NRG Ljubljana 2.4.3.31 - (c) Rok Zitko Timestamp: Mon Nov 13 12:55:52 2017 Compiled on Aug 14 2018 at 10:37:37 Compiled-in symmetry types: ANYJ DBLISOSZ DBLSU2 ISO ISO2 ISO2LR ISOLR ISOSZ ISOSZLR NONE P PP QJ QS QSC3 QSLR QST QSTZ QSZ QSZLR QSZTZ SL SL3 SPSU2 SPSU2C3 SPSU2LR SPSU2T SPU1 SPU1LR SU2 U1 No MPI: single node calculation. [OMP] Max. number of threads: 1 [OMP] Number of processors: 32 [OMP] Dynamic thread adjustment: 0 [OMP] Nested parallelism: 0 Using Intel MKL library 11.3.2 Processor optimization: Intel(R) Advanced Vector Extensions 2 (Intel(R) AVX2) enabled processors max_threads=1 blas_max_threads=1 dynamic=1 workdir=. substeps=0 Ninit=0 Lambda=2 strategy=kept lastall=0 lastalloverride=0 z=0.25 discretization=Z band=flat bandrescale=1 betabar=1 T=-999 keep=5000 keepenergy=10 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= specs= specd= spect= specq= specot= reim=0 specgt= gtp=0.7 speci1t= speci2t= 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=0 Nmax=67 subspaces=3 Reading <||||> (e) Reading <||||> (z) length_coef_table=67 Nmax=67 Number of invariant subspaces: 3 (-1 1) 1 states 0 (0 2) 1 states 0 (1 1) 1 states 0 Number of states (multiplicity taken into account): 4 Computing the following operators: s=[] p=[] g=[] d=[] v=[] t=[] q=[] ot=[] Computing the following spectra: Before NRG iteration (N=-1) ***** [NRG] Iteration 1/67 (scale 1.2131570881878404) ***** [1] xi(0)=0.5739838990129388 xi_scaled(0)=0.4731323788169347 zeta(1)=0 Stats: nr=6 min=1 max=3 Emax=1.892529515267739 nrkept=10 nrkeptmult=16 Total energy=-1.147967798025877 Egs=-0.9462647576338692 Kept: 10 out of 10, ratio=1 Memory used: 43 MB Time elapsed: 0 s ***** [NRG] Iteration 2/67 (scale 0.85783160370214839) ***** [1] xi(1)=0.5417369026256507 xi_scaled(1)=0.6315189371523197 zeta(2)=0 Stats: nr=10 min=1 max=8 Emax=3.680270998178127 nrkept=35 nrkeptmult=64 Total energy=-1.578526386212824 Egs=-0.5019150452475551 Kept: 35 out of 35, ratio=1 Memory used: 43 MB Time elapsed: 0 s ***** [NRG] Iteration 3/67 (scale 0.6065785440939202) ***** [1] xi(2)=0.5912860462544053 xi_scaled(2)=0.9747889238938411 zeta(3)=0 Stats: nr=15 min=1 max=20 Emax=8.474035244935122 nrkept=126 nrkeptmult=256 Total energy=-2.570083980736655 Egs=-1.634673043051623 Kept: 126 out of 126, ratio=1 Memory used: 44 MB Time elapsed: 0 s ***** [NRG] Iteration 4/67 (scale 0.4289158018510742) ***** [1] xi(3)=0.5158729607424856 xi_scaled(3)=1.202737130495379 zeta(4)=0 Stats: nr=21 min=1 max=75 Safeguard: keep additional 7 states Emax=10.31506709679545 nrkept=402 nrkeptmult=900 Total energy=-3.032359086379196 Egs=-1.077775879665654 Kept: 402 out of 462, ratio=0.87 Memory used: 60 MB Time elapsed: 0 s ***** [NRG] Iteration 5/67 (scale 0.3032892720469601) ***** [1] xi(4)=0.3404542429566779 xi_scaled(4)=1.122539681865052 zeta(5)=0 Stats: nr=28 min=1 max=180 Emax=10.33488700899794 nrkept=594 nrkeptmult=1404 Total energy=-3.548269905986912 Egs=-1.701051989494156 Kept: 594 out of 1496, ratio=0.397 Memory used: 62 MB Time elapsed: 0 s ***** [NRG] Iteration 6/67 (scale 0.2144579009255371) ***** [1] xi(5)=0.2214135831146372 xi_scaled(5)=1.032433788445571 zeta(6)=0 Stats: nr=33 min=2 max=284 Safeguard: keep additional 2 states Emax=10.22319056609112 nrkept=734 nrkeptmult=1748 Total energy=-3.725882136984322 Egs=-0.8281915948579603 Kept: 734 out of 2234, ratio=0.329 Memory used: 65 MB Time elapsed: 0 s ***** [NRG] Iteration 7/67 (scale 0.15164463602348005) ***** [1] xi(6)=0.152902811956196 xi_scaled(6)=1.008296870668878 zeta(7)=0 Stats: nr=38 min=1 max=302 Safeguard: keep additional 3 states Emax=10.39880016056548 nrkept=567 nrkeptmult=1321 Total energy=-3.969833776529692 Egs=-1.608706024442544 Kept: 567 out of 2750, ratio=0.206 Memory used: 67 MB Time elapsed: 0 s ***** [NRG] Iteration 8/67 (scale 0.10722895046276855) ***** [1] xi(7)=0.1075508678417629 xi_scaled(7)=1.003002149863493 zeta(8)=0 Stats: nr=33 min=1 max=273 Safeguard: keep additional 6 states Emax=10.43241583725819 nrkept=581 nrkeptmult=1360 Total energy=-4.056178032176958 Egs=-0.8052326845933836 Kept: 581 out of 2118, ratio=0.274 Memory used: 67 MB Time elapsed: 0 s ***** [NRG] Iteration 9/67 (scale 0.075822318011740025) ***** [1] xi(8)=0.07592236585864423 xi_scaled(8)=1.001319503934036 zeta(9)=0 Stats: nr=34 min=1 max=249 Emax=10.52469618051903 nrkept=498 nrkeptmult=1142 Total energy=-4.177795457462235 Egs=-1.603979256693869 Kept: 498 out of 2178, ratio=0.229 Memory used: 67 MB Time elapsed: 0 s ***** [NRG] Iteration 10/67 (scale 0.053614475231384275) ***** [1] xi(9)=0.05364782713658343 xi_scaled(9)=1.000622069041154 zeta(10)=0 Stats: nr=33 min=1 max=246 Safeguard: keep additional 7 states Emax=10.83711998885669 nrkept=574 nrkeptmult=1336 Total energy=-4.22083191866041 Egs=-0.8027022741982121 Kept: 574 out of 1857, ratio=0.309 Memory used: 67 MB Time elapsed: 0 s ***** [NRG] Iteration 11/67 (scale 0.037911159005870013) ***** [1] xi(10)=0.03792261705256315 xi_scaled(10)=1.000302234144078 zeta(11)=0 Stats: nr=34 min=1 max=248 Emax=10.52573011447042 nrkept=498 nrkeptmult=1142 Total energy=-4.281612909855714 Egs=-1.603248035384323 Kept: 498 out of 2150, ratio=0.232 Memory used: 67 MB Time elapsed: 0 s ***** [NRG] Iteration 12/67 (scale 0.026807237615692137) ***** [1] xi(11)=0.02681123139335603 xi_scaled(11)=1.000148981320685 zeta(12)=0 Stats: nr=33 min=1 max=246 Safeguard: keep additional 7 states Emax=10.83750720036555 nrkept=574 nrkeptmult=1336 Total energy=-4.303116545758917 Egs=-0.8021578430227879 Kept: 574 out of 1857, ratio=0.309 Memory used: 67 MB Time elapsed: 0 s ***** [NRG] Iteration 13/67 (scale 0.018955579502935006) ***** [1] xi(12)=0.01895698153749041 xi_scaled(12)=1.000073964214873 zeta(13)=0 Stats: nr=34 min=1 max=248 Emax=10.52598509926789 nrkept=498 nrkeptmult=1142 Total energy=-4.33350393621665 Egs=-1.603084223989473 Kept: 498 out of 2150, ratio=0.232 Memory used: 67 MB Time elapsed: 0 s ***** [NRG] Iteration 14/67 (scale 0.013403618807846069) ***** [1] xi(13)=0.01340411275001429 xi_scaled(13)=1.000036851403737 zeta(14)=0 Stats: nr=33 min=1 max=246 Safeguard: keep additional 7 states Emax=10.83760258266309 nrkept=574 nrkeptmult=1336 Total energy=-4.344253993894565 Egs=-0.8020265147813586 Kept: 574 out of 1857, ratio=0.309 Memory used: 67 MB Time elapsed: 0 s ***** [NRG] Iteration 15/67 (scale 0.0094777897514675032) ***** [1] xi(14)=0.009477964077759639 xi_scaled(14)=1.000018393137715 zeta(15)=0 Stats: nr=34 min=1 max=248 Emax=10.52604839311893 nrkept=498 nrkeptmult=1142 Total energy=-4.359447311562712 Egs=-1.603044387621493 Kept: 498 out of 2150, ratio=0.232 Memory used: 67 MB Time elapsed: 0 s ***** [NRG] Iteration 16/67 (scale 0.0067018094039230343) ***** [1] xi(15)=0.006701870983107951 xi_scaled(15)=1.000009188441689 zeta(16)=0 Stats: nr=33 min=1 max=246 Safeguard: keep additional 7 states Emax=10.83762633992594 nrkept=574 nrkeptmult=1336 Total energy=-4.364822122313701 Egs=-0.8019939731265197 Kept: 574 out of 1857, ratio=0.309 Memory used: 67 MB Time elapsed: 0 s ***** [NRG] Iteration 17/67 (scale 0.0047388948757337516) ***** [1] xi(16)=0.004738916637643105 xi_scaled(16)=1.00000459219078 zeta(17)=0 Stats: nr=34 min=1 max=248 Emax=10.5260641887797 nrkept=498 nrkeptmult=1142 Total energy=-4.372418734278753 Egs=-1.603034497336463 Kept: 498 out of 2150, ratio=0.232 Memory used: 67 MB Time elapsed: 0 s ***** [NRG] Iteration 18/67 (scale 0.0033509047019615172) ***** [1] xi(17)=0.003350912394258439 xi_scaled(17)=1.000002295588089 zeta(18)=0 Stats: nr=33 min=1 max=246 Safeguard: keep additional 7 states Emax=10.83763227391989 nrkept=574 nrkeptmult=1336 Total energy=-4.375106112453658 Egs=-0.8019858557395254 Kept: 574 out of 1857, ratio=0.309 Memory used: 67 MB Time elapsed: 0 s ***** [NRG] Iteration 19/67 (scale 0.0023694474378668758) ***** [1] xi(18)=0.002369450157204092 xi_scaled(18)=1.000001147667246 zeta(19)=0 Stats: nr=34 min=1 max=248 Emax=10.52606813600007 nrkept=498 nrkeptmult=1142 Total energy=-4.378904412587712 Egs=-1.603032029051267 Kept: 498 out of 2150, ratio=0.232 Memory used: 67 MB Time elapsed: 0 s ***** [NRG] Iteration 20/67 (scale 0.0016754523509807586) ***** [1] xi(19)=0.001675453312358546 xi_scaled(19)=1.000000573801927 zeta(20)=0 Stats: nr=33 min=1 max=246 Safeguard: keep additional 7 states Emax=10.83763375711625 nrkept=574 nrkeptmult=1336 Total energy=-4.380248098276974 Egs=-0.8019838275172884 Kept: 574 out of 1857, ratio=0.309 Memory used: 67 MB Time elapsed: 0 s ***** [NRG] Iteration 21/67 (scale 0.0011847237189334379) ***** [1] xi(20)=0.001184724058822427 xi_scaled(20)=1.00000028689304 zeta(21)=0 Stats: nr=34 min=1 max=248 Emax=10.52606912270867 nrkept=498 nrkeptmult=1142 Total energy=-4.382147247613259 Egs=-1.603031412247867 Kept: 498 out of 2150, ratio=0.232 Memory used: 67 MB Time elapsed: 1 s ***** [NRG] Iteration 22/67 (scale 0.00083772617549037929) ***** [1] xi(21)=0.0008377262956576245 xi_scaled(21)=1.000000143444539 zeta(22)=0 Stats: nr=33 min=1 max=246 Safeguard: keep additional 7 states Emax=10.83763412790373 nrkept=574 nrkeptmult=1336 Total energy=-4.382819090033176 Egs=-0.8019833205318097 Kept: 574 out of 1857, ratio=0.309 Memory used: 67 MB Time elapsed: 1 s ***** [NRG] Iteration 23/67 (scale 0.00059236185946671895) ***** [1] xi(22)=0.0005923619019519626 xi_scaled(22)=1.000000071721774 zeta(23)=0 Stats: nr=34 min=1 max=248 Emax=10.52606936938306 nrkept=498 nrkeptmult=1142 Total energy=-4.383768664609986 Egs=-1.603031258063909 Kept: 498 out of 2150, ratio=0.232 Memory used: 67 MB Time elapsed: 1 s ***** [NRG] Iteration 24/67 (scale 0.00041886308774518965) ***** [1] xi(23)=0.0004188631027659398 xi_scaled(23)=1.000000035860763 zeta(24)=0 Stats: nr=33 min=1 max=246 Safeguard: keep additional 7 states Emax=10.83763422060257 nrkept=574 nrkeptmult=1336 Total energy=-4.384104585766857 Egs=-0.8019831937897876 Kept: 574 out of 1857, ratio=0.309 Memory used: 67 MB Time elapsed: 1 s ***** [NRG] Iteration 25/67 (scale 0.00029618092973335947) ***** [1] xi(24)=0.0002961809350439874 xi_scaled(24)=1.000000017930351 zeta(25)=0 Stats: nr=34 min=1 max=248 Emax=10.52606943105296 nrkept=498 nrkeptmult=1142 Total energy=-4.384579373043846 Egs=-1.603031219519004 Kept: 498 out of 2150, ratio=0.232 Memory used: 67 MB Time elapsed: 1 s ***** [NRG] Iteration 26/67 (scale 0.00020943154387259482) ***** [1] xi(25)=0.0002094315457501837 xi_scaled(25)=1.000000008965168 zeta(26)=0 Stats: nr=33 min=1 max=246 Safeguard: keep additional 7 states Emax=10.83763424377859 nrkept=574 nrkeptmult=1336 Total energy=-4.384747333615645 Egs=-0.8019831621044705 Kept: 574 out of 1857, ratio=0.309 Memory used: 67 MB Time elapsed: 1 s ***** [NRG] Iteration 27/67 (scale 0.00014809046486667974) ***** [1] xi(26)=0.0001480904655305074 xi_scaled(26)=1.000000004482582 zeta(27)=0 Stats: nr=34 min=1 max=248 Emax=10.5260694464712 nrkept=498 nrkeptmult=1142 Total energy=-4.384984727252712 Egs=-1.603031209882921 Kept: 498 out of 2150, ratio=0.232 Memory used: 67 MB Time elapsed: 1 s ***** [NRG] Iteration 28/67 (scale 0.00010471577193629741) ***** [1] xi(27)=0.0001047157721709959 xi_scaled(27)=1.00000000224129 zeta(28)=0 Stats: nr=33 min=1 max=246 Safeguard: keep additional 7 states Emax=10.83763424957323 nrkept=574 nrkeptmult=1336 Total energy=-4.385068707537783 Egs=-0.8019831541831449 Kept: 574 out of 1857, ratio=0.309 Memory used: 67 MB Time elapsed: 1 s ***** [NRG] Iteration 29/67 (scale 7.4045232433339868e-05) ***** [1] xi(28)=7.404523251631829e-05 xi_scaled(28)=1.000000001120645 zeta(29)=0 Stats: nr=34 min=1 max=248 Emax=10.52606945032612 nrkept=498 nrkeptmult=1142 Total energy=-4.385187404356138 Egs=-1.603031207473918 Kept: 498 out of 2150, ratio=0.232 Memory used: 67 MB Time elapsed: 1 s ***** [NRG] Iteration 30/67 (scale 5.2357885968148706e-05) ***** [1] xi(29)=5.235788599748601e-05 xi_scaled(29)=1.000000000560322 zeta(30)=0 Stats: nr=33 min=1 max=246 Safeguard: keep additional 7 states Emax=10.83763425102225 nrkept=574 nrkeptmult=1336 Total energy=-4.38522939449857 Egs=-0.8019831522028411 Kept: 574 out of 1857, ratio=0.309 Memory used: 67 MB Time elapsed: 1 s ***** [NRG] Iteration 31/67 (scale 3.7022616216669934e-05) ***** [1] xi(30)=3.702261622704224e-05 xi_scaled(30)=1.000000000280161 zeta(31)=0 Stats: nr=34 min=1 max=248 Emax=10.52606945129006 nrkept=498 nrkeptmult=1142 Total energy=-4.385288742907725 Egs=-1.603031206871639 Kept: 498 out of 2150, ratio=0.232 Memory used: 67 MB Time elapsed: 1 s ***** [NRG] Iteration 32/67 (scale 2.6178942984074353e-05) ***** [1] xi(31)=2.617894298774152e-05 xi_scaled(31)=1.000000000140081 zeta(32)=0 Stats: nr=33 min=1 max=246 Safeguard: keep additional 7 states Emax=10.83763425138467 nrkept=574 nrkeptmult=1336 Total energy=-4.385309737978927 Egs=-0.8019831517077529 Kept: 574 out of 1857, ratio=0.309 Memory used: 67 MB Time elapsed: 1 s ***** [NRG] Iteration 33/67 (scale 1.8511308108334967e-05) ***** [1] xi(32)=1.851130810963151e-05 xi_scaled(32)=1.00000000007004 zeta(33)=0 Stats: nr=34 min=1 max=248 Emax=10.52606945153116 nrkept=498 nrkeptmult=1142 Total energy=-4.385339412183502 Egs=-1.603031206721077 Kept: 498 out of 2150, ratio=0.232 Memory used: 67 MB Time elapsed: 1 s ***** [NRG] Iteration 34/67 (scale 1.3089471492037176e-05) ***** [1] xi(33)=1.308947149249557e-05 xi_scaled(33)=1.00000000003502 zeta(34)=0 Stats: nr=33 min=1 max=246 Safeguard: keep additional 7 states Emax=10.83763425147535 nrkept=574 nrkeptmult=1336 Total energy=-4.385349909719102 Egs=-0.8019831515839525 Kept: 574 out of 1857, ratio=0.309 Memory used: 67 MB Time elapsed: 1 s ***** [NRG] Iteration 35/67 (scale 9.2556540541674836e-06) ***** [1] xi(34)=9.255654054329551e-06 xi_scaled(34)=1.00000000001751 zeta(35)=0 Stats: nr=34 min=1 max=248 Emax=10.52606945159145 nrkept=498 nrkeptmult=1142 Total energy=-4.385364746821389 Egs=-1.60303120668346 Kept: 498 out of 2150, ratio=0.232 Memory used: 67 MB Time elapsed: 1 s ***** [NRG] Iteration 36/67 (scale 6.5447357460185882e-06) ***** [1] xi(35)=6.544735746075888e-06 xi_scaled(35)=1.000000000008755 zeta(36)=0 Stats: nr=33 min=1 max=246 Safeguard: keep additional 7 states Emax=10.83763425149807 nrkept=574 nrkeptmult=1336 Total energy=-4.385369995589189 Egs=-0.8019831515530186 Kept: 574 out of 1857, ratio=0.309 Memory used: 67 MB Time elapsed: 1 s ***** [NRG] Iteration 37/67 (scale 4.6278270270837418e-06) ***** [1] xi(36)=4.627827027104e-06 xi_scaled(36)=1.000000000004378 zeta(37)=0 Stats: nr=34 min=1 max=248 Emax=10.5260694516066 nrkept=498 nrkeptmult=1142 Total energy=-4.385377414140332 Egs=-1.603031206674046 Kept: 498 out of 2150, ratio=0.232 Memory used: 67 MB Time elapsed: 1 s ***** [NRG] Iteration 38/67 (scale 3.2723678730092941e-06) ***** [1] xi(37)=3.272367873016457e-06 xi_scaled(37)=1.000000000002189 zeta(38)=0 Stats: nr=33 min=1 max=246 Safeguard: keep additional 7 states Emax=10.83763425150383 nrkept=574 nrkeptmult=1336 Total energy=-4.385380038524231 Egs=-0.8019831515453058 Kept: 574 out of 1857, ratio=0.309 Memory used: 67 MB Time elapsed: 1 s ***** [NRG] Iteration 39/67 (scale 2.3139135135418709e-06) ***** [1] xi(38)=2.313913513544403e-06 xi_scaled(38)=1.000000000001094 zeta(39)=0 Stats: nr=34 min=1 max=248 Emax=10.52606945161037 nrkept=498 nrkeptmult=1142 Total energy=-4.385383747799803 Egs=-1.603031206671665 Kept: 498 out of 2150, ratio=0.232 Memory used: 67 MB Time elapsed: 1 s ***** [NRG] Iteration 40/67 (scale 1.6361839365046471e-06) ***** [1] xi(39)=1.636183936505542e-06 xi_scaled(39)=1.000000000000547 zeta(40)=0 Stats: nr=33 min=1 max=246 Safeguard: keep additional 7 states Emax=10.83763425150523 nrkept=574 nrkeptmult=1336 Total energy=-4.385385059991753 Egs=-0.8019831515433445 Kept: 574 out of 1857, ratio=0.309 Memory used: 67 MB Time elapsed: 2 s ***** [NRG] Iteration 41/67 (scale 1.1569567567709354e-06) ***** [1] xi(40)=1.156956756771252e-06 xi_scaled(40)=1.000000000000274 zeta(41)=0 Stats: nr=34 min=1 max=248 Emax=10.52606945161132 nrkept=498 nrkeptmult=1142 Total energy=-4.385386914629539 Egs=-1.603031206671101 Kept: 498 out of 2150, ratio=0.232 Memory used: 67 MB Time elapsed: 2 s ***** [NRG] Iteration 42/67 (scale 8.1809196825232353e-07) ***** [1] xi(41)=8.180919682524354e-07 xi_scaled(41)=1.000000000000137 zeta(42)=0 Stats: nr=33 min=1 max=246 Safeguard: keep additional 7 states Emax=10.83763425150561 nrkept=574 nrkeptmult=1336 Total energy=-4.385387570725514 Egs=-0.8019831515428795 Kept: 574 out of 1857, ratio=0.309 Memory used: 67 MB Time elapsed: 2 s ***** [NRG] Iteration 43/67 (scale 5.7847837838546772e-07) ***** [1] xi(42)=5.784783783855073e-07 xi_scaled(42)=1.000000000000068 zeta(43)=0 Stats: nr=34 min=1 max=248 Emax=10.52606945161154 nrkept=498 nrkeptmult=1142 Total energy=-4.385388498044406 Egs=-1.603031206670939 Kept: 498 out of 2150, ratio=0.232 Memory used: 67 MB Time elapsed: 2 s ***** [NRG] Iteration 44/67 (scale 4.0904598412616176e-07) ***** [1] xi(43)=4.090459841261758e-07 xi_scaled(43)=1.000000000000034 zeta(44)=0 Stats: nr=33 min=1 max=246 Safeguard: keep additional 7 states Emax=10.83763425150572 nrkept=574 nrkeptmult=1336 Total energy=-4.385388826092394 Egs=-0.8019831515427718 Kept: 574 out of 1857, ratio=0.309 Memory used: 67 MB Time elapsed: 2 s ***** [NRG] Iteration 45/67 (scale 2.8923918919273386e-07) ***** [1] xi(44)=2.892391891927388e-07 xi_scaled(44)=1.000000000000017 zeta(45)=0 Stats: nr=34 min=1 max=248 Emax=10.52606945161163 nrkept=498 nrkeptmult=1142 Total energy=-4.385389289751841 Egs=-1.603031206670885 Kept: 498 out of 2150, ratio=0.232 Memory used: 67 MB Time elapsed: 2 s ***** [NRG] Iteration 46/67 (scale 2.0452299206308088e-07) ***** [1] xi(45)=2.045229920630826e-07 xi_scaled(45)=1.000000000000008 zeta(46)=0 Stats: nr=33 min=1 max=246 Safeguard: keep additional 7 states Emax=10.8376342515058 nrkept=574 nrkeptmult=1336 Total energy=-4.385389453775835 Egs=-0.8019831515427526 Kept: 574 out of 1857, ratio=0.309 Memory used: 67 MB Time elapsed: 2 s ***** [NRG] Iteration 47/67 (scale 1.4461959459636693e-07) ***** [1] xi(46)=1.446195945963676e-07 xi_scaled(46)=1.000000000000004 zeta(47)=0 Stats: nr=34 min=1 max=248 Emax=10.52606945161171 nrkept=498 nrkeptmult=1142 Total energy=-4.385389685605558 Egs=-1.603031206670861 Kept: 498 out of 2150, ratio=0.232 Memory used: 67 MB Time elapsed: 2 s ***** [NRG] Iteration 48/67 (scale 1.0226149603154044e-07) ***** [1] xi(47)=1.022614960315407e-07 xi_scaled(47)=1.000000000000002 zeta(48)=0 Stats: nr=33 min=1 max=246 Safeguard: keep additional 7 states Emax=10.83763425150584 nrkept=574 nrkeptmult=1336 Total energy=-4.385389767617555 Egs=-0.8019831515427378 Kept: 574 out of 1857, ratio=0.309 Memory used: 67 MB Time elapsed: 2 s ***** [NRG] Iteration 49/67 (scale 7.2309797298183465e-08) ***** [1] xi(48)=7.230979729818354e-08 xi_scaled(48)=1.000000000000001 zeta(49)=0 Stats: nr=34 min=1 max=248 Emax=10.5260694516117 nrkept=498 nrkeptmult=1142 Total energy=-4.385389883532417 Egs=-1.60303120667086 Kept: 498 out of 2150, ratio=0.232 Memory used: 67 MB Time elapsed: 2 s ***** [NRG] Iteration 50/67 (scale 5.113074801577022e-08) ***** [1] xi(49)=5.113074801577025e-08 xi_scaled(49)=1.000000000000001 zeta(50)=0 Stats: nr=33 min=1 max=246 Safeguard: keep additional 7 states Emax=10.83763425150585 nrkept=574 nrkeptmult=1336 Total energy=-4.385389924538416 Egs=-0.8019831515427249 Kept: 574 out of 1857, ratio=0.309 Memory used: 67 MB Time elapsed: 2 s ***** [NRG] Iteration 51/67 (scale 3.6154898649091733e-08) ***** [1] xi(50)=3.615489864909175e-08 xi_scaled(50)=1 zeta(51)=0 Stats: nr=34 min=1 max=248 Emax=10.52606945161169 nrkept=498 nrkeptmult=1142 Total energy=-4.385389982495846 Egs=-1.603031206670871 Kept: 498 out of 2150, ratio=0.232 Memory used: 67 MB Time elapsed: 2 s ***** [NRG] Iteration 52/67 (scale 2.556537400788511e-08) ***** [1] xi(51)=2.556537400788511e-08 xi_scaled(51)=1 zeta(52)=0 Stats: nr=33 min=1 max=246 Safeguard: keep additional 7 states Emax=10.83763425150588 nrkept=574 nrkeptmult=1336 Total energy=-4.385390002998846 Egs=-0.8019831515427481 Kept: 574 out of 1857, ratio=0.309 Memory used: 67 MB Time elapsed: 2 s ***** [NRG] Iteration 53/67 (scale 1.8077449324545866e-08) ***** [1] xi(52)=1.807744932454587e-08 xi_scaled(52)=1 zeta(53)=0 Stats: nr=34 min=1 max=248 Emax=10.52606945161166 nrkept=498 nrkeptmult=1142 Total energy=-4.385390031977561 Egs=-1.60303120667085 Kept: 498 out of 2150, ratio=0.232 Memory used: 67 MB Time elapsed: 2 s ***** [NRG] Iteration 54/67 (scale 1.2782687003942555e-08) ***** [1] xi(53)=1.278268700394256e-08 xi_scaled(53)=1 zeta(54)=0 Stats: nr=33 min=1 max=246 Safeguard: keep additional 7 states Emax=10.83763425150583 nrkept=574 nrkeptmult=1336 Total energy=-4.38539004222906 Egs=-0.8019831515427223 Kept: 574 out of 1857, ratio=0.309 Memory used: 67 MB Time elapsed: 2 s ***** [NRG] Iteration 55/67 (scale 9.0387246622729332e-09) ***** [1] xi(54)=9.038724662272933e-09 xi_scaled(54)=1 zeta(55)=0 Stats: nr=34 min=1 max=248 Emax=10.52606945161166 nrkept=498 nrkeptmult=1142 Total energy=-4.385390056718418 Egs=-1.603031206670874 Kept: 498 out of 2150, ratio=0.232 Memory used: 67 MB Time elapsed: 2 s ***** [NRG] Iteration 56/67 (scale 6.3913435019712775e-09) ***** [1] xi(55)=6.391343501971278e-09 xi_scaled(55)=1 zeta(56)=0 Stats: nr=33 min=1 max=246 Safeguard: keep additional 7 states Emax=10.83763425150584 nrkept=574 nrkeptmult=1336 Total energy=-4.385390061844167 Egs=-0.8019831515427239 Kept: 574 out of 1857, ratio=0.309 Memory used: 67 MB Time elapsed: 2 s ***** [NRG] Iteration 57/67 (scale 4.5193623311364666e-09) ***** [1] xi(56)=4.519362331136467e-09 xi_scaled(56)=1 zeta(57)=0 Stats: nr=34 min=1 max=248 Emax=10.52606945161165 nrkept=498 nrkeptmult=1142 Total energy=-4.385390069088846 Egs=-1.603031206670873 Kept: 498 out of 2150, ratio=0.232 Memory used: 67 MB Time elapsed: 2 s ***** [NRG] Iteration 58/67 (scale 3.1956717509856388e-09) ***** [1] xi(57)=3.195671750985639e-09 xi_scaled(57)=1 zeta(58)=0 Stats: nr=33 min=1 max=246 Safeguard: keep additional 7 states Emax=10.83763425150586 nrkept=574 nrkeptmult=1336 Total energy=-4.385390071651721 Egs=-0.8019831515427396 Kept: 574 out of 1857, ratio=0.309 Memory used: 67 MB Time elapsed: 2 s ***** [NRG] Iteration 59/67 (scale 2.2596811655682333e-09) ***** [1] xi(58)=2.259681165568233e-09 xi_scaled(58)=1 zeta(59)=0 Stats: nr=34 min=1 max=248 Emax=10.52606945161168 nrkept=498 nrkeptmult=1142 Total energy=-4.385390075274061 Egs=-1.60303120667086 Kept: 498 out of 2150, ratio=0.232 Memory used: 67 MB Time elapsed: 3 s ***** [NRG] Iteration 60/67 (scale 1.5978358754928194e-09) ***** [1] xi(59)=1.597835875492819e-09 xi_scaled(59)=1 zeta(60)=0 Stats: nr=33 min=1 max=246 Safeguard: keep additional 7 states Emax=10.83763425150588 nrkept=574 nrkeptmult=1336 Total energy=-4.385390076555498 Egs=-0.8019831515427349 Kept: 574 out of 1857, ratio=0.309 Memory used: 67 MB Time elapsed: 3 s ***** [NRG] Iteration 61/67 (scale 1.1298405827841166e-09) ***** [1] xi(60)=1.129840582784117e-09 xi_scaled(60)=1 zeta(61)=0 Stats: nr=34 min=1 max=248 Emax=10.52606945161167 nrkept=498 nrkeptmult=1142 Total energy=-4.385390078366668 Egs=-1.603031206670859 Kept: 498 out of 2150, ratio=0.232 Memory used: 67 MB Time elapsed: 3 s ***** [NRG] Iteration 62/67 (scale 7.9891793774640969e-10) ***** [1] xi(61)=7.989179377464097e-10 xi_scaled(61)=1 zeta(62)=0 Stats: nr=33 min=1 max=246 Safeguard: keep additional 7 states Emax=10.8376342515059 nrkept=574 nrkeptmult=1336 Total energy=-4.385390079007387 Egs=-0.8019831515427643 Kept: 574 out of 1857, ratio=0.309 Memory used: 67 MB Time elapsed: 3 s ***** [NRG] Iteration 63/67 (scale 5.6492029139205832e-10) ***** [1] xi(62)=5.649202913920583e-10 xi_scaled(62)=1 zeta(63)=0 Stats: nr=34 min=1 max=248 Emax=10.52606945161167 nrkept=498 nrkeptmult=1142 Total energy=-4.385390079912971 Egs=-1.603031206670831 Kept: 498 out of 2150, ratio=0.232 Memory used: 67 MB Time elapsed: 3 s ***** [NRG] Iteration 64/67 (scale 3.9945896887320485e-10) ***** [1] xi(63)=3.994589688732048e-10 xi_scaled(63)=1 zeta(64)=0 Stats: nr=33 min=1 max=246 Safeguard: keep additional 7 states Emax=10.8376342515059 nrkept=574 nrkeptmult=1336 Total energy=-4.385390080233331 Egs=-0.801983151542756 Kept: 574 out of 1857, ratio=0.309 Memory used: 67 MB Time elapsed: 3 s ***** [NRG] Iteration 65/67 (scale 2.8246014569602916e-10) ***** [1] xi(64)=2.824601456960292e-10 xi_scaled(64)=1 zeta(65)=0 Stats: nr=34 min=1 max=248 Emax=10.52606945161166 nrkept=498 nrkeptmult=1142 Total energy=-4.385390080686124 Egs=-1.603031206670832 Kept: 498 out of 2150, ratio=0.232 Memory used: 67 MB Time elapsed: 3 s ***** [NRG] Iteration 66/67 (scale 1.9972948443660242e-10) ***** [1] xi(65)=1.997294844366024e-10 xi_scaled(65)=1 zeta(66)=0 Stats: nr=33 min=1 max=246 Safeguard: keep additional 7 states Emax=10.83763425150591 nrkept=574 nrkeptmult=1336 Total energy=-4.385390080846303 Egs=-0.8019831515427528 Kept: 574 out of 1857, ratio=0.309 Memory used: 67 MB Time elapsed: 3 s ***** [NRG] Iteration 67/67 (scale 1.4123007284801458e-10) ***** [1] xi(66)=1.412300728480146e-10 xi_scaled(66)=1 zeta(67)=0 Stats: nr=34 min=1 max=248 Emax=10.52606945161163 nrkept=498 nrkeptmult=1142 Total energy=-4.385390081072699 Egs=-1.603031206670836 Kept: 498 out of 2150, ratio=0.232 Memory used: 67 MB Time elapsed: 3 s ** Iteration completed. Total energy: -4.385390081072699 TKW=0 Memory usage report =================== after diag: 69440 kB after recalc: 69440 kB after split: 69440 kB after trim: 69440 kB after trunc: 69440 kB diag_h: 69440 kB Peak usage: 69440 kB Timing report ============= All: 3 s diag: 3 s recalc f: 0 s Other: 0 s