GT[A_d-A_d]=12.74493584594502 I1T[A_d-A_d]=-8.586933933886162e-15 I2T[A_d-A_d]=0.0005894886079276824 Memory used: 91 MB Time elapsed: 3 s ***** [NRG] Iteration 12/66 (scale 0.018955579502935006) ***** [1] xi(11)=0.01895172987497082 xi_scaled(11)=0.9997969132010135 zeta(12)=0 Stats: nr=38 min=2 max=491 Safeguard: keep additional 1 states Emax=9.012982611896151 nrkept=1352 nrkeptmult=3268 Total energy=-3.333430221776533 Egs=-0.9713956354210277 Kept: 1352 out of 4570, ratio=0.296 GT[A_d-A_d]=17.54499546229241 I1T[A_d-A_d]=-1.111768170216137e-14 I2T[A_d-A_d]=0.000674646895921618 Memory used: 91 MB Time elapsed: 3 s ***** [NRG] Iteration 13/66 (scale 0.013403618807846069) ***** [1] xi(12)=0.01340225708839997 xi_scaled(12)=0.999898406582161 zeta(13)=0 Stats: nr=36 min=1 max=602 Safeguard: keep additional 1 states Emax=9.000528999849713 nrkept=1172 nrkeptmult=2848 Total energy=-3.351900417914291 Egs=-1.378000702835963 Kept: 1172 out of 5077, ratio=0.231 GT[A_d-A_d]=23.72837464664397 I1T[A_d-A_d]=-1.236365426355489e-14 I2T[A_d-A_d]=0.0007643466196913749 Memory used: 91 MB Time elapsed: 3 s ***** [NRG] Iteration 14/66 (scale 0.0094777897514675032) ***** [1] xi(13)=0.009477308192719294 xi_scaled(13)=0.9999491908176024 zeta(14)=0 Stats: nr=38 min=2 max=473 Safeguard: keep additional 3 states Emax=9.000369223987571 nrkept=1126 nrkeptmult=2738 Total energy=-3.361378951801052 Egs=-1.00007851358945 Kept: 1126 out of 4406, ratio=0.256 GT[A_d-A_d]=31.15752786037387 I1T[A_d-A_d]=-1.239136018186399e-14 I2T[A_d-A_d]=0.0008453291688002514 Memory used: 91 MB Time elapsed: 4 s ***** [NRG] Iteration 15/66 (scale 0.0067018094039230343) ***** [1] xi(14)=0.00670163912632195 xi_scaled(14)=0.9999745922942863 zeta(15)=0 Stats: nr=34 min=1 max=518 Safeguard: keep additional 1 states Emax=9.018829751967552 nrkept=1027 nrkeptmult=2512 Total energy=-3.370369782426303 Egs=-1.34155271858202 Kept: 1027 out of 4238, ratio=0.242 GT[A_d-A_d]=39.09548506589174 I1T[A_d-A_d]=-9.265999824183461e-15 I2T[A_d-A_d]=0.0008791825307875445 Memory used: 91 MB Time elapsed: 4 s ***** [NRG] Iteration 16/66 (scale 0.0047388948757337516) ***** [1] xi(15)=0.00473883466982298 xi_scaled(15)=0.9999872953689942 zeta(16)=0 Stats: nr=38 min=1 max=416 Safeguard: keep additional 2 states Emax=9.002341587222503 nrkept=1099 nrkeptmult=2685 Total energy=-3.375242127057561 Egs=-1.028160522447395 Kept: 1099 out of 3870, ratio=0.284 GT[A_d-A_d]=45.96090384293027 I1T[A_d-A_d]=-2.165443117787408e-15 I2T[A_d-A_d]=0.0008285150351034504 Memory used: 91 MB Time elapsed: 4 s ***** [NRG] Iteration 17/66 (scale 0.0033509047019615172) ***** [1] xi(16)=0.003350883415305955 xi_scaled(16)=0.9999936474900196 zeta(17)=0 Stats: nr=34 min=1 max=501 Safeguard: keep additional 1 states Emax=9.001068650392913 nrkept=933 nrkeptmult=2294 Total energy=-3.3796135027427 Egs=-1.304535960864635 Kept: 933 out of 4137, ratio=0.226 GT[A_d-A_d]=50.00615872732947 I1T[A_d-A_d]=7.106392763402635e-15 I2T[A_d-A_d]=0.0006720072815062087 Memory used: 91 MB Time elapsed: 5 s ***** [NRG] Iteration 18/66 (scale 0.0023694474378668758) ***** [1] xi(17)=0.002369439911782444 xi_scaled(17)=0.9999968236963979 zeta(18)=0 Stats: nr=38 min=1 max=375 Safeguard: keep additional 3 states Emax=9.022414345191061 nrkept=908 nrkeptmult=2240 Total energy=-3.382122446542375 Egs=-1.058872950536472 Kept: 908 out of 3510, ratio=0.259 GT[A_d-A_d]=50.86573717745188 I1T[A_d-A_d]=1.310794666710934e-14 I2T[A_d-A_d]=0.000452115360650742 Memory used: 91 MB Time elapsed: 5 s ***** [NRG] Iteration 19/66 (scale 0.0016754523509807586) ***** [1] xi(18)=0.00167544969008773 xi_scaled(18)=0.9999984118360469 zeta(19)=0 Stats: nr=34 min=1 max=413 Safeguard: keep additional 3 states Emax=9.00009476694315 nrkept=781 nrkeptmult=1922 Total energy=-3.384240091841368 Egs=-1.263924514327377 Kept: 781 out of 3420, ratio=0.228 GT[A_d-A_d]=50.5599596419142 I1T[A_d-A_d]=1.31601382962203e-14 I2T[A_d-A_d]=0.0002500170469162388 Memory used: 91 MB Time elapsed: 5 s ***** [NRG] Iteration 20/66 (scale 0.0011847237189334379) ***** [1] xi(19)=0.001184722778162086 xi_scaled(19)=0.9999992059149856 zeta(20)=0 Stats: nr=36 min=1 max=321 Emax=9.074525506307511 nrkept=735 nrkeptmult=1865 Total energy=-3.38553864048722 Egs=-1.096077190909475 Kept: 735 out of 2942, ratio=0.25 GT[A_d-A_d]=51.88081082832946 I1T[A_d-A_d]=9.037920744783953e-15 I2T[A_d-A_d]=0.0001201094532819876 Memory used: 91 MB Time elapsed: 5 s ***** [NRG] Iteration 21/66 (scale 0.00083772617549037929) ***** [1] xi(20)=0.000837725842876842 xi_scaled(20)=0.9999996029567333 zeta(21)=0 Stats: nr=34 min=1 max=338 Emax=9.005252165623489 nrkept=655 nrkeptmult=1628 Total energy=-3.386557798074241 Egs=-1.216576032644614 Kept: 655 out of 2781, ratio=0.236 GT[A_d-A_d]=56.06750335231398 I1T[A_d-A_d]=4.961462454257121e-15 I2T[A_d-A_d]=5.636686732152828e-05 Memory used: 91 MB Time elapsed: 5 s ***** [NRG] Iteration 22/66 (scale 0.00059236185946671895) ***** [1] xi(21)=0.0005923617418699626 xi_scaled(21)=0.9999998014781768 zeta(22)=0 Stats: nr=36 min=1 max=271 Safeguard: keep additional 1 states Emax=9.013019908896947 nrkept=642 nrkeptmult=1628 Total energy=-3.387234763713447 Egs=-1.142824488759913 Kept: 642 out of 2466, ratio=0.26 GT[A_d-A_d]=63.16600925753074 I1T[A_d-A_d]=2.423159138857515e-15 I2T[A_d-A_d]=2.831987263143886e-05 Memory used: 91 MB Time elapsed: 5 s ***** [NRG] Iteration 23/66 (scale 0.00041886308774518965) ***** [1] xi(22)=0.0004188630461684378 xi_scaled(22)=0.9999999007390409 zeta(23)=0 Stats: nr=33 min=1 max=297 Safeguard: keep additional 1 states Emax=9.00715351706063 nrkept=614 nrkeptmult=1542 Total energy=-3.387720842732927 Egs=-1.160472320674792 Kept: 614 out of 2430, ratio=0.253 GT[A_d-A_d]=72.69004396958624 I1T[A_d-A_d]=1.138628486269566e-15 I2T[A_d-A_d]=1.538462907050561e-05 Memory used: 91 MB Time elapsed: 6 s ***** [NRG] Iteration 24/66 (scale 0.00029618092973335947) ***** [1] xi(23)=0.0002961809150337544 xi_scaled(23)=0.9999999503695086 zeta(24)=0 Stats: nr=36 min=1 max=259 Safeguard: keep additional 1 states Emax=9.000563710907031 nrkept=607 nrkeptmult=1517 Total energy=-3.388076591204797 Egs=-1.201118762743715 Kept: 607 out of 2318, ratio=0.262 GT[A_d-A_d]=84.81819541095413 I1T[A_d-A_d]=3.469204356423565e-16 I2T[A_d-A_d]=8.696522239413369e-06 Memory used: 91 MB Time elapsed: 6 s ***** [NRG] Iteration 25/66 (scale 0.00020943154387259482) ***** [1] xi(24)=0.000209431538675499 xi_scaled(24)=0.9999999751847515 zeta(25)=0 Stats: nr=33 min=1 max=285 Emax=9.009553873480156 nrkept=592 nrkeptmult=1476 Total energy=-3.388306026951593 Egs=-1.095516666468396 Kept: 592 out of 2297, ratio=0.258 GT[A_d-A_d]=99.52243790729383 I1T[A_d-A_d]=-1.190928323839546e-16 I2T[A_d-A_d]=5.038854677116485e-06 Memory used: 91 MB Time elapsed: 6 s ***** [NRG] Iteration 26/66 (scale 0.00014809046486667974) ***** [1] xi(25)=0.0001480904630292288 xi_scaled(25)=0.999999987592375 zeta(26)=0 Stats: nr=36 min=1 max=251 Emax=9.009170454652107 nrkept=562 nrkeptmult=1368 Total energy=-3.388494289637046 Egs=-1.271268110488597 Kept: 562 out of 2234, ratio=0.252 GT[A_d-A_d]=117.2034694501823 I1T[A_d-A_d]=-4.451469356255015e-16 I2T[A_d-A_d]=2.957243710225634e-06 Memory used: 91 MB Time elapsed: 6 s ***** [NRG] Iteration 27/66 (scale 0.00010471577193629741) ***** [1] xi(26)=0.0001047157712866604 xi_scaled(26)=0.9999999937961874 zeta(27)=0 Stats: nr=33 min=1 max=273 Safeguard: keep additional 1 states Emax=9.014554397085867 nrkept=573 nrkeptmult=1412 Total energy=-3.388601609800316 Egs=-1.024871051276493 Kept: 573 out of 2117, ratio=0.271 GT[A_d-A_d]=137.8944830062444 I1T[A_d-A_d]=-5.775442402434326e-16 I2T[A_d-A_d]=1.748157647291614e-06 Memory used: 91 MB Time elapsed: 6 s ***** [NRG] Iteration 28/66 (scale 7.4045232433339868e-05) ***** [1] xi(27)=7.40452322036585e-05 xi_scaled(27)=0.9999999968980937 zeta(28)=0 Stats: nr=36 min=1 max=240 Safeguard: keep additional 2 states Emax=9.008444257372675 nrkept=537 nrkeptmult=1297 Total energy=-3.388701562229969 Egs=-1.349883393821856 Kept: 537 out of 2158, ratio=0.249 GT[A_d-A_d]=161.3760127052298 I1T[A_d-A_d]=-6.175075061577967e-16 I2T[A_d-A_d]=1.04069350400649e-06 Memory used: 91 MB Time elapsed: 6 s ***** [NRG] Iteration 29/66 (scale 5.2357885968148706e-05) ***** [1] xi(28)=5.235788588694408e-05 xi_scaled(28)=0.9999999984490469 zeta(29)=0 Stats: nr=33 min=1 max=260 Safeguard: keep additional 3 states Emax=9.055820409296402 nrkept=555 nrkeptmult=1360 Total energy=-3.388751617036405 Egs=-0.956012747846401 Kept: 555 out of 2018, ratio=0.275 GT[A_d-A_d]=187.3056056595843 I1T[A_d-A_d]=-5.623959162496264e-16 I2T[A_d-A_d]=6.165580679303747e-07 Memory used: 91 MB Time elapsed: 6 s ***** [NRG] Iteration 30/66 (scale 3.7022616216669934e-05) ***** [1] xi(29)=3.702261618795977e-05 xi_scaled(29)=0.9999999992245235 zeta(30)=0 Stats: nr=36 min=1 max=233 Safeguard: keep additional 1 states Emax=9.006472997374738 nrkept=498 nrkeptmult=1208 Total energy=-3.388804486978826 Egs=-1.428044471833205 Kept: 498 out of 2088, ratio=0.239 GT[A_d-A_d]=213.8573186337153 I1T[A_d-A_d]=-4.685348851102871e-16 I2T[A_d-A_d]=3.658813299071193e-07 Memory used: 91 MB Time elapsed: 6 s ***** [NRG] Iteration 31/66 (scale 2.6178942984074353e-05) ***** [1] xi(30)=2.617894297392377e-05 xi_scaled(30)=0.9999999996122617 zeta(31)=0 Stats: nr=33 min=1 max=240 Safeguard: keep additional 4 states Emax=9.00554143404517 nrkept=521 nrkeptmult=1258 Total energy=-3.388828005257734 Egs=-0.8983662526990721 Kept: 521 out of 1870, ratio=0.279 GT[A_d-A_d]=240.2738891034107 I1T[A_d-A_d]=-3.766323728160121e-16 I2T[A_d-A_d]=2.128494120698714e-07 Memory used: 91 MB Time elapsed: 6 s ***** [NRG] Iteration 32/66 (scale 1.8511308108334967e-05) ***** [1] xi(31)=1.85113081047462e-05 xi_scaled(31)=0.999999999806131 zeta(32)=0 Stats: nr=36 min=1 max=222 Safeguard: keep additional 2 states Emax=9.021107088927328 nrkept=461 nrkeptmult=1105 Total energy=-3.388855661096042 Egs=-1.493996974519693 Kept: 461 out of 1958, ratio=0.235 GT[A_d-A_d]=263.0456011173736 I1T[A_d-A_d]=-2.780827429983793e-16 I2T[A_d-A_d]=1.228747526524347e-07 Memory used: 91 MB Time elapsed: 6 s ***** [NRG] Iteration 33/66 (scale 1.3089471492037176e-05) ***** [1] xi(32)=1.308947149076835e-05 xi_scaled(32)=0.9999999999030655 zeta(33)=0 Stats: nr=31 min=1 max=225 Safeguard: keep additional 2 states Emax=9.007738701659393 nrkept=483 nrkeptmult=1156 Total energy=-3.388866883916943 Egs=-0.8573929747884287 Kept: 483 out of 1729, ratio=0.279 GT[A_d-A_d]=282.7191893597835 I1T[A_d-A_d]=-1.869752505344412e-16 I2T[A_d-A_d]=6.847429242602313e-08 Memory used: 91 MB Time elapsed: 6 s ***** [NRG] Iteration 34/66 (scale 9.2556540541674836e-06) ***** [1] xi(33)=9.255654053718888e-06 xi_scaled(33)=0.9999999999515328 zeta(34)=0 Stats: nr=34 min=1 max=207 Emax=9.007862607310079 nrkept=410 nrkeptmult=962 Total energy=-3.38888114460331 Egs=-1.540754038881912 Kept: 410 out of 1814, ratio=0.226 GT[A_d-A_d]=295.8169074272101 I1T[A_d-A_d]=-1.097965465261652e-16 I2T[A_d-A_d]=3.761530873688874e-08 Memory used: 91 MB Time elapsed: 6 s ***** [NRG] Iteration 35/66 (scale 6.5447357460185882e-06) ***** [1] xi(34)=6.544735745859986e-06 xi_scaled(34)=0.9999999999757664 zeta(35)=0 Stats: nr=31 min=1 max=207 Emax=9.020385416069013 nrkept=434 nrkeptmult=1034 Total energy=-3.388886589776657 Egs=-0.8319928502622539 Kept: 434 out of 1537, ratio=0.282 GT[A_d-A_d]=306.1644537534187 I1T[A_d-A_d]=-5.525733582337961e-17 I2T[A_d-A_d]=1.987002961983573e-08 Memory used: 91 MB Time elapsed: 6 s ***** [NRG] Iteration 36/66 (scale 4.6278270270837418e-06) ***** [1] xi(35)=4.627827027027667e-06 xi_scaled(35)=0.9999999999878832 zeta(36)=0 Stats: nr=32 min=1 max=187 Emax=9.012216368252052 nrkept=390 nrkeptmult=910 Total energy=-3.388893853182859 Egs=-1.569506846251254 Kept: 390 out of 1628, ratio=0.24 GT[A_d-A_d]=310.7160267037675 I1T[A_d-A_d]=-7.94475214621661e-18 I2T[A_d-A_d]=1.042018047809863e-08 Memory used: 91 MB Time elapsed: 6 s ***** [NRG] Iteration 37/66 (scale 3.2723678730092941e-06) ***** [1] xi(36)=3.272367872989469e-06 xi_scaled(36)=0.9999999999939416 zeta(37)=0 Stats: nr=31 min=1 max=196 Safeguard: keep additional 1 states Emax=9.01269568289154 nrkept=377 nrkeptmult=850 Total energy=-3.38889652884055 Egs=-0.8176518638233139 Kept: 377 out of 1460, ratio=0.258 GT[A_d-A_d]=315.178836200194 I1T[A_d-A_d]=1.103188283649312e-17 I2T[A_d-A_d]=5.288963560825237e-09 Memory used: 91 MB Time elapsed: 6 s ***** [NRG] Iteration 38/66 (scale 2.3139135135418709e-06) ***** [1] xi(37)=2.313913513534862e-06 xi_scaled(37)=0.9999999999969709 zeta(38)=0 Stats: nr=28 min=1 max=168 Safeguard: keep additional 1 states Emax=9.000886154625711 nrkept=347 nrkeptmult=797 Total energy=-3.388900197790469 Egs=-1.585603739041271 Kept: 347 out of 1404, ratio=0.247 GT[A_d-A_d]=315.5794604995625 I1T[A_d-A_d]=2.007702507978289e-17 I2T[A_d-A_d]=2.703724439174228e-09 Memory used: 91 MB Time elapsed: 6 s ***** [NRG] Iteration 39/66 (scale 1.6361839365046471e-06) ***** [1] xi(38)=1.636183936502169e-06 xi_scaled(38)=0.9999999999984855 zeta(39)=0 Stats: nr=31 min=1 max=177 Emax=9.234823780995606 nrkept=375 nrkeptmult=844 Total energy=-3.388901523094597 Egs=-0.8099970291784618 Kept: 375 out of 1294, ratio=0.29 GT[A_d-A_d]=317.9251444485574 I1T[A_d-A_d]=1.469130753255117e-17 I2T[A_d-A_d]=1.350197150125008e-09 Memory used: 91 MB Time elapsed: 6 s ***** [NRG] Iteration 40/66 (scale 1.1569567567709354e-06) ***** [1] xi(39)=1.156956756770059e-06 xi_scaled(39)=0.9999999999992428 zeta(40)=0 Stats: nr=28 min=1 max=167 Safeguard: keep additional 1 states Emax=9.004212882773274 nrkept=331 nrkeptmult=747 Total energy=-3.388903367447486 Egs=-1.594141594834141 Kept: 331 out of 1396, ratio=0.237 GT[A_d-A_d]=316.9035946681745 I1T[A_d-A_d]=9.736690050802485e-18 I2T[A_d-A_d]=6.832682497991475e-10 Memory used: 91 MB Time elapsed: 6 s ***** [NRG] Iteration 41/66 (scale 8.1809196825232353e-07) ***** [1] xi(40)=8.180919682520138e-07 xi_scaled(40)=0.9999999999996214 zeta(41)=0 Stats: nr=29 min=2 max=170 Emax=9.386034400211226 nrkept=375 nrkeptmult=844 Total energy=-3.388904026859789 Egs=-0.8060368863688929 Kept: 375 out of 1231, ratio=0.305 GT[A_d-A_d]=318.6769770334006 I1T[A_d-A_d]=3.933654507863779e-18 I2T[A_d-A_d]=3.39519810391119e-10 Memory used: 91 MB Time elapsed: 7 s ***** [NRG] Iteration 42/66 (scale 5.7847837838546772e-07) ***** [1] xi(41)=5.784783783853582e-07 xi_scaled(41)=0.9999999999998107 zeta(42)=0 Stats: nr=28 min=1 max=167 Safeguard: keep additional 1 states Emax=9.141935518138018 nrkept=329 nrkeptmult=739 Total energy=-3.3889049515813 Egs=-1.598541182529128 Kept: 329 out of 1396, ratio=0.236 GT[A_d-A_d]=317.2433496854691 I1T[A_d-A_d]=2.632264485023902e-18 I2T[A_d-A_d]=1.713302949077951e-10 Memory used: 91 MB Time elapsed: 7 s ***** [NRG] Iteration 43/66 (scale 4.0904598412616176e-07) ***** [1] xi(42)=4.090459841261231e-07 xi_scaled(42)=0.9999999999999054 zeta(43)=0 Stats: nr=29 min=2 max=170 Emax=9.465401117227001 nrkept=375 nrkeptmult=844 Total energy=-3.388905280463258 Egs=-0.804021968844895 Kept: 375 out of 1223, ratio=0.307 GT[A_d-A_d]=318.8791573715977 I1T[A_d-A_d]=1.403940773256905e-18 I2T[A_d-A_d]=8.500930013888622e-11 Memory used: 91 MB Time elapsed: 7 s ***** [NRG] Iteration 44/66 (scale 2.8923918919273386e-07) ***** [1] xi(43)=2.892391891927202e-07 xi_scaled(43)=0.9999999999999528 zeta(44)=0 Stats: nr=28 min=1 max=167 Emax=9.19396282973061 nrkept=328 nrkeptmult=738 Total energy=-3.388905743470045 Egs=-1.600774736681321 Kept: 328 out of 1396, ratio=0.235 GT[A_d-A_d]=317.3255559345616 I1T[A_d-A_d]=9.251562270020242e-19 I2T[A_d-A_d]=4.286922341541456e-11 Memory used: 91 MB Time elapsed: 7 s ***** [NRG] Iteration 45/66 (scale 2.0452299206308088e-07) ***** [1] xi(44)=2.045229920630761e-07 xi_scaled(44)=0.9999999999999765 zeta(45)=0 Stats: nr=29 min=2 max=169 Emax=9.505927541629541 nrkept=375 nrkeptmult=844 Total energy=-3.388905907703148 Egs=-0.8030055734547742 Kept: 375 out of 1219, ratio=0.308 GT[A_d-A_d]=318.9356708396301 I1T[A_d-A_d]=1.45730612368061e-19 I2T[A_d-A_d]=2.126059602878695e-11 Memory used: 91 MB Time elapsed: 7 s ***** [NRG] Iteration 46/66 (scale 1.4461959459636693e-07) ***** [1] xi(45)=1.446195945963652e-07 xi_scaled(45)=0.9999999999999882 zeta(46)=0 Stats: nr=28 min=1 max=167 Emax=9.20448225772396 nrkept=328 nrkeptmult=738 Total energy=-3.38890613936929 Egs=-1.601900093914418 Kept: 328 out of 1396, ratio=0.235 GT[A_d-A_d]=317.3444425998129 I1T[A_d-A_d]=2.08699322908354e-19 I2T[A_d-A_d]=1.072102299216043e-11 Memory used: 91 MB Time elapsed: 7 s ***** [NRG] Iteration 47/66 (scale 1.0226149603154044e-07) ***** [1] xi(46)=1.022614960315398e-07 xi_scaled(46)=0.9999999999999942 zeta(47)=0 Stats: nr=29 min=2 max=169 Emax=9.526052611789062 nrkept=375 nrkeptmult=844 Total energy=-3.388906221433641 Egs=-0.8024951126602202 Kept: 375 out of 1219, ratio=0.308 GT[A_d-A_d]=318.9526354294048 I1T[A_d-A_d]=2.3990853722725e-19 I2T[A_d-A_d]=5.315672483078304e-12 Memory used: 91 MB Time elapsed: 7 s ***** [NRG] Iteration 48/66 (scale 7.2309797298183465e-08) ***** [1] xi(47)=7.230979729818325e-08 xi_scaled(47)=0.9999999999999971 zeta(48)=0 Stats: nr=28 min=1 max=167 Emax=9.20976218884244 nrkept=328 nrkeptmult=738 Total energy=-3.388906337307555 Egs=-1.602464935213597 Kept: 328 out of 1396, ratio=0.235 GT[A_d-A_d]=317.3480217792866 I1T[A_d-A_d]=4.510159379951107e-19 I2T[A_d-A_d]=2.680607134074598e-12 Memory used: 91 MB Time elapsed: 7 s ***** [NRG] Iteration 49/66 (scale 5.113074801577022e-08) ***** [1] xi(48)=5.113074801577015e-08 xi_scaled(48)=0.9999999999999986 zeta(49)=0 Stats: nr=29 min=2 max=169 Emax=9.534815483792555 nrkept=375 nrkeptmult=844 Total energy=-3.388906378326651 Egs=-0.8022393128503555 Kept: 375 out of 1219, ratio=0.308 GT[A_d-A_d]=318.9579639330844 I1T[A_d-A_d]=3.196866434891745e-19 I2T[A_d-A_d]=1.328941086103409e-12 Memory used: 91 MB Time elapsed: 7 s ***** [NRG] Iteration 50/66 (scale 3.6154898649091733e-08) ***** [1] xi(49)=3.615489864909171e-08 xi_scaled(49)=0.9999999999999992 zeta(50)=0 Stats: nr=28 min=1 max=167 Emax=9.212407701573289 nrkept=328 nrkeptmult=738 Total energy=-3.388906436273839 Egs=-1.602747898811985 Kept: 328 out of 1396, ratio=0.235 GT[A_d-A_d]=317.3480124976855 I1T[A_d-A_d]=2.350611812895068e-19 I2T[A_d-A_d]=6.701882102635465e-13 Memory used: 91 MB Time elapsed: 7 s ***** [NRG] Iteration 51/66 (scale 2.556537400788511e-08) ***** [1] xi(50)=2.55653740078851e-08 xi_scaled(50)=0.9999999999999998 zeta(51)=0 Stats: nr=29 min=2 max=169 Safeguard: keep additional 1 states Emax=9.538186185539592 nrkept=376 nrkeptmult=850 Total energy=-3.388906456780114 Egs=-0.8021112701432597 Kept: 376 out of 1219, ratio=0.308 GT[A_d-A_d]=318.9608074055411 I1T[A_d-A_d]=7.335142989027027e-20 I2T[A_d-A_d]=3.322418000489256e-13 Memory used: 91 MB Time elapsed: 7 s ***** [NRG] Iteration 52/66 (scale 1.8077449324545866e-08) ***** [1] xi(51)=1.807744932454586e-08 xi_scaled(51)=0.9999999999999998 zeta(52)=0 Stats: nr=28 min=1 max=167 Emax=9.213732267470013 nrkept=328 nrkeptmult=738 Total energy=-3.388906485756268 Egs=-1.602889516627065 Kept: 328 out of 1400, ratio=0.234 GT[A_d-A_d]=317.3472792581222 I1T[A_d-A_d]=1.867706614719967e-20 I2T[A_d-A_d]=1.67550942776302e-13 Memory used: 91 MB Time elapsed: 7 s ***** [NRG] Iteration 53/66 (scale 1.2782687003942555e-08) ***** [1] xi(52)=1.278268700394256e-08 xi_scaled(52)=1 zeta(53)=0 Stats: nr=29 min=2 max=169 Safeguard: keep additional 1 states Emax=9.539804963751321 nrkept=376 nrkeptmult=850 Total energy=-3.388906496008586 Egs=-0.8020472130447747 Kept: 376 out of 1219, ratio=0.308 GT[A_d-A_d]=318.961057167197 I1T[A_d-A_d]=-2.090165208238739e-20 I2T[A_d-A_d]=8.306062072760621e-14 Memory used: 91 MB Time elapsed: 7 s ***** [NRG] Iteration 54/66 (scale 9.0387246622729332e-09) ***** [1] xi(53)=9.038724662272933e-09 xi_scaled(53)=1 zeta(54)=0 Stats: nr=28 min=1 max=167 Emax=9.21439450309385 nrkept=328 nrkeptmult=738 Total energy=-3.388906510497304 Egs=-1.602960359567561 Kept: 328 out of 1400, ratio=0.234 GT[A_d-A_d]=317.346469592173 I1T[A_d-A_d]=-2.043176179566899e-20 I2T[A_d-A_d]=4.188815295915844e-14 Memory used: 91 MB Time elapsed: 7 s ***** [NRG] Iteration 55/66 (scale 6.3913435019712775e-09) ***** [1] xi(54)=6.391343501971278e-09 xi_scaled(54)=1 zeta(55)=0 Stats: nr=29 min=2 max=169 Emax=9.540603615052618 nrkept=375 nrkeptmult=844 Total energy=-3.388906515623258 Egs=-0.8020151755600398 Kept: 375 out of 1219, ratio=0.308 GT[A_d-A_d]=318.9595220235699 I1T[A_d-A_d]=-2.851193990007399e-20 I2T[A_d-A_d]=2.07648479501086e-14 Memory used: 91 MB Time elapsed: 7 s ***** [NRG] Iteration 56/66 (scale 4.5193623311364666e-09) ***** [1] xi(55)=4.519362331136467e-09 xi_scaled(55)=1 zeta(56)=0 Stats: nr=28 min=1 max=167 Emax=9.214725352693952 nrkept=328 nrkeptmult=738 Total energy=-3.388906522867777 Egs=-1.602995789546599 Kept: 328 out of 1396, ratio=0.235 GT[A_d-A_d]=317.3456881025898 I1T[A_d-A_d]=-1.54114087876286e-20 I2T[A_d-A_d]=1.047207691660858e-14 Memory used: 91 MB Time elapsed: 7 s ***** [NRG] Iteration 57/66 (scale 3.1956717509856388e-09) ***** [1] xi(56)=3.195671750985639e-09 xi_scaled(56)=1 zeta(57)=0 Stats: nr=29 min=2 max=169 Emax=9.540986626917798 nrkept=375 nrkeptmult=844 Total energy=-3.388906525430702 Egs=-0.8019991545867768 Kept: 375 out of 1219, ratio=0.308 GT[A_d-A_d]=318.9590075118772 I1T[A_d-A_d]=-1.015275990851331e-20 I2T[A_d-A_d]=5.19120441646604e-15 Memory used: 91 MB Time elapsed: 7 s ***** [NRG] Iteration 58/66 (scale 2.2596811655682333e-09) ***** [1] xi(57)=2.259681165568233e-09 xi_scaled(57)=1 zeta(58)=0 Stats: nr=28 min=1 max=167 Emax=9.214890984153138 nrkept=328 nrkeptmult=738 Total energy=-3.388906529053002 Egs=-1.603013506662198 Kept: 328 out of 1396, ratio=0.235 GT[A_d-A_d]=317.344927071682 I1T[A_d-A_d]=-3.153501685149108e-21 I2T[A_d-A_d]=2.618020929570784e-15 Memory used: 91 MB Time elapsed: 7 s ***** [NRG] Iteration 59/66 (scale 1.5978358754928194e-09) ***** [1] xi(58)=1.597835875492819e-09 xi_scaled(58)=1 zeta(59)=0 Stats: nr=29 min=2 max=169 Emax=9.54117734346422 nrkept=375 nrkeptmult=844 Total energy=-3.388906530334452 Egs=-0.8019911435443878 Kept: 375 out of 1219, ratio=0.308 GT[A_d-A_d]=318.958384593764 I1T[A_d-A_d]=-3.407651312768892e-21 I2T[A_d-A_d]=1.297798657004913e-15 Memory used: 91 MB Time elapsed: 7 s ***** [NRG] Iteration 60/66 (scale 1.1298405827841166e-09) ***** [1] xi(59)=1.129840582784117e-09 xi_scaled(59)=1 zeta(60)=0 Stats: nr=28 min=1 max=167 Emax=9.214973804421415 nrkept=328 nrkeptmult=738 Total energy=-3.388906532145612 Egs=-1.603022365750589 Kept: 328 out of 1396, ratio=0.235 GT[A_d-A_d]=317.3441842320443 I1T[A_d-A_d]=4.592467986803196e-23 I2T[A_d-A_d]=6.545046938743967e-16 Memory used: 91 MB Time elapsed: 7 s ***** [NRG] Iteration 61/66 (scale 7.9891793774640969e-10) ***** [1] xi(60)=7.989179377464097e-10 xi_scaled(60)=1 zeta(61)=0 Stats: nr=29 min=2 max=169 Emax=9.541272527610269 nrkept=375 nrkeptmult=844 Total energy=-3.388906532786333 Egs=-0.8019871378852454 Kept: 375 out of 1219, ratio=0.308 GT[A_d-A_d]=318.9577096999418 I1T[A_d-A_d]=-3.942242633025429e-22 I2T[A_d-A_d]=3.244489879316732e-16 Memory used: 91 MB Time elapsed: 7 s ***** [NRG] Iteration 62/66 (scale 5.6492029139205832e-10) ***** [1] xi(61)=5.649202913920583e-10 xi_scaled(61)=1 zeta(62)=0 Stats: nr=28 min=1 max=167 Safeguard: keep additional 3 states Emax=9.215024860722712 nrkept=331 nrkeptmult=741 Total energy=-3.388906533691916 Egs=-1.603026795426968 Kept: 331 out of 1396, ratio=0.237 GT[A_d-A_d]=317.3451010808795 I1T[A_d-A_d]=2.227163604459853e-22 I2T[A_d-A_d]=1.636276906338972e-16 Memory used: 91 MB Time elapsed: 7 s ***** [NRG] Iteration 63/66 (scale 3.9945896887320485e-10) ***** [1] xi(62)=3.994589688732048e-10 xi_scaled(62)=1 zeta(63)=0 Stats: nr=29 min=2 max=170 Emax=9.541320077541741 nrkept=375 nrkeptmult=844 Total energy=-3.388906534012276 Egs=-0.8019851350217043 Kept: 375 out of 1228, ratio=0.305 GT[A_d-A_d]=318.9570772345451 I1T[A_d-A_d]=-3.898924702997932e-22 I2T[A_d-A_d]=8.111210959871362e-17 Memory used: 91 MB Time elapsed: 7 s ***** [NRG] Iteration 64/66 (scale 2.8246014569602916e-10) ***** [1] xi(63)=2.824601456960292e-10 xi_scaled(63)=1 zeta(64)=0 Stats: nr=28 min=1 max=167 Safeguard: keep additional 3 states Emax=9.215040831754735 nrkept=331 nrkeptmult=741 Total energy=-3.388906534465068 Egs=-1.60302901029885 Kept: 331 out of 1396, ratio=0.237 GT[A_d-A_d]=317.3443751672011 I1T[A_d-A_d]=3.060374395990135e-22 I2T[A_d-A_d]=4.090684499301631e-17 Memory used: 91 MB Time elapsed: 7 s ***** [NRG] Iteration 65/66 (scale 1.9972948443660242e-10) ***** [1] xi(64)=1.997294844366024e-10 xi_scaled(64)=1 zeta(65)=0 Stats: nr=29 min=2 max=170 Safeguard: keep additional 9 states Emax=9.541361247626096 nrkept=384 nrkeptmult=860 Total energy=-3.388906534625248 Egs=-0.8019841335818424 Kept: 384 out of 1228, ratio=0.313 GT[A_d-A_d]=318.9597614874677 I1T[A_d-A_d]=1.846158680931995e-22 I2T[A_d-A_d]=2.027876331080076e-17 Memory used: 91 MB Time elapsed: 7 s ***** [NRG] Iteration 66/66 (scale 1.4123007284801458e-10) ***** [1] xi(65)=1.412300728480146e-10 xi_scaled(65)=1 zeta(66)=0 Stats: nr=28 min=1 max=171 Safeguard: keep additional 3 states Emax=9.215048312084129 nrkept=331 nrkeptmult=741 Total energy=-3.388906534851644 Egs=-1.603030117743819 Kept: 331 out of 1428, ratio=0.232 GT[A_d-A_d]=317.3436918962525 I1T[A_d-A_d]=3.53650609970355e-22 I2T[A_d-A_d]=1.022669706351284e-17 Memory used: 91 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: -3.388906534851644 TKW=2.161910482293806e-05 Memory usage report =================== after diag: 93744 kB after recalc: 93744 kB after split: 93744 kB after trim: 93744 kB after trunc: 93744 kB diag_h: 93744 kB Peak usage: 93744 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