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=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=100 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=66 subspaces=4 Reading <||||> (e) Reading <||||> (z) length_coef_table=66 Nmax=66 Number of invariant subspaces: 4 (-1 2) 1 states 0.1470387215202821 (0 1) 1 states 0 (0 3) 1 states 0.1960516286937095 (1 2) 1 states 0.1470387215202821 Number of states (multiplicity taken into account): 8 Computing the following operators: s=[] p=[] g=[] d=[] v=[] t=[] q=[] ot=[] Computing the following spectra: Before NRG iteration (N=-1) ***** [NRG] Iteration 1/66 (scale 0.72134752044448169) ***** [1] xi(0)=0.5452874708426226 xi_scaled(0)=0.7559289460184545 zeta(1)=0 Stats: nr=8 min=1 max=4 Emax=3.033314181875486 nrkept=15 nrkeptmult=32 Total energy=-1.094352759815703 Egs=-1.309150905840516 Kept: 15 out of 15, ratio=1 Memory used: 43 MB Time elapsed: 0 s ***** [NRG] Iteration 2/66 (scale 0.51006972329839473) ***** [1] xi(1)=0.4155094682917544 xi_scaled(1)=0.8146130799625568 zeta(2)=0 Stats: nr=13 min=1 max=9 Emax=5.540799429450456 nrkept=56 nrkeptmult=128 Total energy=-1.434928402021808 Egs=-0.6677040934791297 Kept: 56 out of 56, ratio=1 Memory used: 43 MB Time elapsed: 0 s ***** [NRG] Iteration 3/66 (scale 0.36067376022224085) ***** [1] xi(2)=0.3218991776760922 xi_scaled(2)=0.8924940297229927 zeta(3)=0 Stats: nr=19 min=1 max=35 Safeguard: keep additional 2 states Emax=8.018048977512777 nrkept=187 nrkeptmult=456 Total energy=-1.92821069776285 Egs=-1.36766893005216 Kept: 187 out of 210, ratio=0.89 Memory used: 51 MB Time elapsed: 0 s ***** [NRG] Iteration 4/66 (scale 0.25503486164919736) ***** [1] xi(3)=0.2402694094581714 xi_scaled(3)=0.942104180991005 zeta(4)=0 Stats: nr=26 min=1 max=86 Safeguard: keep additional 1 states Emax=8.027043640287843 nrkept=332 nrkeptmult=852 Total energy=-2.145167138991817 Egs=-0.8506932731706041 Kept: 332 out of 706, ratio=0.47 Memory used: 64 MB Time elapsed: 0 s ***** [NRG] Iteration 5/66 (scale 0.18033688011112042) ***** [1] xi(4)=0.1749149187687819 xi_scaled(4)=0.9699342622596243 zeta(5)=0 Stats: nr=31 min=2 max=156 Safeguard: keep additional 2 states Emax=8.003057970614755 nrkept=402 nrkeptmult=1006 Total energy=-2.400664546604812 Egs=-1.416778461818575 Kept: 402 out of 1258, ratio=0.32 Memory used: 65 MB Time elapsed: 0 s ***** [NRG] Iteration 6/66 (scale 0.12751743082459868) ***** [1] xi(5)=0.1255632919492426 xi_scaled(5)=0.9846755156317096 zeta(6)=0 Stats: nr=34 min=1 max=169 Emax=8.007360654128025 nrkept=398 nrkeptmult=1016 Total energy=-2.516801445108974 Egs=-0.9107531241270813 Kept: 398 out of 1514, ratio=0.263 Memory used: 65 MB Time elapsed: 0 s ***** [NRG] Iteration 7/66 (scale 0.090168440055560212) ***** [1] xi(6)=0.08947082529362729 xi_scaled(6)=0.9922632047143872 zeta(7)=0 Stats: nr=31 min=2 max=188 Safeguard: keep additional 3 states Emax=8.001779281838891 nrkept=411 nrkeptmult=1030 Total energy=-2.645027577835285 Egs=-1.422073317973565 Kept: 411 out of 1506, ratio=0.273 Memory used: 66 MB Time elapsed: 0 s ***** [NRG] Iteration 8/66 (scale 0.063758715412299341) ***** [1] xi(7)=0.06351086930807648 xi_scaled(7)=0.9961127494081373 zeta(8)=0 Stats: nr=34 min=1 max=174 Safeguard: keep additional 1 states Emax=8.048185915158545 nrkept=400 nrkeptmult=1024 Total energy=-2.704632362045884 Egs=-0.9348492017940044 Kept: 400 out of 1548, ratio=0.258 Memory used: 66 MB Time elapsed: 0 s ***** [NRG] Iteration 9/66 (scale 0.045084220027780106) ***** [1] xi(8)=0.04499637947017967 xi_scaled(8)=0.9980516340851342 zeta(9)=0 Stats: nr=31 min=2 max=188 Safeguard: keep additional 1 states Emax=8.001041341516308 nrkept=413 nrkeptmult=1036 Total energy=-2.768299248419881 Egs=-1.412176729125328 Kept: 413 out of 1514, ratio=0.273 Memory used: 66 MB Time elapsed: 0 s ***** [NRG] Iteration 10/66 (scale 0.031879357706149671) ***** [1] xi(9)=0.03184826348698654 xi_scaled(9)=0.9990246284304175 zeta(10)=0 Stats: nr=34 min=1 max=176 Safeguard: keep additional 1 states Emax=8.034549622494735 nrkept=400 nrkeptmult=1024 Total energy=-2.79861397029587 Egs=-0.9509200955495098 Kept: 400 out of 1556, ratio=0.257 Memory used: 66 MB Time elapsed: 0 s ***** [NRG] Iteration 11/66 (scale 0.022542110013890053) ***** [1] xi(10)=0.02253110983902919 xi_scaled(10)=0.9995120166278095 zeta(11)=0 Stats: nr=31 min=2 max=188 Safeguard: keep additional 3 states Emax=8.001804787425392 nrkept=411 nrkeptmult=1030 Total energy=-2.830091635708684 Egs=-1.396393922016091 Kept: 411 out of 1514, ratio=0.271 Memory used: 66 MB Time elapsed: 0 s ***** [NRG] Iteration 12/66 (scale 0.015939678853074835) ***** [1] xi(11)=0.01593578851722613 xi_scaled(11)=0.9997559338626226 zeta(12)=0 Stats: nr=34 min=1 max=174 Safeguard: keep additional 1 states Emax=8.024132100106762 nrkept=400 nrkeptmult=1024 Total energy=-2.845502158225157 Egs=-0.9668025722801943 Kept: 400 out of 1548, ratio=0.258 Memory used: 66 MB Time elapsed: 0 s ***** [NRG] Iteration 13/66 (scale 0.011271055006945026) ***** [1] xi(12)=0.01126967935565226 xi_scaled(12)=0.9998779483116782 zeta(13)=0 Stats: nr=31 min=2 max=188 Safeguard: keep additional 1 states Emax=8.000486232085473 nrkept=406 nrkeptmult=1014 Total energy=-2.861019845736544 Egs=-1.376773292458013 Kept: 406 out of 1514, ratio=0.268 Memory used: 66 MB Time elapsed: 0 s ***** [NRG] Iteration 14/66 (scale 0.0079698394265374176) ***** [1] xi(13)=0.007969353023252924 xi_scaled(13)=0.9999389695000788 zeta(14)=0 Stats: nr=34 min=1 max=171 Safeguard: keep additional 1 states Emax=8.015812957077809 nrkept=400 nrkeptmult=1024 Total energy=-2.868870047654092 Egs=-0.9849887177661748 Kept: 400 out of 1528, ratio=0.262 Memory used: 66 MB Time elapsed: 0 s ***** [NRG] Iteration 15/66 (scale 0.0056355275034725132) ***** [1] xi(14)=0.005635355527382068 xi_scaled(14)=0.9999694835859927 zeta(15)=0 Stats: nr=31 min=2 max=188 Safeguard: keep additional 1 states Emax=8.006249157776672 nrkept=403 nrkeptmult=1002 Total energy=-2.876496364423886 Egs=-1.353256951562221 Kept: 403 out of 1514, ratio=0.266 Memory used: 66 MB Time elapsed: 0 s ***** [NRG] Iteration 16/66 (scale 0.0039849197132687088) ***** [1] xi(15)=0.00398485890937912 xi_scaled(15)=0.9999847415019714 zeta(16)=0 Stats: nr=34 min=1 max=170 Safeguard: keep additional 1 states Emax=8.010356987467137 nrkept=400 nrkeptmult=1024 Total energy=-2.880508261394961 Egs=-1.006769837223225 Kept: 400 out of 1516, ratio=0.264 Memory used: 66 MB Time elapsed: 0 s ***** [NRG] Iteration 17/66 (scale 0.0028177637517362566) ***** [1] xi(16)=0.002817742254109917 xi_scaled(16)=0.9999923706782278 zeta(17)=0 Stats: nr=31 min=2 max=188 Safeguard: keep additional 2 states Emax=8.012308571021462 nrkept=404 nrkeptmult=1002 Total energy=-2.884242053775769 Egs=-1.325090642715403 Kept: 404 out of 1514, ratio=0.267 Memory used: 66 MB Time elapsed: 0 s ***** [NRG] Iteration 18/66 (scale 0.0019924598566343544) ***** [1] xi(17)=0.00199245225603943 xi_scaled(17)=0.9999961853209243 zeta(18)=0 Stats: nr=34 min=1 max=169 Emax=8.002234223449053 nrkept=398 nrkeptmult=1016 Total energy=-2.886300963408991 Egs=-1.033350622531352 Kept: 398 out of 1520, ratio=0.262 Memory used: 66 MB Time elapsed: 0 s ***** [NRG] Iteration 19/66 (scale 0.0014088818758681283) ***** [1] xi(18)=0.001408879188645615 xi_scaled(18)=0.9999980926559147 zeta(19)=0 Stats: nr=31 min=2 max=188 Safeguard: keep additional 1 states Emax=8.02313585784448 nrkept=406 nrkeptmult=1008 Total energy=-2.88812006967031 Egs=-1.291170177200232 Kept: 406 out of 1506, ratio=0.27 Memory used: 66 MB Time elapsed: 0 s ***** [NRG] Iteration 20/66 (scale 0.0009962299283171772) ***** [1] xi(19)=0.000996228978239414 xi_scaled(19)=0.9999990463268206 zeta(20)=0 Stats: nr=34 min=1 max=171 Safeguard: keep additional 4 states Emax=8.002997070588693 nrkept=402 nrkeptmult=1020 Total energy=-2.889182227575623 Egs=-1.066177470804592 Kept: 402 out of 1528, ratio=0.263 Memory used: 66 MB Time elapsed: 0 s ***** [NRG] Iteration 21/66 (scale 0.00070444093793406415) ***** [1] xi(20)=0.0007044406020306494 xi_scaled(20)=0.999999523163126 zeta(21)=0 Stats: nr=31 min=2 max=188 Safeguard: keep additional 1 states Emax=8.034933465810402 nrkept=406 nrkeptmult=1008 Total energy=-2.890062892562009 Egs=-1.250161566374213 Kept: 406 out of 1518, ratio=0.267 Memory used: 66 MB Time elapsed: 0 s ***** [NRG] Iteration 22/66 (scale 0.0004981149641585886) ***** [1] xi(21)=0.000498114845398762 xi_scaled(21)=0.9999997615814918 zeta(22)=0 Stats: nr=34 min=1 max=171 Safeguard: keep additional 3 states Emax=8.014937512678333 nrkept=406 nrkeptmult=1028 Total energy=-2.890614317693413 Egs=-1.107023821971317 Kept: 406 out of 1528, ratio=0.266 Memory used: 66 MB Time elapsed: 0 s ***** [NRG] Iteration 23/66 (scale 0.00035222046896703208) ***** [1] xi(22)=0.0003522204269790865 xi_scaled(22)=0.9999998807907282 zeta(23)=0 Stats: nr=31 min=2 max=190 Safeguard: keep additional 1 states Emax=8.047265433258639 nrkept=407 nrkeptmult=1010 Total energy=-2.891037230592084 Egs=-1.200705058146613 Kept: 407 out of 1534, ratio=0.265 Memory used: 66 MB Time elapsed: 0 s ***** [NRG] Iteration 24/66 (scale 0.0002490574820792943) ***** [1] xi(23)=0.0002490574672343127 xi_scaled(23)=0.9999999403953597 zeta(24)=0 Stats: nr=34 min=1 max=172 Safeguard: keep additional 1 states Emax=8.024137486132535 nrkept=404 nrkeptmult=1024 Total energy=-2.891325602794117 Egs=-1.15785400071365 Kept: 404 out of 1532, ratio=0.264 Memory used: 66 MB Time elapsed: 0 s ***** [NRG] Iteration 25/66 (scale 0.00017611023448351604) ***** [1] xi(24)=0.0001761102292350223 xi_scaled(24)=0.9999999701976788 zeta(25)=0 Stats: nr=31 min=2 max=190 Safeguard: keep additional 1 states Emax=8.05193088174809 nrkept=407 nrkeptmult=1010 Total energy=-2.891526715164053 Egs=-1.141968668232207 Kept: 407 out of 1526, ratio=0.267 Memory used: 67 MB Time elapsed: 0 s ***** [NRG] Iteration 26/66 (scale 0.00012452874103964715) ***** [1] xi(25)=0.0001245287391840243 xi_scaled(25)=0.9999999850988391 zeta(26)=0 Stats: nr=34 min=1 max=172 Safeguard: keep additional 1 states Emax=8.009258466507262 nrkept=395 nrkeptmult=1003 Total energy=-2.891678666535899 Egs=-1.220211258684685 Kept: 395 out of 1532, ratio=0.258 Memory used: 67 MB Time elapsed: 0 s ***** [NRG] Iteration 27/66 (scale 8.8055117241758019e-05) ***** [1] xi(26)=8.805511658569628e-05 xi_scaled(26)=0.9999999925494195 zeta(27)=0 Stats: nr=31 min=1 max=187 Emax=8.004788397563042 nrkept=399 nrkeptmult=978 Total energy=-2.89177331388928 Egs=-1.07486488401293 Kept: 399 out of 1495, ratio=0.267 Memory used: 67 MB Time elapsed: 0 s ***** [NRG] Iteration 28/66 (scale 6.2264370519823575e-05) ***** [1] xi(27)=6.226437028787072e-05 xi_scaled(27)=0.9999999962747097 zeta(28)=0 Stats: nr=32 min=1 max=170 Emax=8.017341453633193 nrkept=380 nrkeptmult=940 Total energy=-2.89185386416111 Egs=-1.293681621737139 Kept: 380 out of 1502, ratio=0.253 Memory used: 67 MB Time elapsed: 0 s ***** [NRG] Iteration 29/66 (scale 4.402755862087901e-05) ***** [1] xi(28)=4.402755853887129e-05 xi_scaled(28)=0.9999999981373549 zeta(29)=0 Stats: nr=31 min=1 max=185 Safeguard: keep additional 4 states Emax=8.01794536475238 nrkept=398 nrkeptmult=976 Total energy=-2.891898060681832 Egs=-1.003837644096828 Kept: 398 out of 1435, ratio=0.277 Memory used: 67 MB Time elapsed: 0 s ***** [NRG] Iteration 30/66 (scale 3.1132185259911788e-05) ***** [1] xi(29)=3.113218523091768e-05 xi_scaled(29)=0.9999999990686774 zeta(30)=0 Stats: nr=32 min=1 max=169 Safeguard: keep additional 1 states Emax=8.053669719733431 nrkept=368 nrkeptmult=892 Total energy=-2.891940818796743 Egs=-1.373437635486741 Kept: 368 out of 1498, ratio=0.246 Memory used: 67 MB Time elapsed: 0 s ***** [NRG] Iteration 31/66 (scale 2.2013779310439505e-05) ***** [1] xi(30)=2.201377930018854e-05 xi_scaled(30)=0.9999999995343387 zeta(31)=0 Stats: nr=31 min=1 max=183 Safeguard: keep additional 1 states Emax=8.030036776516722 nrkept=381 nrkeptmult=910 Total energy=-2.891961454667487 Egs=-0.9374069964441784 Kept: 381 out of 1387, ratio=0.275 Memory used: 67 MB Time elapsed: 0 s ***** [NRG] Iteration 32/66 (scale 1.5566092629955894e-05) ***** [1] xi(31)=1.556609262633163e-05 xi_scaled(31)=0.9999999997671692 zeta(32)=0 Stats: nr=30 min=1 max=166 Safeguard: keep additional 1 states Emax=8.005451731350103 nrkept=337 nrkeptmult=791 Total energy=-2.891984013113194 Egs=-1.449204128759202 Kept: 337 out of 1430, ratio=0.236 Memory used: 67 MB Time elapsed: 0 s ***** [NRG] Iteration 33/66 (scale 1.1006889655219752e-05) ***** [1] xi(32)=1.100688965393838e-05 xi_scaled(32)=0.9999999998835847 zeta(33)=0 Stats: nr=31 min=1 max=175 Safeguard: keep additional 2 states Emax=8.016990969434795 nrkept=353 nrkeptmult=830 Total energy=-2.891993748127483 Egs=-0.884447341008549 Kept: 353 out of 1266, ratio=0.279 Memory used: 67 MB Time elapsed: 1 s ***** [NRG] Iteration 34/66 (scale 7.7830463149779469e-06) ***** [1] xi(33)=7.783046314524915e-06 xi_scaled(33)=0.9999999999417925 zeta(34)=0 Stats: nr=26 min=1 max=158 Safeguard: keep additional 2 states Emax=8.063329677332856 nrkept=315 nrkeptmult=729 Total energy=-2.892005499397803 Egs=-1.50985486208906 Kept: 315 out of 1326, ratio=0.238 Memory used: 67 MB Time elapsed: 1 s ***** [NRG] Iteration 35/66 (scale 5.5034448276098762e-06) ***** [1] xi(34)=5.503444827449705e-06 xi_scaled(34)=0.9999999999708962 zeta(35)=0 Stats: nr=31 min=1 max=165 Safeguard: keep additional 2 states Emax=8.028456757330718 nrkept=344 nrkeptmult=798 Total energy=-2.892010168736435 Egs=-0.8484392555082958 Kept: 344 out of 1178, ratio=0.292 Memory used: 67 MB Time elapsed: 1 s ***** [NRG] Iteration 36/66 (scale 3.8915231574889735e-06) ***** [1] xi(35)=3.891523157432344e-06 xi_scaled(35)=0.9999999999854481 zeta(36)=0 Stats: nr=26 min=1 max=155 Emax=8.011734555284384 nrkept=282 nrkeptmult=648 Total energy=-2.892016204056012 Egs=-1.550888773566771 Kept: 282 out of 1290, ratio=0.219 Memory used: 67 MB Time elapsed: 1 s ***** [NRG] Iteration 37/66 (scale 2.7517224138049381e-06) ***** [1] xi(36)=2.751722413784917e-06 xi_scaled(36)=0.999999999992724 zeta(37)=0 Stats: nr=29 min=1 max=147 Safeguard: keep additional 1 states Emax=8.004777236113311 nrkept=313 nrkeptmult=728 Total energy=-2.892018479238549 Egs=-0.8268212391813125 Kept: 313 out of 1054, ratio=0.297 Memory used: 67 MB Time elapsed: 1 s ***** [NRG] Iteration 38/66 (scale 1.9457615787444867e-06) ***** [1] xi(37)=1.945761578737408e-06 xi_scaled(37)=0.999999999996362 zeta(38)=0 Stats: nr=26 min=1 max=140 Emax=8.084086265953491 nrkept=263 nrkeptmult=593 Total energy=-2.892021544417168 Egs=-1.575310486549825 Kept: 263 out of 1172, ratio=0.224 Memory used: 67 MB Time elapsed: 1 s ***** [NRG] Iteration 39/66 (scale 1.3758612069024691e-06) ***** [1] xi(38)=1.375861206899966e-06 xi_scaled(38)=0.9999999999981811 zeta(39)=0 Stats: nr=29 min=1 max=139 Safeguard: keep additional 2 states Emax=8.005383940866661 nrkept=269 nrkeptmult=626 Total energy=-2.892022665545651 Egs=-0.8148557992385469 Kept: 269 out of 982, ratio=0.274 Memory used: 67 MB Time elapsed: 1 s ***** [NRG] Iteration 40/66 (scale 9.7288078937224336e-07) ***** [1] xi(39)=9.728807893713586e-07 xi_scaled(39)=0.9999999999990906 zeta(40)=0 Stats: nr=26 min=1 max=122 Emax=8.169323089772911 nrkept=258 nrkeptmult=578 Total energy=-2.892024211180516 Egs=-1.588719688942458 Kept: 258 out of 1008, ratio=0.256 Memory used: 67 MB Time elapsed: 1 s ***** [NRG] Iteration 41/66 (scale 6.8793060345123453e-07) ***** [1] xi(40)=6.879306034509217e-07 xi_scaled(40)=0.9999999999995453 zeta(41)=0 Stats: nr=29 min=1 max=137 Safeguard: keep additional 1 states Emax=8.017767524296449 nrkept=239 nrkeptmult=534 Total energy=-2.892024767400302 Egs=-0.8085405452452775 Kept: 239 out of 963, ratio=0.248 Memory used: 67 MB Time elapsed: 1 s ***** [NRG] Iteration 42/66 (scale 4.8644039468612168e-07) ***** [1] xi(41)=4.86440394686011e-07 xi_scaled(41)=0.9999999999997725 zeta(42)=0 Stats: nr=25 min=2 max=111 Emax=8.399731292136424 nrkept=258 nrkeptmult=578 Total energy=-2.892025543641153 Egs=-1.595757382621515 Kept: 258 out of 890, ratio=0.29 Memory used: 67 MB Time elapsed: 1 s ***** [NRG] Iteration 43/66 (scale 3.4396530172561726e-07) ***** [1] xi(42)=3.439653017255781e-07 xi_scaled(42)=0.9999999999998863 zeta(43)=0 Stats: nr=29 min=1 max=137 Emax=8.120003228842259 nrkept=237 nrkeptmult=524 Total energy=-2.892025820634062 Egs=-0.8052931719941852 Kept: 237 out of 963, ratio=0.246 Memory used: 67 MB Time elapsed: 1 s ***** [NRG] Iteration 44/66 (scale 2.4322019734306084e-07) ***** [1] xi(43)=2.43220197343047e-07 xi_scaled(43)=0.9999999999999432 zeta(44)=0 Stats: nr=25 min=2 max=111 Safeguard: keep additional 1 states Emax=8.520871086627306 nrkept=259 nrkeptmult=579 Total energy=-2.892026209631712 Egs=-1.599364090427906 Kept: 259 out of 882, ratio=0.294 Memory used: 67 MB Time elapsed: 1 s ***** [NRG] Iteration 45/66 (scale 1.7198265086280863e-07) ***** [1] xi(44)=1.719826508628037e-07 xi_scaled(44)=0.9999999999999716 zeta(45)=0 Stats: nr=29 min=1 max=138 Emax=8.184397007830482 nrkept=237 nrkeptmult=524 Total energy=-2.892026347844896 Egs=-0.8036460861161863 Kept: 237 out of 967, ratio=0.245 Memory used: 67 MB Time elapsed: 1 s ***** [NRG] Iteration 46/66 (scale 1.2161009867153042e-07) ***** [1] xi(45)=1.216100986715287e-07 xi_scaled(45)=0.9999999999999859 zeta(46)=0 Stats: nr=25 min=2 max=111 Safeguard: keep additional 1 states Emax=8.535789246535909 nrkept=259 nrkeptmult=579 Total energy=-2.892026542565775 Egs=-1.601190044133093 Kept: 259 out of 882, ratio=0.294 Memory used: 67 MB Time elapsed: 1 s ***** [NRG] Iteration 47/66 (scale 8.5991325431404316e-08) ***** [1] xi(46)=8.599132543140371e-08 xi_scaled(46)=0.9999999999999929 zeta(47)=0 Stats: nr=29 min=1 max=138 Safeguard: keep additional 1 states Emax=8.000613622512518 nrkept=231 nrkeptmult=512 Total energy=-2.892026611601038 Egs=-0.802816587245394 Kept: 231 out of 967, ratio=0.239 Memory used: 67 MB Time elapsed: 1 s ***** [NRG] Iteration 48/66 (scale 6.080504933576521e-08) ***** [1] xi(47)=6.0805049335765e-08 xi_scaled(47)=0.9999999999999966 zeta(48)=0 Stats: nr=25 min=2 max=108 Safeguard: keep additional 2 states Emax=8.002823414824606 nrkept=257 nrkeptmult=575 Total energy=-2.892026709017338 Egs=-1.602108731526736 Kept: 257 out of 860, ratio=0.299 Memory used: 67 MB Time elapsed: 1 s ***** [NRG] Iteration 49/66 (scale 4.2995662715702158e-08) ***** [1] xi(48)=4.299566271570209e-08 xi_scaled(48)=0.9999999999999983 zeta(49)=0 Stats: nr=29 min=1 max=136 Safeguard: keep additional 1 states Emax=8.006323104309313 nrkept=230 nrkeptmult=510 Total energy=-2.892026743517072 Egs=-0.8024003334117177 Kept: 230 out of 959, ratio=0.24 Memory used: 67 MB Time elapsed: 1 s ***** [NRG] Iteration 50/66 (scale 3.0402524667882605e-08) ***** [1] xi(49)=3.040252466788258e-08 xi_scaled(49)=0.9999999999999991 zeta(50)=0 Stats: nr=25 min=2 max=107 Safeguard: keep additional 1 states Emax=8.001427402197319 nrkept=253 nrkeptmult=569 Total energy=-2.892026792239232 Egs=-1.602569511875588 Kept: 253 out of 856, ratio=0.296 Memory used: 67 MB Time elapsed: 1 s ***** [NRG] Iteration 51/66 (scale 2.1497831357851079e-08) ***** [1] xi(50)=2.149783135785107e-08 xi_scaled(50)=0.9999999999999996 zeta(51)=0 Stats: nr=29 min=1 max=134 Safeguard: keep additional 1 states Emax=8.009089951338991 nrkept=230 nrkeptmult=510 Total energy=-2.892026809484616 Egs=-0.8021918229750479 Kept: 230 out of 946, ratio=0.243 Memory used: 67 MB Time elapsed: 1 s ***** [NRG] Iteration 52/66 (scale 1.5201262333941303e-08) ***** [1] xi(51)=1.52012623339413e-08 xi_scaled(51)=0.9999999999999998 zeta(52)=0 Stats: nr=25 min=2 max=107 Emax=8.006803861009328 nrkept=252 nrkeptmult=568 Total energy=-2.892026833849203 Egs=-1.602800261043734 Kept: 252 out of 856, ratio=0.294 Memory used: 67 MB Time elapsed: 1 s ***** [NRG] Iteration 53/66 (scale 1.0748915678925539e-08) ***** [1] xi(52)=1.074891567892554e-08 xi_scaled(52)=0.9999999999999999 zeta(53)=0 Stats: nr=29 min=1 max=133 Safeguard: keep additional 1 states Emax=8.010467855219918 nrkept=230 nrkeptmult=510 Total energy=-2.892026842470774 Egs=-0.8020874388503811 Kept: 230 out of 942, ratio=0.244 Memory used: 67 MB Time elapsed: 1 s ***** [NRG] Iteration 54/66 (scale 7.6006311669706513e-09) ***** [1] xi(53)=7.600631166970651e-09 xi_scaled(53)=1 zeta(54)=0 Stats: nr=25 min=2 max=107 Emax=8.008937947014074 nrkept=252 nrkeptmult=568 Total energy=-2.892026854653944 Egs=-1.602915700263527 Kept: 252 out of 856, ratio=0.294 Memory used: 67 MB Time elapsed: 1 s ***** [NRG] Iteration 55/66 (scale 5.3744578394627697e-09) ***** [1] xi(54)=5.37445783946277e-09 xi_scaled(54)=1 zeta(55)=0 Stats: nr=29 min=1 max=133 Safeguard: keep additional 1 states Emax=8.011155372190226 nrkept=230 nrkeptmult=510 Total energy=-2.892026858964449 Egs=-0.8020352577657326 Kept: 230 out of 942, ratio=0.244 Memory used: 67 MB Time elapsed: 1 s ***** [NRG] Iteration 56/66 (scale 3.8003155834853256e-09) ***** [1] xi(55)=3.800315583485326e-09 xi_scaled(55)=1 zeta(56)=0 Stats: nr=25 min=2 max=107 Emax=8.010004966539102 nrkept=252 nrkeptmult=568 Total energy=-2.892026865056254 Egs=-1.602973441058619 Kept: 252 out of 856, ratio=0.294 Memory used: 67 MB Time elapsed: 1 s ***** [NRG] Iteration 57/66 (scale 2.6872289197313849e-09) ***** [1] xi(56)=2.687228919731385e-09 xi_scaled(56)=1 zeta(57)=0 Stats: nr=29 min=1 max=133 Safeguard: keep additional 1 states Emax=8.011498738357311 nrkept=230 nrkeptmult=510 Total energy=-2.892026867211436 Egs=-0.8020091614775788 Kept: 230 out of 942, ratio=0.244 Memory used: 67 MB Time elapsed: 1 s ***** [NRG] Iteration 58/66 (scale 1.9001577917426628e-09) ***** [1] xi(57)=1.900157791742663e-09 xi_scaled(57)=1 zeta(58)=0 Stats: nr=25 min=2 max=107 Emax=8.010538433858121 nrkept=252 nrkeptmult=568 Total energy=-2.892026870257394 Egs=-1.603002316632808 Kept: 252 out of 856, ratio=0.294 Memory used: 67 MB Time elapsed: 1 s ***** [NRG] Iteration 59/66 (scale 1.3436144598656924e-09) ***** [1] xi(58)=1.343614459865692e-09 xi_scaled(58)=1 zeta(59)=0 Stats: nr=29 min=1 max=133 Safeguard: keep additional 1 states Emax=8.011670325181955 nrkept=230 nrkeptmult=510 Total energy=-2.892026871334967 Egs=-0.8019961119899781 Kept: 230 out of 942, ratio=0.244 Memory used: 67 MB Time elapsed: 1 s ***** [NRG] Iteration 60/66 (scale 9.5007889587133141e-10) ***** [1] xi(59)=9.500788958713314e-10 xi_scaled(59)=1 zeta(60)=0 Stats: nr=25 min=2 max=107 Emax=8.010805157336756 nrkept=252 nrkeptmult=568 Total energy=-2.89202687285796 Egs=-1.603016755609181 Kept: 252 out of 856, ratio=0.294 Memory used: 67 MB Time elapsed: 1 s ***** [NRG] Iteration 61/66 (scale 6.7180722993284622e-10) ***** [1] xi(60)=6.718072299328462e-10 xi_scaled(60)=1 zeta(61)=0 Stats: nr=29 min=1 max=133 Safeguard: keep additional 1 states Emax=8.011756095679671 nrkept=230 nrkeptmult=510 Total energy=-2.892026873396742 Egs=-0.8019895869517683 Kept: 230 out of 942, ratio=0.244 Memory used: 67 MB Time elapsed: 1 s ***** [NRG] Iteration 62/66 (scale 4.750394479356657e-10) ***** [1] xi(61)=4.750394479356657e-10 xi_scaled(61)=1 zeta(62)=0 Stats: nr=25 min=2 max=107 Emax=8.010938517521414 nrkept=252 nrkeptmult=568 Total energy=-2.892026874158242 Egs=-1.603023975340999 Kept: 252 out of 856, ratio=0.294 Memory used: 67 MB Time elapsed: 1 s ***** [NRG] Iteration 63/66 (scale 3.3590361496642311e-10) ***** [1] xi(62)=3.359036149664231e-10 xi_scaled(62)=1 zeta(63)=0 Stats: nr=29 min=1 max=133 Safeguard: keep additional 1 states Emax=8.01179897532764 nrkept=230 nrkeptmult=510 Total energy=-2.892026874427632 Egs=-0.8019863243789187 Kept: 230 out of 942, ratio=0.244 Memory used: 67 MB Time elapsed: 1 s ***** [NRG] Iteration 64/66 (scale 2.3751972396783285e-10) ***** [1] xi(63)=2.375197239678329e-10 xi_scaled(63)=1 zeta(64)=0 Stats: nr=25 min=2 max=107 Emax=8.011005197214926 nrkept=252 nrkeptmult=568 Total energy=-2.892026874808383 Egs=-1.603027585240833 Kept: 252 out of 856, ratio=0.294 Memory used: 67 MB Time elapsed: 1 s ***** [NRG] Iteration 65/66 (scale 1.6795180748321155e-10) ***** [1] xi(64)=1.679518074832116e-10 xi_scaled(64)=1 zeta(65)=0 Stats: nr=29 min=1 max=133 Safeguard: keep additional 1 states Emax=8.011820413738883 nrkept=230 nrkeptmult=510 Total energy=-2.892026874943078 Egs=-0.8019846930888779 Kept: 230 out of 942, ratio=0.244 Memory used: 67 MB Time elapsed: 1 s ***** [NRG] Iteration 66/66 (scale 1.1875986198391643e-10) ***** [1] xi(65)=1.187598619839164e-10 xi_scaled(65)=1 zeta(66)=0 Stats: nr=25 min=2 max=107 Emax=8.011038536864797 nrkept=252 nrkeptmult=568 Total energy=-2.892026875133453 Egs=-1.603029390185719 Kept: 252 out of 856, ratio=0.294 Memory used: 67 MB Time elapsed: 1 s ** Iteration completed. Total energy: -2.892026875133453 TKW=1.105432935013501e-05 Memory usage report =================== after diag: 68620 kB after recalc: 68620 kB after split: 68620 kB after trim: 68620 kB after trunc: 68620 kB diag_h: 68620 kB Peak usage: 68620 kB Timing report ============= All: 1 s diag: 1 s recalc f: 0 s Other: 0 s