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.ALwTuX0c3H substeps=0 Ninit=0 Lambda=2 strategy=kept lastall=0 lastalloverride=0 z=0.5 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 0.03675381003970872 (-1 2) 2 states 0.01744628079168887 0.05259560338492885 (0 1) 3 states 0 0.03675381003970872 0.07004188417661775 (0 3) 1 states 0.033288074136909 (1 2) 2 states 0.01744628079168887 0.05259560338492885 (2 1) 1 states 0.03675381003970872 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]=0.2475124206671111 I1T[A_d-A_d]=-1.084202172485504e-19 I2T[A_d-A_d]=0.0001637562155701418 ***** [NRG] Iteration 1/67 (scale 1.0201394465967895) ***** [1] xi(0)=0.5953226115322621 xi_scaled(0)=0.5835698379454624 zeta(1)=0 Stats: nr=10 min=1 max=8 Emax=2.341258802721689 nrkept=35 nrkeptmult=64 Total energy=-1.191705229674183 Egs=-1.121102310092475 Kept: 35 out of 35, ratio=1 GT[A_d-A_d]=0.3499901740259677 I1T[A_d-A_d]=-6.823697423080644e-18 I2T[A_d-A_d]=0.0001969158286160889 Memory used: 46 MB Time elapsed: 0 s ***** [NRG] Iteration 2/67 (scale 0.72134752044448169) ***** [1] xi(1)=0.5603099649184721 xi_scaled(1)=0.7767545448457616 zeta(2)=0 Stats: nr=15 min=1 max=20 Emax=4.630614454499648 nrkept=126 nrkeptmult=256 Total energy=-1.667641127443849 Egs=-0.6597872513326214 Kept: 126 out of 126, ratio=1 GT[A_d-A_d]=0.4948359033875389 I1T[A_d-A_d]=-1.043544591017298e-18 I2T[A_d-A_d]=0.0002525253576774895 Memory used: 46 MB Time elapsed: 0 s ***** [NRG] Iteration 3/67 (scale 0.51006972329839473) ***** [1] xi(2)=0.5064499028506013 xi_scaled(2)=0.9929032830563131 zeta(3)=0 Stats: nr=21 min=1 max=75 Safeguard: keep additional 1 states Emax=9.042333653930731 nrkept=453 nrkeptmult=1010 Total energy=-2.47359302812669 Egs=-1.580081827776618 Kept: 453 out of 462, ratio=0.981 GT[A_d-A_d]=0.6995149905467101 I1T[A_d-A_d]=1.097175011468296e-16 I2T[A_d-A_d]=0.0002953720474009638 Memory used: 63 MB Time elapsed: 0 s ***** [NRG] Iteration 4/67 (scale 0.36067376022224085) ***** [1] xi(3)=0.3760615863399493 xi_scaled(3)=1.042664113153745 zeta(4)=0 Stats: nr=28 min=1 max=204 Safeguard: keep additional 1 states Emax=9.001025234061155 nrkept=1044 nrkeptmult=2504 Total energy=-2.799813313287364 Egs=-0.9044746836023293 Kept: 1044 out of 1684, ratio=0.62 GT[A_d-A_d]=0.9886098278872876 I1T[A_d-A_d]=1.193645463259273e-16 I2T[A_d-A_d]=0.0003299507301273353 Memory used: 66 MB Time elapsed: 0 s ***** [NRG] Iteration 5/67 (scale 0.25503486164919736) ***** [1] xi(4)=0.2584236143454666 xi_scaled(4)=1.013287409706876 zeta(5)=0 Stats: nr=36 min=1 max=474 Safeguard: keep additional 3 states Emax=9.215742029137816 nrkept=1453 nrkeptmult=3584 Total energy=-3.189999518915924 Egs=-1.529932822145955 Kept: 1453 out of 3921, ratio=0.371 GT[A_d-A_d]=1.396750899695896 I1T[A_d-A_d]=1.449523784311765e-15 I2T[A_d-A_d]=0.0003485725998712352 Memory used: 77 MB Time elapsed: 0 s ***** [NRG] Iteration 6/67 (scale 0.18033688011112042) ***** [1] xi(5)=0.1802987597909966 xi_scaled(5)=0.9997886160606733 zeta(6)=0 Stats: nr=42 min=1 max=563 Safeguard: keep additional 2 states Emax=9.01449259195536 nrkept=1395 nrkeptmult=3363 Total energy=-3.348613758133005 Egs=-0.8795441016798438 Kept: 1395 out of 5470, ratio=0.255 GT[A_d-A_d]=1.972432165043408 I1T[A_d-A_d]=3.544269359195139e-15 I2T[A_d-A_d]=0.000365887725900279 Memory used: 74 MB Time elapsed: 1 s ***** [NRG] Iteration 7/67 (scale 0.12751743082459868) ***** [1] xi(6)=0.1273062622245961 xi_scaled(6)=0.9983440020816209 zeta(7)=0 Stats: nr=36 min=1 max=625 Safeguard: keep additional 7 states Emax=9.221940814106455 nrkept=1263 nrkeptmult=3060 Total energy=-3.538807196912913 Egs=-1.491509337586331 Kept: 1263 out of 5238, ratio=0.241 GT[A_d-A_d]=2.783433464041574 I1T[A_d-A_d]=6.568389278451564e-15 I2T[A_d-A_d]=0.000383080407096806 Memory used: 79 MB Time elapsed: 1 s ***** [NRG] Iteration 8/67 (scale 0.090168440055560212) ***** [1] xi(7)=0.09006951794450192 xi_scaled(7)=0.9989029186819985 zeta(8)=0 Stats: nr=38 min=2 max=511 Safeguard: keep additional 5 states Emax=9.557769207926439 nrkept=1398 nrkeptmult=3376 Total energy=-3.620443667395564 Egs=-0.9053774295346314 Kept: 1398 out of 4750, ratio=0.294 GT[A_d-A_d]=3.92349166677571 I1T[A_d-A_d]=1.084416395720543e-14 I2T[A_d-A_d]=0.000410464575443986 Memory used: 85 MB Time elapsed: 1 s ***** [NRG] Iteration 9/67 (scale 0.063758715412299341) ***** [1] xi(8)=0.06372036781979587 xi_scaled(8)=0.999398551362657 zeta(9)=0 Stats: nr=36 min=1 max=626 Emax=9.247930399651153 nrkept=1216 nrkeptmult=2944 Total energy=-3.713533373184187 Egs=-1.460031074758232 Kept: 1216 out of 5253, ratio=0.231 GT[A_d-A_d]=5.520824190047208 I1T[A_d-A_d]=1.744656160187181e-14 I2T[A_d-A_d]=0.0004440538538606449 Memory used: 78 MB Time elapsed: 2 s ***** [NRG] Iteration 10/67 (scale 0.045084220027780106) ***** [1] xi(9)=0.0450701229509296 xi_scaled(9)=0.9996873168296618 zeta(10)=0 Stats: nr=38 min=2 max=491 Safeguard: keep additional 5 states Emax=9.572657416821221 nrkept=1398 nrkeptmult=3376 Total energy=-3.755661517501576 Egs=-0.9344321425862535 Kept: 1398 out of 4570, ratio=0.306 GT[A_d-A_d]=7.745753364353383 I1T[A_d-A_d]=2.547759041313082e-14 I2T[A_d-A_d]=0.0004928213745038884 Memory used: 85 MB Time elapsed: 2 s ***** [NRG] Iteration 11/67 (scale 0.031879357706149671) ***** [1] xi(10)=0.03187428225100154 xi_scaled(10)=0.9998407918002956 zeta(11)=0 Stats: nr=36 min=1 max=626 Emax=9.276579649956076 nrkept=1216 nrkeptmult=2944 Total energy=-3.801070585248455 Egs=-1.424403470278181 Kept: 1216 out of 5253, ratio=0.231 GT[A_d-A_d]=10.81551946794923 I1T[A_d-A_d]=3.534242124270283e-14 I2T[A_d-A_d]=0.000552862481253851 Memory used: 78 MB Time elapsed: 3 s ***** [NRG] Iteration 12/67 (scale 0.022542110013890053) ***** [1] xi(11)=0.02254029972442727 xi_scaled(11)=0.999919692989624 zeta(12)=0 Stats: nr=38 min=2 max=491 Safeguard: keep additional 4 states Emax=9.082973409681992 nrkept=1387 nrkeptmult=3353 Total energy=-3.822805855633486 Egs=-0.9642074487099157 Kept: 1387 out of 4570, ratio=0.304 GT[A_d-A_d]=14.97857965727831 I1T[A_d-A_d]=4.516583963224939e-14 I2T[A_d-A_d]=0.0006312408613363472 Memory used: 86 MB Time elapsed: 3 s ***** [NRG] Iteration 13/67 (scale 0.015939678853074835) ***** [1] xi(12)=0.01593903604414499 xi_scaled(12)=0.9999596724039568 zeta(13)=0 Stats: nr=36 min=1 max=621 Safeguard: keep additional 1 states Emax=9.022014462613976 nrkept=1201 nrkeptmult=2914 Total energy=-3.8449188905156 Egs=-1.387294881279742 Kept: 1201 out of 5212, ratio=0.23 GT[A_d-A_d]=20.4621025125061 I1T[A_d-A_d]=5.436735711455943e-14 I2T[A_d-A_d]=0.0007186573777135266 Memory used: 78 MB Time elapsed: 4 s ***** [NRG] Iteration 14/67 (scale 0.011271055006945026) ***** [1] xi(13)=0.0112708272513763 xi_scaled(13)=0.999979792879319 zeta(14)=0 Stats: nr=38 min=2 max=486 Safeguard: keep additional 1 states Emax=9.000096156438154 nrkept=1216 nrkeptmult=2936 Total energy=-3.85611220768683 Egs=-0.9931028785090334 Kept: 1216 out of 4518, ratio=0.269 GT[A_d-A_d]=27.31401998197093 I1T[A_d-A_d]=5.917565548463889e-14 I2T[A_d-A_d]=0.000808617700999672 Memory used: 86 MB Time elapsed: 4 s ***** [NRG] Iteration 15/67 (scale 0.0079698394265374176) ***** [1] xi(14)=0.007969758816662351 xi_scaled(14)=0.9999898856337308 zeta(15)=0 Stats: nr=36 min=1 max=549 Emax=9.003345051419648 nrkept=1064 nrkeptmult=2590 Total energy=-3.866876680477089 Egs=-1.350651150438019 Kept: 1064 out of 4567, ratio=0.233 GT[A_d-A_d]=35.14612059953604 I1T[A_d-A_d]=5.345610583501345e-14 I2T[A_d-A_d]=0.0008699816520323025 Memory used: 86 MB Time elapsed: 5 s ***** [NRG] Iteration 16/67 (scale 0.0056355275034725132) ***** [1] xi(15)=0.005635498988370923 xi_scaled(15)=0.9999949401184586 zeta(16)=0 Stats: nr=38 min=1 max=435 Safeguard: keep additional 1 states Emax=9.210565057633605 nrkept=1102 nrkeptmult=2692 Total energy=-3.872630909888003 Egs=-1.021063140472321 Kept: 1102 out of 4010, ratio=0.275 GT[A_d-A_d]=42.77888207511395 I1T[A_d-A_d]=3.020912513196361e-14 I2T[A_d-A_d]=0.0008672283177184489 Memory used: 86 MB Time elapsed: 5 s ***** [NRG] Iteration 17/67 (scale 0.0039849197132687088) ***** [1] xi(16)=0.003984909628971153 xi_scaled(16)=0.9999974693850111 zeta(17)=0 Stats: nr=34 min=1 max=504 Emax=9.038421905340371 nrkept=974 nrkeptmult=2384 Total energy=-3.877867083803205 Egs=-1.313997342974496 Kept: 974 out of 4149, ratio=0.235 GT[A_d-A_d]=48.41660166280465 I1T[A_d-A_d]=-1.066708464553332e-14 I2T[A_d-A_d]=0.0007620167296044783 Memory used: 86 MB Time elapsed: 5 s ***** [NRG] Iteration 18/67 (scale 0.0028177637517362566) ***** [1] xi(17)=0.002817760185923852 xi_scaled(17)=0.9999987345239988 zeta(18)=0 Stats: nr=38 min=1 max=395 Safeguard: keep additional 2 states Emax=9.006869514032447 nrkept=937 nrkeptmult=2305 Total energy=-3.880827802256317 Egs=-1.050733387881489 Kept: 937 out of 3666, ratio=0.256 GT[A_d-A_d]=50.75264360991999 I1T[A_d-A_d]=-5.198272622221984e-14 I2T[A_d-A_d]=0.0005652893627170249 Memory used: 86 MB Time elapsed: 5 s ***** [NRG] Iteration 19/67 (scale 0.0019924598566343544) ***** [1] xi(18)=0.001992458595845365 xi_scaled(18)=0.9999993672198787 zeta(19)=0 Stats: nr=34 min=1 max=429 Safeguard: keep additional 3 states Emax=9.020593311374592 nrkept=822 nrkeptmult=2006 Total energy=-3.883367389856745 Egs=-1.274599130302229 Kept: 822 out of 3529, ratio=0.233 GT[A_d-A_d]=50.67048283727105 I1T[A_d-A_d]=-6.920005492699931e-14 I2T[A_d-A_d]=0.0003438990110968597 Memory used: 86 MB Time elapsed: 6 s ***** [NRG] Iteration 20/67 (scale 0.0014088818758681283) ***** [1] xi(19)=0.001408881430097072 xi_scaled(19)=0.9999996835994099 zeta(20)=0 Stats: nr=36 min=1 max=339 Safeguard: keep additional 1 states Emax=9.00862750681662 nrkept=759 nrkeptmult=1895 Total energy=-3.884897415523948 Egs=-1.085985768864129 Kept: 759 out of 3092, ratio=0.245 GT[A_d-A_d]=50.89528883130209 I1T[A_d-A_d]=-5.705013111059656e-14 I2T[A_d-A_d]=0.0001751780886259377 Memory used: 86 MB Time elapsed: 6 s ***** [NRG] Iteration 21/67 (scale 0.0009962299283171772) ***** [1] xi(20)=0.0009962297707106864 xi_scaled(20)=0.9999998417970728 zeta(21)=0 Stats: nr=34 min=1 max=351 Emax=9.006101721639235 nrkept=686 nrkeptmult=1710 Total energy=-3.886121960513425 Egs=-1.229179082729672 Kept: 686 out of 2862, ratio=0.24 GT[A_d-A_d]=53.58456236435261 I1T[A_d-A_d]=-3.479168984363962e-14 I2T[A_d-A_d]=8.191309662302528e-05 Memory used: 86 MB Time elapsed: 6 s ***** [NRG] Iteration 22/67 (scale 0.00070444093793406415) ***** [1] xi(21)=0.0007044408822112914 xi_scaled(21)=0.9999999208978784 zeta(22)=0 Stats: nr=36 min=1 max=279 Safeguard: keep additional 3 states Emax=9.000312091791795 nrkept=675 nrkeptmult=1701 Total energy=-3.88691806091874 Egs=-1.130116610840638 Kept: 675 out of 2584, ratio=0.261 GT[A_d-A_d]=59.31210182625067 I1T[A_d-A_d]=-1.762481825625338e-14 I2T[A_d-A_d]=3.950456217882883e-05 Memory used: 86 MB Time elapsed: 6 s ***** [NRG] Iteration 23/67 (scale 0.0004981149641585886) ***** [1] xi(22)=0.0004981149444575314 xi_scaled(22)=0.9999999604487747 zeta(23)=0 Stats: nr=33 min=1 max=310 Emax=9.015901820020835 nrkept=619 nrkeptmult=1554 Total energy=-3.887503527617084 Egs=-1.175364605504451 Kept: 619 out of 2553, ratio=0.242 GT[A_d-A_d]=67.59713147201117 I1T[A_d-A_d]=-8.233355382527023e-15 I2T[A_d-A_d]=2.074305144969763e-05 Memory used: 86 MB Time elapsed: 6 s ***** [NRG] Iteration 24/67 (scale 0.00035222046896703208) ***** [1] xi(23)=0.000352220462001642 xi_scaled(23)=0.9999999802243461 zeta(24)=0 Stats: nr=36 min=1 max=262 Emax=9.027696944859647 nrkept=613 nrkeptmult=1537 Total energy=-3.887921051653656 Egs=-1.185405373505396 Kept: 613 out of 2338, ratio=0.262 GT[A_d-A_d]=78.46325805262529 I1T[A_d-A_d]=-3.331091200685668e-15 I2T[A_d-A_d]=1.15136591409e-05 Memory used: 86 MB Time elapsed: 6 s ***** [NRG] Iteration 25/67 (scale 0.0002490574820792943) ***** [1] xi(24)=0.0002490574796166545 xi_scaled(24)=0.9999999901121628 zeta(25)=0 Stats: nr=33 min=1 max=288 Safeguard: keep additional 2 states Emax=9.01448691091791 nrkept=595 nrkeptmult=1488 Total energy=-3.888198123367215 Egs=-1.112480987300611 Kept: 595 out of 2321, ratio=0.256 GT[A_d-A_d]=91.79451077295792 I1T[A_d-A_d]=-9.517354310182333e-16 I2T[A_d-A_d]=6.608425880852298e-06 Memory used: 86 MB Time elapsed: 6 s ***** [NRG] Iteration 26/67 (scale 0.00017611023448351604) ***** [1] xi(25)=0.0001761102336128409 xi_scaled(25)=0.9999999950560788 zeta(26)=0 Stats: nr=36 min=1 max=252 Safeguard: keep additional 1 states Emax=9.013172281828451 nrkept=576 nrkeptmult=1412 Total energy=-3.888418740231756 Egs=-1.25272029299428 Kept: 576 out of 2246, ratio=0.256 GT[A_d-A_d]=108.0116515878406 I1T[A_d-A_d]=4.156981014436419e-16 I2T[A_d-A_d]=3.854957731176139e-06 Memory used: 86 MB Time elapsed: 6 s ***** [NRG] Iteration 27/67 (scale 0.00012452874103964715) ***** [1] xi(26)=0.0001245287407318169 xi_scaled(26)=0.9999999975280389 zeta(27)=0 Stats: nr=33 min=1 max=277 Emax=9.000247661673438 nrkept=578 nrkeptmult=1430 Total energy=-3.88854858930573 Egs=-1.042723735015845 Kept: 578 out of 2173, ratio=0.266 GT[A_d-A_d]=127.167787899758 I1T[A_d-A_d]=1.054993855955996e-15 I2T[A_d-A_d]=2.271513195267206e-06 Memory used: 86 MB Time elapsed: 7 s ***** [NRG] Iteration 28/67 (scale 8.8055117241758019e-05) ***** [1] xi(27)=8.805511713292358e-05 xi_scaled(27)=0.9999999987640191 zeta(28)=0 Stats: nr=36 min=1 max=243 Safeguard: keep additional 1 states Emax=9.000708587767091 nrkept=546 nrkeptmult=1314 Total energy=-3.888665687921734 Egs=-1.329833173499024 Kept: 546 out of 2178, ratio=0.251 GT[A_d-A_d]=149.2911893555699 I1T[A_d-A_d]=1.429602250161988e-15 I2T[A_d-A_d]=1.349474541227998e-06 Memory used: 86 MB Time elapsed: 7 s ***** [NRG] Iteration 29/67 (scale 6.2264370519823575e-05) ***** [1] xi(28)=6.226437048134479e-05 xi_scaled(28)=0.9999999993820096 zeta(29)=0 Stats: nr=33 min=1 max=267 Safeguard: keep additional 3 states Emax=9.025096282260693 nrkept=555 nrkeptmult=1368 Total energy=-3.888726241357839 Egs=-0.9725214532652278 Kept: 555 out of 2053, ratio=0.27 GT[A_d-A_d]=174.1725711331464 I1T[A_d-A_d]=1.457628836616069e-15 I2T[A_d-A_d]=8.003224993565966e-07 Memory used: 86 MB Time elapsed: 7 s ***** [NRG] Iteration 30/67 (scale 4.402755862087901e-05) ***** [1] xi(29)=4.402755860727471e-05 xi_scaled(29)=0.9999999996910048 zeta(30)=0 Stats: nr=36 min=1 max=233 Safeguard: keep additional 1 states Emax=9.019337396149631 nrkept=508 nrkeptmult=1230 Total energy=-3.888788285520282 Egs=-1.409211966030671 Kept: 508 out of 2092, ratio=0.243 GT[A_d-A_d]=200.4656514868496 I1T[A_d-A_d]=1.310209187611624e-15 I2T[A_d-A_d]=4.762478534975323e-07 Memory used: 86 MB Time elapsed: 7 s ***** [NRG] Iteration 31/67 (scale 3.1132185259911788e-05) ***** [1] xi(30)=3.113218525510194e-05 xi_scaled(30)=0.9999999998455025 zeta(31)=0 Stats: nr=33 min=1 max=247 Safeguard: keep additional 3 states Emax=9.022623614226012 nrkept=533 nrkeptmult=1294 Total energy=-3.8888166565155 Egs=-0.9113075417069225 Kept: 533 out of 1909, ratio=0.279 GT[A_d-A_d]=227.4433494821988 I1T[A_d-A_d]=1.023597454800382e-15 I2T[A_d-A_d]=2.789941190288391e-07 Memory used: 86 MB Time elapsed: 7 s ***** [NRG] Iteration 32/67 (scale 2.2013779310439505e-05) ***** [1] xi(31)=2.201377930873897e-05 xi_scaled(31)=0.9999999999227512 zeta(32)=0 Stats: nr=36 min=1 max=226 Safeguard: keep additional 2 states Emax=9.013180825894658 nrkept=469 nrkeptmult=1121 Total energy=-3.888849218983952 Egs=-1.479185740591759 Kept: 469 out of 2006, ratio=0.234 GT[A_d-A_d]=251.8952300638108 I1T[A_d-A_d]=7.071371180346781e-16 I2T[A_d-A_d]=1.625547401343638e-07 Memory used: 86 MB Time elapsed: 7 s ***** [NRG] Iteration 33/67 (scale 1.5566092629955894e-05) ***** [1] xi(32)=1.556609262935466e-05 xi_scaled(32)=0.9999999999613756 zeta(33)=0 Stats: nr=31 min=1 max=229 Safeguard: keep additional 2 states Emax=9.000207163944223 nrkept=491 nrkeptmult=1176 Total energy=-3.888862699810071 Egs=-0.8660378965742711 Kept: 491 out of 1758, ratio=0.279 GT[A_d-A_d]=273.7987069570456 I1T[A_d-A_d]=4.53546987833202e-16 I2T[A_d-A_d]=9.175274074936458e-08 Memory used: 86 MB Time elapsed: 7 s ***** [NRG] Iteration 34/67 (scale 1.1006889655219752e-05) ***** [1] xi(33)=1.100688965500719e-05 xi_scaled(33)=0.9999999999806879 zeta(34)=0 Stats: nr=34 min=1 max=210 Safeguard: keep additional 1 states Emax=9.01934085262009 nrkept=427 nrkeptmult=1005 Total energy=-3.88887955044588 Egs=-1.530917119756863 Kept: 427 out of 1844, ratio=0.232 GT[A_d-A_d]=289.5058597062886 I1T[A_d-A_d]=2.841330464010576e-16 I2T[A_d-A_d]=5.108229933778969e-08 Memory used: 86 MB Time elapsed: 7 s ***** [NRG] Iteration 35/67 (scale 7.7830463149779469e-06) ***** [1] xi(34)=7.783046314902793e-06 xi_scaled(34)=0.9999999999903439 zeta(35)=0 Stats: nr=31 min=1 max=213 Safeguard: keep additional 1 states Emax=9.007443626522369 nrkept=443 nrkeptmult=1050 Total energy=-3.888886065727324 Egs=-0.8371119971552169 Kept: 443 out of 1600, ratio=0.277 GT[A_d-A_d]=301.9942411030112 I1T[A_d-A_d]=1.78912648311993e-16 I2T[A_d-A_d]=2.73281218597082e-08 Memory used: 86 MB Time elapsed: 7 s ***** [NRG] Iteration 36/67 (scale 5.5034448276098762e-06) ***** [1] xi(35)=5.503444827583306e-06 xi_scaled(35)=0.999999999995172 zeta(36)=0 Stats: nr=32 min=1 max=192 Safeguard: keep additional 1 states Emax=9.022088818851925 nrkept=394 nrkeptmult=918 Total energy=-3.888894671650302 Egs=-1.563733851721966 Kept: 394 out of 1660, ratio=0.237 GT[A_d-A_d]=308.2725355728659 I1T[A_d-A_d]=1.005115434119309e-16 I2T[A_d-A_d]=1.447589030970457e-08 Memory used: 86 MB Time elapsed: 7 s ***** [NRG] Iteration 37/67 (scale 3.8915231574889735e-06) ***** [1] xi(36)=3.891523157479579e-06 xi_scaled(36)=0.9999999999975859 zeta(37)=0 Stats: nr=31 min=1 max=200 Safeguard: keep additional 1 states Emax=9.003164413469921 nrkept=382 nrkeptmult=868 Total energy=-3.888897864490515 Egs=-0.8204602885121302 Kept: 382 out of 1475, ratio=0.259 GT[A_d-A_d]=313.7759927268629 I1T[A_d-A_d]=5.354241174254487e-17 I2T[A_d-A_d]=7.403262445684146e-09 Memory used: 86 MB Time elapsed: 7 s ***** [NRG] Iteration 38/67 (scale 2.7517224138049381e-06) ***** [1] xi(37)=2.751722413801617e-06 xi_scaled(37)=0.9999999999987931 zeta(38)=0 Stats: nr=28 min=1 max=170 Emax=9.0214786635987 nrkept=356 nrkeptmult=824 Total energy=-3.888902218984486 Egs=-1.582461206547396 Kept: 356 out of 1424, ratio=0.25 GT[A_d-A_d]=314.8710059413195 I1T[A_d-A_d]=2.067166371545134e-17 I2T[A_d-A_d]=3.80211995343619e-09 Memory used: 86 MB Time elapsed: 7 s ***** [NRG] Iteration 39/67 (scale 1.9457615787444867e-06) ***** [1] xi(38)=1.945761578743312e-06 xi_scaled(38)=0.9999999999993964 zeta(39)=0 Stats: nr=31 min=1 max=182 Emax=9.181263969295749 nrkept=375 nrkeptmult=844 Total energy=-3.888903797914972 Egs=-0.8114717152960975 Kept: 375 out of 1330, ratio=0.282 GT[A_d-A_d]=317.5266365687118 I1T[A_d-A_d]=1.000793746290965e-17 I2T[A_d-A_d]=1.903607512503211e-09 Memory used: 86 MB Time elapsed: 7 s ***** [NRG] Iteration 40/67 (scale 1.3758612069024691e-06) ***** [1] xi(39)=1.375861206902054e-06 xi_scaled(39)=0.9999999999996984 zeta(40)=0 Stats: nr=28 min=1 max=167 Safeguard: keep additional 1 states Emax=9.044951733087492 nrkept=333 nrkeptmult=759 Total energy=-3.888905988974113 Egs=-1.59250012259459 Kept: 333 out of 1396, ratio=0.239 GT[A_d-A_d]=316.7211742215547 I1T[A_d-A_d]=5.663315224901455e-18 I2T[A_d-A_d]=9.647081500845758e-10 Memory used: 86 MB Time elapsed: 7 s ***** [NRG] Iteration 41/67 (scale 9.7288078937224336e-07) ***** [1] xi(40)=9.728807893720966e-07 xi_scaled(40)=0.9999999999998491 zeta(41)=0 Stats: nr=31 min=1 max=170 Emax=9.356802336245403 nrkept=375 nrkeptmult=844 Total energy=-3.8889067738876 Egs=-0.806793078447458 Kept: 375 out of 1239, ratio=0.303 GT[A_d-A_d]=318.5697539149885 I1T[A_d-A_d]=6.132983413625389e-18 I2T[A_d-A_d]=4.797554731670461e-10 Memory used: 86 MB Time elapsed: 7 s ***** [NRG] Iteration 42/67 (scale 6.8793060345123453e-07) ***** [1] xi(41)=6.879306034511826e-07 xi_scaled(41)=0.9999999999999246 zeta(42)=0 Stats: nr=28 min=1 max=167 Safeguard: keep additional 1 states Emax=9.11274149394259 nrkept=329 nrkeptmult=739 Total energy=-3.88890787299574 Egs=-1.597702057366504 Kept: 329 out of 1396, ratio=0.236 GT[A_d-A_d]=317.1963154656538 I1T[A_d-A_d]=4.217386556956206e-18 I2T[A_d-A_d]=2.421719180230541e-10 Memory used: 86 MB Time elapsed: 7 s ***** [NRG] Iteration 43/67 (scale 4.8644039468612168e-07) ***** [1] xi(42)=4.864403946861034e-07 xi_scaled(42)=0.9999999999999624 zeta(43)=0 Stats: nr=29 min=2 max=170 Emax=9.450198111803191 nrkept=375 nrkeptmult=844 Total energy=-3.8889082642908 Egs=-0.8044049471650381 Kept: 375 out of 1223, ratio=0.307 GT[A_d-A_d]=318.8499435180792 I1T[A_d-A_d]=3.121438419772448e-18 I2T[A_d-A_d]=1.201950716232995e-10 Memory used: 86 MB Time elapsed: 7 s ***** [NRG] Iteration 44/67 (scale 3.4396530172561726e-07) ***** [1] xi(43)=3.439653017256108e-07 xi_scaled(43)=0.9999999999999812 zeta(44)=0 Stats: nr=28 min=1 max=167 Emax=9.18999660063386 nrkept=328 nrkeptmult=738 Total energy=-3.888908814755832 Egs=-1.600350468140751 Kept: 328 out of 1396, ratio=0.235 GT[A_d-A_d]=317.3144842381289 I1T[A_d-A_d]=1.209241895806317e-18 I2T[A_d-A_d]=6.061608499814134e-11 Memory used: 86 MB Time elapsed: 7 s ***** [NRG] Iteration 45/67 (scale 2.4322019734306084e-07) ***** [1] xi(44)=2.432201973430586e-07 xi_scaled(44)=0.9999999999999907 zeta(45)=0 Stats: nr=29 min=2 max=169 Emax=9.498229873156317 nrkept=375 nrkeptmult=844 Total energy=-3.888909010109882 Egs=-0.8031983055806263 Kept: 375 out of 1219, ratio=0.308 GT[A_d-A_d]=318.9273540230556 I1T[A_d-A_d]=2.950607011716466e-19 I2T[A_d-A_d]=3.006527941563538e-11 Memory used: 86 MB Time elapsed: 7 s ***** [NRG] Iteration 46/67 (scale 1.7198265086280863e-07) ***** [1] xi(45)=1.719826508628078e-07 xi_scaled(45)=0.9999999999999952 zeta(46)=0 Stats: nr=28 min=1 max=167 Emax=9.20248819946212 nrkept=328 nrkeptmult=738 Total energy=-3.888909285572219 Egs=-1.601686769309034 Kept: 328 out of 1396, ratio=0.235 GT[A_d-A_d]=317.3421429481509 I1T[A_d-A_d]=-3.556453737889851e-19 I2T[A_d-A_d]=1.516092359906787e-11 Memory used: 86 MB Time elapsed: 7 s ***** [NRG] Iteration 47/67 (scale 1.2161009867153042e-07) ***** [1] xi(46)=1.216100986715301e-07 xi_scaled(46)=0.9999999999999976 zeta(47)=0 Stats: nr=29 min=2 max=169 Emax=9.522327195379081 nrkept=375 nrkeptmult=844 Total energy=-3.888909383175486 Egs=-0.8025917923298873 Kept: 375 out of 1219, ratio=0.308 GT[A_d-A_d]=318.9501557914041 I1T[A_d-A_d]=-3.01938346073507e-19 I2T[A_d-A_d]=7.517390893455631e-12 Memory used: 86 MB Time elapsed: 7 s ***** [NRG] Iteration 48/67 (scale 8.5991325431404316e-08) ***** [1] xi(47)=8.599132543140421e-08 xi_scaled(47)=0.9999999999999988 zeta(48)=0 Stats: nr=28 min=1 max=167 Emax=9.208762338816049 nrkept=328 nrkeptmult=738 Total energy=-3.888909520964372 Egs=-1.602357973583755 Kept: 328 out of 1396, ratio=0.235 GT[A_d-A_d]=317.3477864926156 I1T[A_d-A_d]=-3.400336838955421e-19 I2T[A_d-A_d]=3.790864138555876e-12 Memory used: 86 MB Time elapsed: 7 s ***** [NRG] Iteration 49/67 (scale 6.080504933576521e-08) ***** [1] xi(48)=6.080504933576517e-08 xi_scaled(48)=0.9999999999999993 zeta(49)=0 Stats: nr=29 min=2 max=169 Emax=9.533359496259976 nrkept=375 nrkeptmult=844 Total energy=-3.888909569747517 Egs=-0.8022877314421671 Kept: 375 out of 1219, ratio=0.308 GT[A_d-A_d]=318.9572467807985 I1T[A_d-A_d]=-1.510796533473176e-19 I2T[A_d-A_d]=1.879402758760875e-12 Memory used: 86 MB Time elapsed: 7 s ***** [NRG] Iteration 50/67 (scale 4.2995662715702158e-08) ***** [1] xi(49)=4.299566271570214e-08 xi_scaled(49)=0.9999999999999997 zeta(50)=0 Stats: nr=28 min=1 max=167 Emax=9.21190693804914 nrkept=328 nrkeptmult=738 Total energy=-3.888909638656422 Egs=-1.602694342949989 Kept: 328 out of 1396, ratio=0.235 GT[A_d-A_d]=317.3482283845226 I1T[A_d-A_d]=-1.467247283679849e-19 I2T[A_d-A_d]=9.477803489983768e-13 Memory used: 86 MB Time elapsed: 7 s ***** [NRG] Iteration 51/67 (scale 3.0402524667882605e-08) ***** [1] xi(50)=3.04025246678826e-08 xi_scaled(50)=0.9999999999999998 zeta(51)=0 Stats: nr=29 min=2 max=169 Safeguard: keep additional 1 states Emax=9.53757343630501 nrkept=376 nrkeptmult=850 Total energy=-3.888909663043367 Egs=-0.8021354991689381 Kept: 376 out of 1219, ratio=0.308 GT[A_d-A_d]=318.9606830419257 I1T[A_d-A_d]=-2.482335414059251e-20 I2T[A_d-A_d]=4.698603560297734e-13 Memory used: 86 MB Time elapsed: 7 s ***** [NRG] Iteration 52/67 (scale 2.1497831357851079e-08) ***** [1] xi(51)=2.149783135785108e-08 xi_scaled(51)=1 zeta(52)=0 Stats: nr=28 min=1 max=167 Emax=9.213481775572868 nrkept=328 nrkeptmult=738 Total energy=-3.888909697501439 Egs=-1.602862719908974 Kept: 328 out of 1400, ratio=0.234 GT[A_d-A_d]=317.3475696981804 I1T[A_d-A_d]=-1.700897889380406e-20 I2T[A_d-A_d]=2.369518881944759e-13 Memory used: 86 MB Time elapsed: 8 s ***** [NRG] Iteration 53/67 (scale 1.5201262333941303e-08) ***** [1] xi(52)=1.52012623339413e-08 xi_scaled(52)=1 zeta(53)=0 Stats: nr=29 min=2 max=169 Safeguard: keep additional 1 states Emax=9.539498523615169 nrkept=376 nrkeptmult=850 Total energy=-3.888909709693753 Egs=-0.8020593324926919 Kept: 376 out of 1219, ratio=0.308 GT[A_d-A_d]=318.9611555988623 I1T[A_d-A_d]=1.751448964565053e-20 I2T[A_d-A_d]=1.174654668034638e-13 Memory used: 86 MB Time elapsed: 8 s ***** [NRG] Iteration 54/67 (scale 1.0748915678925539e-08) ***** [1] xi(53)=1.074891567892554e-08 xi_scaled(53)=1 zeta(54)=0 Stats: nr=28 min=1 max=167 Emax=9.21426921292702 nrkept=328 nrkeptmult=738 Total energy=-3.888909726923695 Egs=-1.602946956509894 Kept: 328 out of 1400, ratio=0.234 GT[A_d-A_d]=317.3467629666114 I1T[A_d-A_d]=8.669253485164935e-21 I2T[A_d-A_d]=5.923870922669184e-14 Memory used: 86 MB Time elapsed: 8 s ***** [NRG] Iteration 55/67 (scale 7.6006311669706513e-09) ***** [1] xi(54)=7.600631166970651e-09 xi_scaled(54)=1 zeta(55)=0 Stats: nr=29 min=2 max=169 Safeguard: keep additional 2 states Emax=9.540461751150918 nrkept=377 nrkeptmult=854 Total energy=-3.888909733019563 Egs=-0.8020212365169274 Kept: 377 out of 1219, ratio=0.309 GT[A_d-A_d]=318.9619124976664 I1T[A_d-A_d]=2.378083191896293e-20 I2T[A_d-A_d]=2.936665078533983e-14 Memory used: 86 MB Time elapsed: 8 s ***** [NRG] Iteration 56/67 (scale 5.3744578394627697e-09) ***** [1] xi(55)=5.37445783946277e-09 xi_scaled(55)=1 zeta(56)=0 Stats: nr=28 min=1 max=167 Emax=9.214662691439969 nrkept=328 nrkeptmult=738 Total energy=-3.88890974163476 Egs=-1.602989086843391 Kept: 328 out of 1404, ratio=0.234 GT[A_d-A_d]=317.3459886390232 I1T[A_d-A_d]=1.322252086575136e-20 I2T[A_d-A_d]=1.480975293546983e-14 Memory used: 86 MB Time elapsed: 8 s ***** [NRG] Iteration 57/67 (scale 3.8003155834853256e-09) ***** [1] xi(56)=3.800315583485326e-09 xi_scaled(56)=1 zeta(57)=0 Stats: nr=29 min=2 max=169 Emax=9.540913713900631 nrkept=375 nrkeptmult=844 Total energy=-3.888909744682622 Egs=-0.8020021853727849 Kept: 375 out of 1219, ratio=0.308 GT[A_d-A_d]=318.9592415812045 I1T[A_d-A_d]=2.067238411221669e-20 I2T[A_d-A_d]=7.341476896295218e-15 Memory used: 86 MB Time elapsed: 8 s ***** [NRG] Iteration 58/67 (scale 2.6872289197313849e-09) ***** [1] xi(57)=2.687228919731385e-09 xi_scaled(57)=1 zeta(58)=0 Stats: nr=28 min=1 max=167 Emax=9.214859651018228 nrkept=328 nrkeptmult=738 Total energy=-3.888909748990277 Egs=-1.603010155017307 Kept: 328 out of 1396, ratio=0.235 GT[A_d-A_d]=317.3452066376061 I1T[A_d-A_d]=1.249753906411411e-20 I2T[A_d-A_d]=3.702441836629414e-15 Memory used: 86 MB Time elapsed: 8 s ***** [NRG] Iteration 59/67 (scale 1.9001577917426628e-09) ***** [1] xi(58)=1.900157791742663e-09 xi_scaled(58)=1 zeta(59)=0 Stats: nr=29 min=2 max=169 Emax=9.541141301997337 nrkept=375 nrkeptmult=844 Total energy=-3.888909750514189 Egs=-0.8019926590139169 Kept: 375 out of 1219, ratio=0.308 GT[A_d-A_d]=318.9586385428544 I1T[A_d-A_d]=1.037412604201214e-20 I2T[A_d-A_d]=1.83536590032385e-15 Memory used: 86 MB Time elapsed: 8 s ***** [NRG] Iteration 60/67 (scale 1.3436144598656924e-09) ***** [1] xi(59)=1.343614459865692e-09 xi_scaled(59)=1 zeta(60)=0 Stats: nr=28 min=1 max=167 Emax=9.214958137244558 nrkept=328 nrkeptmult=738 Total energy=-3.888909752668031 Egs=-1.603020689854973 Kept: 328 out of 1396, ratio=0.235 GT[A_d-A_d]=317.3444600967737 I1T[A_d-A_d]=3.923685191411971e-21 I2T[A_d-A_d]=9.256099536977601e-16 Memory used: 86 MB Time elapsed: 8 s ***** [NRG] Iteration 61/67 (scale 9.5007889587133141e-10) ***** [1] xi(60)=9.500788958713314e-10 xi_scaled(60)=1 zeta(61)=0 Stats: nr=29 min=2 max=169 Emax=9.54125453041484 nrkept=375 nrkeptmult=844 Total energy=-3.888909753429983 Egs=-0.80198789563895 Kept: 375 out of 1219, ratio=0.308 GT[A_d-A_d]=318.9579733603717 I1T[A_d-A_d]=2.326271797188497e-21 I2T[A_d-A_d]=4.588405356198829e-16 Memory used: 86 MB Time elapsed: 8 s ***** [NRG] Iteration 62/67 (scale 6.7180722993284622e-10) ***** [1] xi(61)=6.718072299328462e-10 xi_scaled(61)=1 zeta(62)=0 Stats: nr=28 min=1 max=167 Emax=9.215007381922511 nrkept=328 nrkeptmult=738 Total energy=-3.888909754506908 Egs=-1.603025957460966 Kept: 328 out of 1396, ratio=0.235 GT[A_d-A_d]=317.3437254529874 I1T[A_d-A_d]=-6.052752768482564e-22 I2T[A_d-A_d]=2.314021612975093e-16 Memory used: 86 MB Time elapsed: 8 s ***** [NRG] Iteration 63/67 (scale 4.750394479356657e-10) ***** [1] xi(62)=4.750394479356657e-10 xi_scaled(62)=1 zeta(63)=0 Stats: nr=29 min=2 max=169 Emax=9.541311084706518 nrkept=375 nrkeptmult=844 Total energy=-3.888909754887882 Egs=-0.8019855139031941 Kept: 375 out of 1219, ratio=0.308 GT[A_d-A_d]=318.9572778015463 I1T[A_d-A_d]=-6.613706835693177e-22 I2T[A_d-A_d]=1.147098858383404e-16 Memory used: 86 MB Time elapsed: 8 s ***** [NRG] Iteration 64/67 (scale 3.3590361496642311e-10) ***** [1] xi(63)=3.359036149664231e-10 xi_scaled(63)=1 zeta(64)=0 Stats: nr=28 min=1 max=167 Safeguard: keep additional 3 states Emax=9.215037931442419 nrkept=331 nrkeptmult=741 Total energy=-3.888909755426345 Egs=-1.603028591310459 Kept: 331 out of 1396, ratio=0.237 GT[A_d-A_d]=317.3446466075167 I1T[A_d-A_d]=-9.858660042246628e-22 I2T[A_d-A_d]=5.785105971912489e-17 Memory used: 86 MB Time elapsed: 8 s ***** [NRG] Iteration 65/67 (scale 2.3751972396783285e-10) ***** [1] xi(64)=2.375197239678329e-10 xi_scaled(64)=1 zeta(65)=0 Stats: nr=29 min=2 max=170 Safeguard: keep additional 9 states Emax=9.541359976106492 nrkept=384 nrkeptmult=860 Total energy=-3.888909755616833 Egs=-0.8019843230235482 Kept: 384 out of 1228, ratio=0.313 GT[A_d-A_d]=318.9600321166928 I1T[A_d-A_d]=-2.338120109331682e-22 I2T[A_d-A_d]=2.867852634378751e-17 Memory used: 86 MB Time elapsed: 8 s ***** [NRG] Iteration 66/67 (scale 1.6795180748321155e-10) ***** [1] xi(65)=1.679518074832116e-10 xi_scaled(65)=1 zeta(66)=0 Stats: nr=28 min=1 max=171 Safeguard: keep additional 3 states Emax=9.215046789004052 nrkept=331 nrkeptmult=741 Total energy=-3.888909755886064 Egs=-1.603029908247576 Kept: 331 out of 1428, ratio=0.232 GT[A_d-A_d]=317.3439641319133 I1T[A_d-A_d]=-7.179951950767289e-23 I2T[A_d-A_d]=1.44627455684322e-17 Memory used: 86 MB Time elapsed: 8 s ***** [NRG] Iteration 67/67 (scale 1.1875986198391643e-10) ***** [1] xi(66)=1.187598619839164e-10 xi_scaled(66)=1 zeta(67)=0 Stats: nr=29 min=2 max=170 Safeguard: keep additional 9 states Emax=9.541363463499705 nrkept=384 nrkeptmult=860 Total energy=-3.888909755981308 Egs=-0.8019837275808237 Kept: 384 out of 1228, ratio=0.313 GT[A_d-A_d]=318.9593139969596 I1T[A_d-A_d]=2.272210212720615e-22 I2T[A_d-A_d]=7.169615578250606e-18 Memory used: 86 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: -3.888909755981308 TKW=2.142257529587677e-05 Memory usage report =================== after diag: 93040 kB after recalc: 95132 kB after split: 95132 kB after trim: 88772 kB after trunc: 93040 kB diag_h: 93040 kB Peak usage: 95132 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