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=3 strategy=kept lastall=0 lastalloverride=0 z=1 discretization=Z band=flat bandrescale=1 betabar=1 T=-999 keep=5000 keepenergy=8 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=n_d myn_d corrhop hop0 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=1 Nmax=42 subspaces=6 Reading <||||> (e) Reading <||n_d||> (s) Reading <||hop0||> (s) Reading <||myn_d||> (s) Reading <||corrhop||> (s) Reading <||||> (z) length_coef_table=42 Nmax=42 Number of invariant subspaces: 6 (-2 1) 1 states 0.04252317322870698 (-1 2) 2 states 0.01997272048633251 0.06041163783168935 (0 1) 3 states 0 0.0426182891565073 0.0804795276204008 (0 3) 1 states 0.03786118508931488 (1 2) 2 states 0.02005667386365402 0.06051796968454712 (2 1) 1 states 0.04271345845888624 Number of states (multiplicity taken into account): 16 Computing the following operators: s=[] p=[] g=[] d=[] v=[] t=[] q=[] ot=[] Computing the following spectra: Before NRG iteration (N=-1) =-0.02008345494843247 =-0.02008393224706193 =0.9999525450266502 =0.9999525450266502 ***** [NRG] Iteration 1/42 (scale 0.60682615108455829) ***** [1] xi(0)=0.5049098776218075 xi_scaled(0)=0.8320502943378436 zeta(1)=0 Stats: nr=10 min=1 max=8 Emax=3.339484467287608 nrkept=35 nrkeptmult=64 Total energy=-1.010693338498554 Egs=-1.599962686414801 Kept: 35 out of 35, ratio=1 =-0.03290589005019969 =-0.03290724360238417 =0.9999179589439735 =0.9999179589439735 Memory used: 46 MB Time elapsed: 0 s ***** [NRG] Iteration 2/42 (scale 0.35035124167997422) ***** [1] xi(1)=0.3180107495579472 xi_scaled(1)=0.9076912301867386 zeta(2)=0 Stats: nr=15 min=1 max=20 Emax=6.944956379103705 nrkept=126 nrkeptmult=256 Total energy=-1.214086996163544 Egs=-0.5805421344867899 Kept: 126 out of 126, ratio=1 =-0.05214679396806927 =-0.05215050399864158 =0.9998583758444443 =0.9998583758444443 Memory used: 46 MB Time elapsed: 0 s ***** [NRG] Iteration 3/42 (scale 0.20227538369485276) ***** [1] xi(2)=0.1952303729821326 xi_scaled(2)=0.9651711909574324 zeta(3)=0 Stats: nr=21 min=1 max=75 Safeguard: keep additional 1 states Emax=8.415930443988257 nrkept=264 nrkeptmult=594 Total energy=-1.539321476088469 Egs=-1.607879683548468 Kept: 264 out of 462, ratio=0.571 =-0.07502676913008878 =-0.07503598821207044 =0.9997561765409753 =0.9997561765409753 Memory used: 62 MB Time elapsed: 0 s ***** [NRG] Iteration 4/42 (scale 0.11678374722665809) ***** [1] xi(3)=0.1153712822944352 xi_scaled(3)=0.9879052953363318 zeta(4)=0 Stats: nr=28 min=1 max=116 Safeguard: keep additional 1 states Emax=8.596541525242188 nrkept=262 nrkeptmult=584 Total energy=-1.621545199947259 Egs=-0.7040682099299903 Kept: 262 out of 980, ratio=0.267 =-0.09807755082068291 =-0.09809839904768598 =0.9995818033365585 =0.9995818033365585 Memory used: 63 MB Time elapsed: 0 s ***** [NRG] Iteration 5/42 (scale 0.067425127898284254) ***** [1] xi(4)=0.06714955355924675 xi_scaled(4)=0.9959128837033393 zeta(5)=0 Stats: nr=29 min=1 max=139 Emax=8.423317329724853 nrkept=263 nrkeptmult=589 Total energy=-1.727605950455073 Egs=-1.573015192018836 Kept: 263 out of 974, ratio=0.27 =-0.1211552866330897 =-0.1211979505387976 =0.9992886950384305 =0.9992886950384305 Memory used: 63 MB Time elapsed: 0 s ***** [NRG] Iteration 6/42 (scale 0.038927915742219356) ***** [1] xi(5)=0.0388746385967851 xi_scaled(5)=0.9986313897258959 zeta(6)=0 Stats: nr=28 min=1 max=116 Emax=8.608573976726875 nrkept=261 nrkeptmult=580 Total energy=-1.757035338621202 Egs=-0.7559970166656409 Kept: 261 out of 976, ratio=0.267 =-0.1438920813405344 =-0.1439806138861726 =0.9988077033687389 =0.9988077033687389 Memory used: 63 MB Time elapsed: 0 s ***** [NRG] Iteration 7/42 (scale 0.022475042632761417) ***** [1] xi(6)=0.02246477380665278 xi_scaled(6)=0.9995431009285977 zeta(7)=0 Stats: nr=29 min=1 max=139 Emax=8.47380100401795 nrkept=263 nrkeptmult=589 Total energy=-1.791031682161663 Egs=-1.512626431724982 Kept: 263 out of 970, ratio=0.271 =-0.1663937763555016 =-0.1665628514243169 =0.9980464279944307 =0.9980464279944307 Memory used: 63 MB Time elapsed: 0 s ***** [NRG] Iteration 8/42 (scale 0.01297597191407312) ***** [1] xi(7)=0.01297399467338146 xi_scaled(7)=0.9998476229214467 zeta(8)=0 Stats: nr=28 min=1 max=116 Emax=8.649612105386662 nrkept=261 nrkeptmult=580 Total energy=-1.801403936952311 Egs=-0.7993431905782481 Kept: 261 out of 976, ratio=0.267 =-0.1878401861551523 =-0.1881509607723167 =0.9969457758557139 =0.9969457758557139 Memory used: 63 MB Time elapsed: 0 s ***** [NRG] Iteration 9/42 (scale 0.0074916808775871389) ***** [1] xi(8)=0.007491300292993914 xi_scaled(8)=0.9999491990383141 zeta(9)=0 Stats: nr=29 min=1 max=139 Emax=8.101447036762242 nrkept=227 nrkeptmult=513 Total energy=-1.812275043138809 Egs=-1.451090398020082 Kept: 227 out of 970, ratio=0.234 =-0.2075204675232006 =-0.2080437051915868 =0.9955941987576311 =0.9955941987576311 Memory used: 63 MB Time elapsed: 0 s ***** [NRG] Iteration 10/42 (scale 0.0043253239713577068) ***** [1] xi(9)=0.004325250723683901 xi_scaled(9)=0.9999830653901787 zeta(10)=0 Stats: nr=26 min=1 max=105 Emax=8.058770631050859 nrkept=199 nrkeptmult=441 Total energy=-1.815883513709503 Egs=-0.8342659635646671 Kept: 199 out of 851, ratio=0.234 =-0.2230812305579911 =-0.2238527502056803 =0.9945060727860484 =0.9945060727860484 Memory used: 63 MB Time elapsed: 0 s ***** [NRG] Iteration 11/42 (scale 0.0024972269591957133) ***** [1] xi(10)=0.002497212862409064 xi_scaled(10)=0.9999943550238407 zeta(11)=0 Stats: nr=27 min=1 max=112 Emax=8.000946235727216 nrkept=191 nrkeptmult=432 Total energy=-1.819370807244053 Egs=-1.396466397140339 Kept: 191 out of 741, ratio=0.258 =-0.2323085515117236 =-0.2332407824868094 =0.9945435633321985 =0.9945435633321985 Memory used: 63 MB Time elapsed: 0 s ***** [NRG] Iteration 12/42 (scale 0.0014417746571192356) ***** [1] xi(11)=0.001441771944174364 xi_scaled(11)=0.9999981183294779 zeta(12)=0 Stats: nr=26 min=1 max=88 Emax=8.240033814401494 nrkept=167 nrkeptmult=378 Total energy=-1.820622132535348 Egs=-0.867906288348218 Kept: 167 out of 712, ratio=0.235 =-0.2348796558414744 =-0.235778235044164 =0.9959194884835628 =0.9959194884835628 Memory used: 63 MB Time elapsed: 0 s ***** [NRG] Iteration 13/42 (scale 0.00083240898639857098) ***** [1] xi(12)=0.0008324084642909954 xi_scaled(12)=0.9999993727751813 zeta(13)=0 Stats: nr=27 min=1 max=91 Emax=8.00523960839887 nrkept=138 nrkeptmult=326 Total energy=-1.821736980468202 Egs=-1.33930309627999 Kept: 138 out of 622, ratio=0.222 =-0.2349477607588623 =-0.235735177881832 =0.9971309299602158 =0.9971309299602158 Memory used: 63 MB Time elapsed: 0 s ***** [NRG] Iteration 14/42 (scale 0.00048059155237307853) ***** [1] xi(13)=0.0004805914518933587 xi_scaled(13)=0.9999997909249146 zeta(14)=0 Stats: nr=26 min=1 max=64 Emax=8.017939891859255 nrkept=138 nrkeptmult=328 Total energy=-1.822176311280256 Egs=-0.9141459309568831 Kept: 138 out of 518, ratio=0.266 =-0.2351955910504289 =-0.235926301137 =0.9975821020136008 =0.9975821020136008 Memory used: 63 MB Time elapsed: 0 s ***** [NRG] Iteration 15/42 (scale 0.00027746966213285698) ***** [1] xi(14)=0.0002774696427955214 xi_scaled(14)=0.9999999303082888 zeta(15)=0 Stats: nr=27 min=1 max=73 Emax=8.117346369699407 nrkept=124 nrkeptmult=302 Total energy=-1.822527695332434 Egs=-1.266387285285278 Kept: 124 out of 518, ratio=0.239 =-0.2358374228799029 =-0.2365614967441187 =0.9976469935755474 =0.9976469935755474 Memory used: 63 MB Time elapsed: 0 s ***** [NRG] Iteration 16/42 (scale 0.00016019718412435953) ***** [1] xi(15)=0.0001601971804028872 xi_scaled(15)=0.9999999767694275 zeta(16)=0 Stats: nr=26 min=1 max=57 Emax=8.02104015935759 nrkept=124 nrkeptmult=295 Total energy=-1.822685070491362 Egs=-0.9823840524283716 Kept: 124 out of 468, ratio=0.265 =-0.2365093433355253 =-0.2372402873393714 =0.9976265187523083 =0.9976265187523083 Memory used: 63 MB Time elapsed: 0 s ***** [NRG] Iteration 17/42 (scale 9.2489887377619005e-05) ***** [1] xi(16)=9.248988666142132e-05 xi_scaled(16)=0.9999999922564757 zeta(17)=0 Stats: nr=27 min=1 max=66 Emax=8.017582563327117 nrkept=120 nrkeptmult=284 Total energy=-1.822793178556171 Egs=-1.168863622548199 Kept: 120 out of 465, ratio=0.258 =-0.2371600084467501 =-0.2379002110227552 =0.9975886934496141 =0.9975886934496141 Memory used: 63 MB Time elapsed: 0 s ***** [NRG] Iteration 18/42 (scale 5.33990613747865e-05) ***** [1] xi(17)=5.339906123695419e-05 xi_scaled(17)=0.9999999974188252 zeta(18)=0 Stats: nr=25 min=1 max=56 Emax=8.034699106440641 nrkept=120 nrkeptmult=278 Total energy=-1.822850961086122 Egs=-1.082088869416419 Kept: 120 out of 452, ratio=0.265 =-0.2377080788820276 =-0.2384573206320342 =0.9975501318449879 =0.9975501318449879 Memory used: 63 MB Time elapsed: 0 s ***** [NRG] Iteration 19/42 (scale 3.0829962459206333e-05) ***** [1] xi(18)=3.082996243268049e-05 xi_scaled(18)=0.9999999991396085 zeta(19)=0 Stats: nr=25 min=1 max=66 Emax=8.188421802338802 nrkept=120 nrkeptmult=281 Total energy=-1.822883085028469 Egs=-1.041971503852486 Kept: 120 out of 449, ratio=0.267 =-0.2381973414212487 =-0.2389550550721041 =0.9975134028886631 =0.9975134028886631 Memory used: 63 MB Time elapsed: 0 s ***** [NRG] Iteration 20/42 (scale 1.7799687124928835e-05) ***** [1] xi(19)=1.779968711982393e-05 xi_scaled(19)=0.9999999997132027 zeta(20)=0 Stats: nr=25 min=1 max=56 Emax=8.0090783832939 nrkept=112 nrkeptmult=246 Total energy=-1.822904851705719 Egs=-1.222868531171461 Kept: 112 out of 451, ratio=0.248 =-0.2386123404609386 =-0.2393773533387451 =0.9974815835486199 =0.9974815835486199 Memory used: 63 MB Time elapsed: 0 s ***** [NRG] Iteration 21/42 (scale 1.0276654153068778e-05) ***** [1] xi(20)=1.027665415208634e-05 xi_scaled(20)=0.999999999904401 zeta(21)=0 Stats: nr=21 min=1 max=66 Emax=8.033358308128655 nrkept=114 nrkeptmult=261 Total energy=-1.822914048729121 Egs=-0.8949433604825835 Kept: 114 out of 417, ratio=0.273 =-0.2389679809528668 =-0.2397392342927404 =0.9974542491151971 =0.9974542491151971 Memory used: 63 MB Time elapsed: 0 s ***** [NRG] Iteration 22/42 (scale 5.9332290416429446e-06) ***** [1] xi(21)=5.933229041453874e-06 xi_scaled(21)=0.9999999999681336 zeta(22)=0 Stats: nr=25 min=1 max=55 Emax=8.17067478625505 nrkept=102 nrkeptmult=216 Total energy=-1.822922341005132 Egs=-1.397599174519697 Kept: 102 out of 428, ratio=0.238 =-0.2392546439597948 =-0.2400309610170706 =0.9974320750729407 =0.9974320750729407 Memory used: 63 MB Time elapsed: 0 s ***** [NRG] Iteration 23/42 (scale 3.4255513843562592e-06) ***** [1] xi(22)=3.425551384319873e-06 xi_scaled(22)=0.9999999999893779 zeta(23)=0 Stats: nr=21 min=1 max=61 Emax=8.009881024868369 nrkept=104 nrkeptmult=236 Total energy=-1.822924959449365 Egs=-0.7643862080521914 Kept: 104 out of 377, ratio=0.276 =-0.23947204381792 =-0.2402522214481984 =0.9974151808624476 =0.9974151808624476 Memory used: 63 MB Time elapsed: 0 s ***** [NRG] Iteration 24/42 (scale 1.9777430138809818e-06) ***** [1] xi(23)=1.977743013873979e-06 xi_scaled(23)=0.9999999999964592 zeta(24)=0 Stats: nr=23 min=1 max=51 Emax=8.005147288240275 nrkept=91 nrkeptmult=196 Total energy=-1.822928040879703 Egs=-1.558053961421841 Kept: 91 out of 388, ratio=0.235 =-0.2396148754710732 =-0.2403975857696239 =0.997404091128382 =0.997404091128382 Memory used: 63 MB Time elapsed: 0 s ***** [NRG] Iteration 25/42 (scale 1.1418504614520865e-06) ***** [1] xi(24)=1.141850461450739e-06 xi_scaled(24)=0.9999999999988198 zeta(25)=0 Stats: nr=21 min=1 max=53 Emax=8.110667020457999 nrkept=96 nrkeptmult=215 Total energy=-1.822928822657484 Egs=-0.6846586372985726 Kept: 96 out of 337, ratio=0.285 =-0.2396959910799638 =-0.2404801356915092 =0.9973978059337059 =0.9973978059337059 Memory used: 63 MB Time elapsed: 0 s ***** [NRG] Iteration 26/42 (scale 6.592476712936605e-07) ***** [1] xi(25)=6.592476712934011e-07 xi_scaled(25)=0.9999999999996065 zeta(26)=0 Stats: nr=23 min=1 max=48 Emax=8.131449101715484 nrkept=81 nrkeptmult=169 Total energy=-1.82292991384481 Egs=-1.65520088170637 Kept: 81 out of 358, ratio=0.226 =-0.2397336389409208 =-0.240518448993026 =0.9973948895486847 =0.9973948895486847 Memory used: 63 MB Time elapsed: 0 s ***** [NRG] Iteration 27/42 (scale 3.8061682048402881e-07) ***** [1] xi(26)=3.806168204839789e-07 xi_scaled(26)=0.9999999999998689 zeta(27)=0 Stats: nr=21 min=1 max=48 Emax=8.00698407846483 nrkept=77 nrkeptmult=166 Total energy=-1.82293016088569 Egs=-0.6490540262395366 Kept: 77 out of 298, ratio=0.258 =-0.2397489701856091 =-0.2405340522316929 =0.9973936985352063 =0.9973936985352063 Memory used: 63 MB Time elapsed: 0 s ***** [NRG] Iteration 28/42 (scale 2.1974922376455349e-07) ***** [1] xi(27)=2.197492237645439e-07 xi_scaled(27)=0.9999999999999563 zeta(28)=0 Stats: nr=23 min=1 max=39 Emax=8.124449616683389 nrkept=73 nrkeptmult=150 Total energy=-1.822930533890214 Egs=-1.697409974728256 Kept: 73 out of 284, ratio=0.257 =-0.2397543669446776 =-0.2405395452489474 =0.9973932775679754 =0.9973932775679754 Memory used: 63 MB Time elapsed: 0 s ***** [NRG] Iteration 29/42 (scale 1.2687227349467628e-07) ***** [1] xi(28)=1.268722734946744e-07 xi_scaled(28)=0.9999999999999853 zeta(29)=0 Stats: nr=21 min=1 max=41 Emax=8.333449482116956 nrkept=72 nrkeptmult=148 Total energy=-1.822930614540439 Egs=-0.6356804569794631 Kept: 72 out of 266, ratio=0.271 =-0.2397562841327452 =-0.2405414961307321 =0.9973931296951444 =0.9973931296951444 Memory used: 63 MB Time elapsed: 0 s ***** [NRG] Iteration 30/42 (scale 7.3249741254851168e-08) ***** [1] xi(29)=7.324974125485081e-08 xi_scaled(29)=0.9999999999999951 zeta(30)=0 Stats: nr=21 min=1 max=37 Emax=8.299180831681939 nrkept=73 nrkeptmult=150 Total energy=-1.822930740012492 Egs=-1.712935105032766 Kept: 73 out of 264, ratio=0.277 =-0.239756901008533 =-0.2405421240980532 =0.9973930812802455 =0.9973930812802455 Memory used: 63 MB Time elapsed: 0 s ***** [NRG] Iteration 31/42 (scale 4.2290757831558757e-08) ***** [1] xi(30)=4.229075783155869e-08 xi_scaled(30)=0.9999999999999984 zeta(31)=0 Stats: nr=21 min=1 max=41 Emax=8.498396597602742 nrkept=72 nrkeptmult=149 Total energy=-1.822930766713015 Egs=-0.6313559735951905 Kept: 72 out of 266, ratio=0.271 =-0.2397571195396846 =-0.2405423465081458 =0.9973930642968917 =0.9973930642968917 Memory used: 63 MB Time elapsed: 0 s ***** [NRG] Iteration 32/42 (scale 2.4416580418283724e-08) ***** [1] xi(31)=2.441658041828371e-08 xi_scaled(31)=0.9999999999999994 zeta(32)=0 Stats: nr=22 min=1 max=37 Emax=8.361330044035817 nrkept=73 nrkeptmult=150 Total energy=-1.822930808653722 Egs=-1.717714219719531 Kept: 73 out of 264, ratio=0.277 =-0.2397571883937177 =-0.2405424165190981 =0.9973930591635719 =0.9973930591635719 Memory used: 63 MB Time elapsed: 0 s ***** [NRG] Iteration 33/42 (scale 1.4096919277186252e-08) ***** [1] xi(32)=1.409691927718625e-08 xi_scaled(32)=0.9999999999999998 zeta(33)=0 Stats: nr=21 min=1 max=41 Emax=8.554001581928627 nrkept=72 nrkeptmult=149 Total energy=-1.822930817548032 Egs=-0.6309399541579868 Kept: 72 out of 266, ratio=0.271 =-0.2397572127183653 =-0.2405424412747021 =0.9973930572758536 =0.9973930572758536 Memory used: 63 MB Time elapsed: 0 s ***** [NRG] Iteration 34/42 (scale 8.1388601394279074e-09) ***** [1] xi(33)=8.138860139427907e-09 xi_scaled(33)=1 zeta(34)=0 Stats: nr=22 min=1 max=37 Emax=8.382483455360337 nrkept=73 nrkeptmult=150 Total energy=-1.822930831526608 Egs=-1.717510356417594 Kept: 73 out of 264, ratio=0.277 =-0.2397572203582756 =-0.2405424490300321 =0.9973930567494904 =0.9973930567494904 Memory used: 63 MB Time elapsed: 0 s ***** [NRG] Iteration 35/42 (scale 4.6989730923954177e-09) ***** [1] xi(34)=4.698973092395417e-09 xi_scaled(34)=0.9999999999999998 zeta(35)=0 Stats: nr=21 min=1 max=41 Emax=8.572802540020637 nrkept=72 nrkeptmult=149 Total energy=-1.822930834490721 Egs=-0.6308000605570036 Kept: 72 out of 266, ratio=0.271 =-0.2397572230571999 =-0.2405424517765146 =0.9973930565409023 =0.9973930565409023 Memory used: 63 MB Time elapsed: 0 s ***** [NRG] Iteration 36/42 (scale 2.7129533798093026e-09) ***** [1] xi(35)=2.712953379809303e-09 xi_scaled(35)=1 zeta(36)=0 Stats: nr=22 min=1 max=37 Emax=8.383913627407361 nrkept=73 nrkeptmult=148 Total energy=-1.822930839150061 Egs=-1.717442122060572 Kept: 73 out of 264, ratio=0.277 =-0.2397572239042458 =-0.2405424526366435 =0.9973930564815895 =0.9973930564815895 Memory used: 63 MB Time elapsed: 0 s ***** [NRG] Iteration 37/42 (scale 1.5663243641318058e-09) ***** [1] xi(36)=1.566324364131806e-09 xi_scaled(36)=1 zeta(37)=0 Stats: nr=21 min=1 max=41 Emax=8.574163483289324 nrkept=72 nrkeptmult=146 Total energy=-1.822930840138026 Egs=-0.630753283019882 Kept: 72 out of 266, ratio=0.271 =-0.2397572242080402 =-0.2405424529404204 =0.9973930564760347 =0.9973930564760347 Memory used: 63 MB Time elapsed: 0 s ***** [NRG] Iteration 38/42 (scale 9.0431779326976753e-10) ***** [1] xi(37)=9.043177932697675e-10 xi_scaled(37)=1 zeta(38)=0 Stats: nr=22 min=1 max=37 Emax=8.384298490150631 nrkept=73 nrkeptmult=148 Total energy=-1.822930841691119 Egs=-1.71741936161466 Kept: 73 out of 264, ratio=0.277 =-0.2397572243013544 =-0.2405424530354585 =0.9973930564685553 =0.9973930564685553 Memory used: 63 MB Time elapsed: 0 s ***** [NRG] Iteration 39/42 (scale 5.2210812137726861e-10) ***** [1] xi(38)=5.221081213772686e-10 xi_scaled(38)=1 zeta(39)=0 Stats: nr=21 min=1 max=41 Emax=8.574595309960213 nrkept=72 nrkeptmult=146 Total energy=-1.822930842020432 Egs=-0.6307376659938805 Kept: 72 out of 266, ratio=0.271 =-0.2397572243361608 =-0.2405424530690839 =0.9973930564718547 =0.9973930564718547 Memory used: 63 MB Time elapsed: 0 s ***** [NRG] Iteration 40/42 (scale 3.0143926442325579e-10) ***** [1] xi(39)=3.014392644232558e-10 xi_scaled(39)=1 zeta(40)=0 Stats: nr=22 min=1 max=37 Emax=8.384444284552302 nrkept=73 nrkeptmult=148 Total energy=-1.822930842538127 Egs=-1.717411787346135 Kept: 73 out of 264, ratio=0.277 =-0.2397572243464904 =-0.2405424530796194 =0.9973930564709772 =0.9973930564709772 Memory used: 63 MB Time elapsed: 0 s ***** [NRG] Iteration 41/42 (scale 1.7403604045908955e-10) ***** [1] xi(40)=1.740360404590895e-10 xi_scaled(40)=0.9999999999999999 zeta(41)=0 Stats: nr=21 min=1 max=41 Emax=8.574741135635216 nrkept=72 nrkeptmult=146 Total energy=-1.822930842647897 Egs=-0.6307324495605617 Kept: 72 out of 266, ratio=0.271 =-0.2397572243507242 =-0.2405424530833301 =0.9973930564726452 =0.9973930564726452 Memory used: 63 MB Time elapsed: 0 s ***** [NRG] Iteration 42/42 (scale 1.0047975480775194e-10) ***** [1] xi(41)=1.004797548077519e-10 xi_scaled(41)=1 zeta(42)=0 Stats: nr=22 min=1 max=37 Emax=8.384492930193947 nrkept=73 nrkeptmult=148 Total energy=-1.822930842820462 Egs=-1.717409277904612 Kept: 73 out of 264, ratio=0.277 =-0.2397572243518645 =-0.2405424530844981 =0.9973930564725312 =0.9973930564725312 Memory used: 63 MB Time elapsed: 0 s ** Iteration completed. Total energy: -1.822930842820462 TKW=3.151362358177607e-06 Memory usage report =================== after diag: 65452 kB after recalc: 65452 kB after split: 65452 kB after trim: 65452 kB after trunc: 65452 kB diag_h: 65452 kB Peak usage: 65452 kB Timing report ============= All: 0 s diag: 0 s recalc f: 0 s recalc s: 0 s Other: 0 s