NRG Ljubljana 2.4.3.31 - (c) Rok Zitko <rok.zitko@ijs.si>
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=1 Nmax=67 subspaces=6
Reading <||||> (e)
Reading <||||> (z)

length_coef_table=67 Nmax=67

Number of invariant subspaces: 6
(-2 1) 1 states
0.02610887405249567 
(-1 2) 2 states
0.01226142455922721 0.03704199864888374 
(0 1) 3 states
0 0.02610887405249567 0.04930342320811096 
(0 3) 1 states
0.02319454915561529 
(1 2) 2 states
0.01226142455922721 0.03704199864888374 
(2 1) 1 states
0.02610887405249567 
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)

 ***** [NRG] Iteration 1/67 (scale 1.2131570881878404) ***** 
[1] xi(0)=0.5739838990129388 xi_scaled(0)=0.4731323788169347 zeta(1)=0
Stats: nr=10 min=1 max=8
Emax=1.897919474550228 nrkept=35 nrkeptmult=64 
Total energy=-1.148737231680175  Egs=-0.9140969523889484
Kept: 35 out of 35, 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=15 min=1 max=20
Emax=3.748768966243582 nrkept=126 nrkeptmult=256 
Total energy=-1.605406247110788  Egs=-0.5323527525213151
Kept: 126 out of 126, 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=21 min=1 max=75
Emax=8.485545903680581 nrkept=462 nrkeptmult=1024 
Total energy=-2.571075040048349  Egs=-1.591992994707774
Kept: 462 out of 462, ratio=1
Memory used: 59 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=28 min=1 max=210
Safeguard: keep additional 1 states
Emax=10.31596491349161 nrkept=1468 nrkeptmult=3540 
Total energy=-3.052774198174157  Egs=-1.123062279465892
Kept: 1468 out of 1716, ratio=0.855
Memory used: 63 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=36 min=1 max=655
Emax=10.33779965091078 nrkept=2232 nrkeptmult=5614 
Total energy=-3.549532443841911  Egs=-1.637902462935905
Kept: 2232 out of 5512, ratio=0.405
Memory used: 84 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=42 min=2 max=841
Safeguard: keep additional 5 states
Emax=10.02015358816592 nrkept=2242 nrkeptmult=5560 
Total energy=-3.740249138238666  Egs=-0.8892966571699058
Kept: 2242 out of 8428, ratio=0.266
Memory used: 94 MB  Time elapsed: 2 s

 ***** [NRG] Iteration 7/67 (scale 0.15164463602348005) ***** 
[1] xi(6)=0.152902811956196 xi_scaled(6)=1.008296870668878 zeta(7)=0
Stats: nr=44 min=1 max=963
Safeguard: keep additional 3 states
Emax=10.00641640109437 nrkept=2066 nrkeptmult=5134 
Total energy=-3.971375538660618  Egs=-1.52413172323593
Kept: 2066 out of 8445, ratio=0.245
Memory used: 93 MB  Time elapsed: 3 s

 ***** [NRG] Iteration 8/67 (scale 0.10722895046276855) ***** 
[1] xi(7)=0.1075508678417629 xi_scaled(7)=1.003002149863493 zeta(8)=0
Stats: nr=42 min=1 max=791
Safeguard: keep additional 7 states
Emax=10.43699519362934 nrkept=2158 nrkeptmult=5360 
Total energy=-4.066288046743428  Egs=-0.8851388330595024
Kept: 2158 out of 7778, ratio=0.277
Memory used: 87 MB  Time elapsed: 4 s

 ***** [NRG] Iteration 9/67 (scale 0.075822318011740025) ***** 
[1] xi(8)=0.07592236585864423 xi_scaled(8)=1.001319503934036 zeta(9)=0
Stats: nr=44 min=1 max=930
Safeguard: keep additional 3 states
Emax=10.00284154697833 nrkept=1706 nrkeptmult=4224 
Total energy=-4.179595047654256  Egs=-1.494375322227474
Kept: 1706 out of 8137, ratio=0.21
Memory used: 87 MB  Time elapsed: 6 s

 ***** [NRG] Iteration 10/67 (scale 0.053614475231384275) ***** 
[1] xi(9)=0.05364782713658343 xi_scaled(9)=1.000622069041154 zeta(10)=0
Stats: nr=42 min=1 max=669
Safeguard: keep additional 1 states
Emax=10.02754396689967 nrkept=1970 nrkeptmult=4888 
Total energy=-4.228052490074748  Egs=-0.9038126776652012
Kept: 1970 out of 6436, ratio=0.306
Memory used: 97 MB  Time elapsed: 7 s

 ***** [NRG] Iteration 11/67 (scale 0.037911159005870013) ***** 
[1] xi(10)=0.03792261705256315 xi_scaled(10)=1.000302234144078 zeta(11)=0
Stats: nr=44 min=1 max=850
Safeguard: keep additional 3 states
Emax=10.00409368936237 nrkept=1654 nrkeptmult=4108 
Total energy=-4.283632861009822  Egs=-1.466068893500953
Kept: 1654 out of 7433, ratio=0.223
Memory used: 87 MB  Time elapsed: 8 s

 ***** [NRG] Iteration 12/67 (scale 0.026807237615692137) ***** 
[1] xi(11)=0.02681123139335603 xi_scaled(11)=1.000148981320685 zeta(12)=0
Stats: nr=42 min=1 max=646
Safeguard: keep additional 2 states
Emax=10.029358065216 nrkept=1857 nrkeptmult=4609 
Total energy=-4.308431416928319  Egs=-0.925069426175425
Kept: 1857 out of 6244, ratio=0.297
Memory used: 96 MB  Time elapsed: 8 s

 ***** [NRG] Iteration 13/67 (scale 0.018955579502935006) ***** 
[1] xi(12)=0.01895698153749041 xi_scaled(12)=1.000073964214873 zeta(13)=0
Stats: nr=42 min=1 max=805
Safeguard: keep additional 3 states
Emax=10.00021040656766 nrkept=1570 nrkeptmult=3872 
Total energy=-4.335691902043362  Egs=-1.438124596023153
Kept: 1570 out of 6997, ratio=0.224
Memory used: 87 MB  Time elapsed: 9 s

 ***** [NRG] Iteration 14/67 (scale 0.013403618807846069) ***** 
[1] xi(13)=0.01340411275001429 xi_scaled(13)=1.000036851403737 zeta(14)=0
Stats: nr=42 min=1 max=616
Safeguard: keep additional 1 states
Emax=10.00176920762854 nrkept=1722 nrkeptmult=4292 
Total energy=-4.34835963465049  Egs=-0.9450979462137609
Kept: 1722 out of 5918, ratio=0.291
Memory used: 93 MB  Time elapsed: 10 s

 ***** [NRG] Iteration 15/67 (scale 0.0094777897514675032) ***** 
[1] xi(14)=0.009477964077759639 xi_scaled(14)=1.000018393137715 zeta(15)=0
Stats: nr=42 min=1 max=748
Emax=10.00596925895704 nrkept=1547 nrkeptmult=3808 
Total energy=-4.361745417511648  Egs=-1.412331694642863
Kept: 1547 out of 6489, ratio=0.238
Memory used: 98 MB  Time elapsed: 11 s

 ***** [NRG] Iteration 16/67 (scale 0.0067018094039230343) ***** 
[1] xi(15)=0.006701870983107951 xi_scaled(15)=1.000009188441689 zeta(16)=0
Stats: nr=42 min=1 max=605
Emax=10.00161004460053 nrkept=1595 nrkeptmult=3945 
Total energy=-4.368196705250568  Egs=-0.9626188018930951
Kept: 1595 out of 5826, ratio=0.274
Memory used: 98 MB  Time elapsed: 11 s

 ***** [NRG] Iteration 17/67 (scale 0.0047388948757337516) ***** 
[1] xi(16)=0.004738916637643105 xi_scaled(16)=1.00000459219078 zeta(17)=0
Stats: nr=40 min=1 max=703
Emax=10.00077755967478 nrkept=1438 nrkeptmult=3568 
Total energy=-4.374778644699295  Egs=-1.38891864481541
Kept: 1438 out of 6012, ratio=0.239
Memory used: 98 MB  Time elapsed: 12 s

 ***** [NRG] Iteration 18/67 (scale 0.0033509047019615172) ***** 
[1] xi(17)=0.003350912394258439 xi_scaled(17)=1.000002295588089 zeta(18)=0
Stats: nr=40 min=1 max=564
Safeguard: keep additional 3 states
Emax=10.01811290984293 nrkept=1391 nrkeptmult=3379 
Total energy=-4.378059444893823  Egs=-0.9790789313130801
Kept: 1391 out of 5412, ratio=0.257
Memory used: 98 MB  Time elapsed: 13 s

 ***** [NRG] Iteration 19/67 (scale 0.0023694474378668758) ***** 
[1] xi(18)=0.002369450157204092 xi_scaled(18)=1.000001147667246 zeta(19)=0
Stats: nr=36 min=1 max=625
Emax=10.02188756949709 nrkept=1229 nrkeptmult=3046 
Total energy=-4.381295757819682  Egs=-1.365851326405688
Kept: 1229 out of 5233, ratio=0.235
Memory used: 98 MB  Time elapsed: 13 s

 ***** [NRG] Iteration 20/67 (scale 0.0016754523509807586) ***** 
[1] xi(19)=0.001675453312358546 xi_scaled(19)=1.000000573801927 zeta(20)=0
Stats: nr=40 min=1 max=486
Safeguard: keep additional 2 states
Emax=10.00528209546335 nrkept=1169 nrkeptmult=2917 
Total energy=-4.382966782159648  Egs=-0.9973571250699201
Kept: 1169 out of 4628, ratio=0.253
Memory used: 98 MB  Time elapsed: 13 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=529
Safeguard: keep additional 5 states
Emax=10.00311431158217 nrkept=1008 nrkeptmult=2526 
Total energy=-4.384554671895628  Egs=-1.340303828313436
Kept: 1008 out of 4412, ratio=0.228
Memory used: 98 MB  Time elapsed: 14 s

 ***** [NRG] Iteration 22/67 (scale 0.00083772617549037929) ***** 
[1] xi(21)=0.0008377262956576245 xi_scaled(21)=1.000000143444539 zeta(22)=0
Stats: nr=40 min=1 max=408
Safeguard: keep additional 1 states
Emax=10.01538309080739 nrkept=977 nrkeptmult=2469 
Total energy=-4.385409037688595  Egs=-1.019862835809155
Kept: 977 out of 3804, ratio=0.257
Memory used: 98 MB  Time elapsed: 14 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=443
Safeguard: keep additional 2 states
Emax=10.00349881374874 nrkept=860 nrkeptmult=2206 
Total energy=-4.386185041192625  Egs=-1.310015983691092
Kept: 860 out of 3693, ratio=0.233
Memory used: 98 MB  Time elapsed: 14 s

 ***** [NRG] Iteration 24/67 (scale 0.00041886308774518965) ***** 
[1] xi(23)=0.0004188631027659398 xi_scaled(23)=1.000000035860763 zeta(24)=0
Stats: nr=40 min=1 max=354
Safeguard: keep additional 1 states
Emax=10.00855935214753 nrkept=876 nrkeptmult=2184 
Total energy=-4.386624109126712  Egs=-1.048237352330861
Kept: 876 out of 3260, ratio=0.269
Memory used: 98 MB  Time elapsed: 14 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=404
Emax=10.00200852560263 nrkept=825 nrkeptmult=2110 
Total energy=-4.387001244643177  Egs=-1.273328153857225
Kept: 825 out of 3305, ratio=0.25
Memory used: 98 MB  Time elapsed: 14 s

 ***** [NRG] Iteration 26/67 (scale 0.00020943154387259482) ***** 
[1] xi(25)=0.0002094315457501837 xi_scaled(25)=1.000000008965168 zeta(26)=0
Stats: nr=40 min=1 max=339
Safeguard: keep additional 1 states
Emax=10.00279986293513 nrkept=844 nrkeptmult=2104 
Total energy=-4.387228267044174  Egs=-1.083993350761939
Kept: 844 out of 3122, ratio=0.27
Memory used: 98 MB  Time elapsed: 15 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=388
Safeguard: keep additional 2 states
Emax=10.01806941063043 nrkept=814 nrkeptmult=2080 
Total energy=-4.387410240688257  Egs=-1.228800545984254
Kept: 814 out of 3181, ratio=0.256
Memory used: 98 MB  Time elapsed: 15 s

 ***** [NRG] Iteration 28/67 (scale 0.00010471577193629741) ***** 
[1] xi(27)=0.0001047157721709959 xi_scaled(27)=1.00000000224129 zeta(28)=0
Stats: nr=40 min=1 max=332
Safeguard: keep additional 1 states
Emax=10.01885702903783 nrkept=823 nrkeptmult=2043 
Total energy=-4.38752845247565  Egs=-1.128882356568804
Kept: 823 out of 3078, ratio=0.267
Memory used: 98 MB  Time elapsed: 15 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=381
Safeguard: keep additional 4 states
Emax=10.02044666697896 nrkept=811 nrkeptmult=2074 
Total energy=-4.387615473969038  Egs=-1.175247757715911
Kept: 811 out of 3101, ratio=0.262
Memory used: 98 MB  Time elapsed: 15 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=40 min=1 max=331
Safeguard: keep additional 1 states
Emax=10.00307888042228 nrkept=790 nrkeptmult=1968 
Total energy=-4.387677502048742  Egs=-1.184694121187097
Kept: 790 out of 3066, ratio=0.258
Memory used: 98 MB  Time elapsed: 15 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=364
Safeguard: keep additional 1 states
Emax=10.00585895983722 nrkept=795 nrkeptmult=2024 
Total energy=-4.387718688471804  Egs=-1.112466575027185
Kept: 795 out of 2977, ratio=0.267
Memory used: 98 MB  Time elapsed: 15 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=38 min=1 max=328
Safeguard: keep additional 2 states
Emax=10.00714078503589 nrkept=767 nrkeptmult=1931 
Total energy=-4.387751471991353  Egs=-1.252285837888007
Kept: 767 out of 3004, ratio=0.255
Memory used: 98 MB  Time elapsed: 15 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=351
Safeguard: keep additional 2 states
Emax=10.01712829169324 nrkept=793 nrkeptmult=2002 
Total energy=-4.387770775092022  Egs=-1.042773452660148
Kept: 793 out of 2894, ratio=0.274
Memory used: 98 MB  Time elapsed: 15 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=38 min=1 max=326
Safeguard: keep additional 2 states
Emax=10.00934460749769 nrkept=753 nrkeptmult=1905 
Total energy=-4.3877881779089  Egs=-1.329527848988439
Kept: 753 out of 2992, ratio=0.252
Memory used: 98 MB  Time elapsed: 15 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=343
Safeguard: keep additional 3 states
Emax=10.00011701718973 nrkept=757 nrkeptmult=1892 
Total energy=-4.387797180009487  Egs=-0.9726055592180428
Kept: 757 out of 2845, ratio=0.266
Memory used: 98 MB  Time elapsed: 16 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=38 min=1 max=314
Safeguard: keep additional 4 states
Emax=10.00831218485064 nrkept=710 nrkeptmult=1764 
Total energy=-4.387806401398543  Egs=-1.408978057192681
Kept: 710 out of 2856, ratio=0.249
Memory used: 98 MB  Time elapsed: 16 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=33 min=1 max=329
Safeguard: keep additional 1 states
Emax=10.00127587194883 nrkept=719 nrkeptmult=1776 
Total energy=-4.387810619162672  Egs=-0.9113919134024361
Kept: 719 out of 2677, ratio=0.269
Memory used: 98 MB  Time elapsed: 16 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=36 min=1 max=300
Safeguard: keep additional 1 states
Emax=10.00248033441463 nrkept=649 nrkeptmult=1589 
Total energy=-4.387815459043183  Egs=-1.479014798530045
Kept: 649 out of 2710, ratio=0.239
Memory used: 98 MB  Time elapsed: 16 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=33 min=1 max=308
Safeguard: keep additional 1 states
Emax=10.00174531477427 nrkept=674 nrkeptmult=1652 
Total energy=-4.387817463126803  Egs=-0.8661013508863108
Kept: 674 out of 2445, ratio=0.276
Memory used: 98 MB  Time elapsed: 16 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=36 min=1 max=281
Safeguard: keep additional 1 states
Emax=10.01157482544256 nrkept=592 nrkeptmult=1416 
Total energy=-4.387819967807208  Egs=-1.53080613328387
Kept: 592 out of 2538, ratio=0.233
Memory used: 98 MB  Time elapsed: 16 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=33 min=1 max=287
Safeguard: keep additional 1 states
Emax=10.04577818012656 nrkept=603 nrkeptmult=1444 
Total energy=-4.387820936355728  Egs=-0.837151875821314
Kept: 603 out of 2222, ratio=0.271
Memory used: 98 MB  Time elapsed: 16 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=36 min=1 max=256
Emax=10.00422692858648 nrkept=535 nrkeptmult=1261 
Total energy=-4.387822215580924  Egs=-1.563669178561088
Kept: 535 out of 2264, ratio=0.236
Memory used: 98 MB  Time elapsed: 16 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=33 min=1 max=262
Safeguard: keep additional 1 states
Emax=10.08524419488576 nrkept=569 nrkeptmult=1328 
Total energy=-4.38782269021251  Egs=-0.8204828458107779
Kept: 569 out of 2005, ratio=0.284
Memory used: 98 MB  Time elapsed: 16 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=34 min=1 max=245
Safeguard: keep additional 1 states
Emax=10.02529890528399 nrkept=505 nrkeptmult=1165 
Total energy=-4.387823337497548  Egs=-1.582426091454626
Kept: 505 out of 2132, ratio=0.237
Memory used: 98 MB  Time elapsed: 16 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=33 min=1 max=249
Emax=10.4457191325039 nrkept=567 nrkeptmult=1322 
Total energy=-4.387823572210451  Egs=-0.8114837565042986
Kept: 567 out of 1886, ratio=0.301
Memory used: 98 MB  Time elapsed: 16 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=34 min=1 max=244
Safeguard: keep additional 1 states
Emax=10.19783647284379 nrkept=499 nrkeptmult=1149 
Total energy=-4.387823897909592  Egs=-1.592481789458616
Kept: 499 out of 2124, ratio=0.235
Memory used: 98 MB  Time elapsed: 16 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=33 min=1 max=245
Emax=10.66842076995259 nrkept=567 nrkeptmult=1322 
Total energy=-4.387824014588582  Egs=-0.8067993136727152
Kept: 567 out of 1862, ratio=0.305
Memory used: 98 MB  Time elapsed: 16 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=34 min=1 max=244
Safeguard: keep additional 1 states
Emax=10.40004322254119 nrkept=499 nrkeptmult=1149 
Total energy=-4.387824177971026  Egs=-1.597692676829068
Kept: 499 out of 2124, ratio=0.235
Memory used: 98 MB  Time elapsed: 16 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=33 min=1 max=245
Emax=10.75365443694402 nrkept=567 nrkeptmult=1322 
Total energy=-4.387824236137615  Egs=-0.8044081282544485
Kept: 567 out of 1862, ratio=0.305
Memory used: 98 MB  Time elapsed: 17 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=34 min=1 max=244
Emax=10.50111290164668 nrkept=498 nrkeptmult=1142 
Total energy=-4.387824317964488  Egs=-1.600345714845854
Kept: 498 out of 2124, ratio=0.234
Memory used: 98 MB  Time elapsed: 17 s

 ***** [NRG] Iteration 51/67 (scale 3.6154898649091733e-08) ***** 
[1] xi(50)=3.615489864909175e-08 xi_scaled(50)=1 zeta(51)=0
Stats: nr=33 min=1 max=246
Emax=10.79762853212385 nrkept=567 nrkeptmult=1322 
Total energy=-4.387824347004099  Egs=-0.8031999201113214
Kept: 567 out of 1857, ratio=0.305
Memory used: 98 MB  Time elapsed: 17 s

 ***** [NRG] Iteration 52/67 (scale 2.556537400788511e-08) ***** 
[1] xi(51)=2.556537400788511e-08 xi_scaled(51)=1 zeta(52)=0
Stats: nr=34 min=1 max=244
Emax=10.51352101001155 nrkept=498 nrkeptmult=1142 
Total energy=-4.38782438795176  Egs=-1.601684369551748
Kept: 498 out of 2124, ratio=0.234
Memory used: 98 MB  Time elapsed: 17 s

 ***** [NRG] Iteration 53/67 (scale 1.8077449324545866e-08) ***** 
[1] xi(52)=1.807744932454587e-08 xi_scaled(52)=1 zeta(53)=0
Stats: nr=33 min=1 max=246
Emax=10.81985141014286 nrkept=567 nrkeptmult=1322 
Total energy=-4.387824402460587  Egs=-0.8025926130749887
Kept: 567 out of 1857, ratio=0.305
Memory used: 98 MB  Time elapsed: 17 s

 ***** [NRG] Iteration 54/67 (scale 1.2782687003942555e-08) ***** 
[1] xi(53)=1.278268700394256e-08 xi_scaled(53)=1 zeta(54)=0
Stats: nr=34 min=1 max=244
Emax=10.51977875468144 nrkept=498 nrkeptmult=1142 
Total energy=-4.387824422943011  Egs=-1.602356760974571
Kept: 498 out of 2124, ratio=0.234
Memory used: 98 MB  Time elapsed: 17 s

 ***** [NRG] Iteration 55/67 (scale 9.0387246622729332e-09) ***** 
[1] xi(54)=9.038724662272933e-09 xi_scaled(54)=1 zeta(55)=0
Stats: nr=33 min=1 max=246
Emax=10.83043012868844 nrkept=567 nrkeptmult=1324 
Total energy=-4.387824430194673  Egs=-0.8022881525271168
Kept: 567 out of 1857, ratio=0.305
Memory used: 98 MB  Time elapsed: 17 s

 ***** [NRG] Iteration 56/67 (scale 6.3913435019712775e-09) ***** 
[1] xi(55)=6.391343501971278e-09 xi_scaled(55)=1 zeta(56)=0
Stats: nr=34 min=1 max=243
Emax=10.52293150252326 nrkept=498 nrkeptmult=1142 
Total energy=-4.387824440438039  Egs=-1.602693726496887
Kept: 498 out of 2124, ratio=0.234
Memory used: 98 MB  Time elapsed: 17 s

 ***** [NRG] Iteration 57/67 (scale 4.5193623311364666e-09) ***** 
[1] xi(56)=4.519362331136467e-09 xi_scaled(56)=1 zeta(57)=0
Stats: nr=33 min=1 max=246
Emax=10.83404270273837 nrkept=567 nrkeptmult=1324 
Total energy=-4.387824444063181  Egs=-0.8021357197016612
Kept: 567 out of 1857, ratio=0.305
Memory used: 98 MB  Time elapsed: 17 s

 ***** [NRG] Iteration 58/67 (scale 3.1956717509856388e-09) ***** 
[1] xi(57)=3.195671750985639e-09 xi_scaled(57)=1 zeta(58)=0
Stats: nr=34 min=1 max=243
Emax=10.52450652966135 nrkept=498 nrkeptmult=1142 
Total energy=-4.387824449185403  Egs=-1.602862402185863
Kept: 498 out of 2124, ratio=0.234
Memory used: 98 MB  Time elapsed: 17 s

 ***** [NRG] Iteration 59/67 (scale 2.2596811655682333e-09) ***** 
[1] xi(58)=2.259681165568233e-09 xi_scaled(58)=1 zeta(59)=0
Stats: nr=33 min=1 max=246
Emax=10.8358454957157 nrkept=567 nrkeptmult=1324 
Total energy=-4.387824450997801  Egs=-0.8020594525519443
Kept: 567 out of 1857, ratio=0.305
Memory used: 98 MB  Time elapsed: 17 s

 ***** [NRG] Iteration 60/67 (scale 1.5978358754928194e-09) ***** 
[1] xi(59)=1.597835875492819e-09 xi_scaled(59)=1 zeta(60)=0
Stats: nr=34 min=1 max=243
Emax=10.52529491444706 nrkept=498 nrkeptmult=1142 
Total energy=-4.387824453559047  Egs=-1.602946788321193
Kept: 498 out of 2124, ratio=0.234
Memory used: 98 MB  Time elapsed: 17 s

 ***** [NRG] Iteration 61/67 (scale 1.1298405827841166e-09) ***** 
[1] xi(60)=1.129840582784117e-09 xi_scaled(60)=1 zeta(61)=0
Stats: nr=33 min=1 max=246
Emax=10.83674602962636 nrkept=567 nrkeptmult=1324 
Total energy=-4.387824454465203  Egs=-0.8020213062809478
Kept: 567 out of 1857, ratio=0.305
Memory used: 98 MB  Time elapsed: 17 s

 ***** [NRG] Iteration 62/67 (scale 7.9891793774640969e-10) ***** 
[1] xi(61)=7.989179377464097e-10 xi_scaled(61)=1 zeta(62)=0
Stats: nr=34 min=1 max=243
Emax=10.52568932504336 nrkept=498 nrkeptmult=1142 
Total energy=-4.38782445574586  Egs=-1.602988993468596
Kept: 498 out of 2124, ratio=0.234
Memory used: 98 MB  Time elapsed: 17 s

 ***** [NRG] Iteration 63/67 (scale 5.6492029139205832e-10) ***** 
[1] xi(62)=5.649202913920583e-10 xi_scaled(62)=1 zeta(63)=0
Stats: nr=33 min=1 max=246
Emax=10.83719608380651 nrkept=567 nrkeptmult=1324 
Total energy=-4.387824456198927  Egs=-0.8020022299701317
Kept: 567 out of 1857, ratio=0.305
Memory used: 98 MB  Time elapsed: 17 s

 ***** [NRG] Iteration 64/67 (scale 3.9945896887320485e-10) ***** 
[1] xi(63)=3.994589688732048e-10 xi_scaled(63)=1 zeta(64)=0
Stats: nr=34 min=1 max=243
Emax=10.52588658493001 nrkept=498 nrkeptmult=1142 
Total energy=-4.387824456839263  Egs=-1.603010099062982
Kept: 498 out of 2124, ratio=0.234
Memory used: 98 MB  Time elapsed: 17 s

 ***** [NRG] Iteration 65/67 (scale 2.8246014569602916e-10) ***** 
[1] xi(64)=2.824601456960292e-10 xi_scaled(64)=1 zeta(65)=0
Stats: nr=33 min=1 max=246
Emax=10.83742105805385 nrkept=567 nrkeptmult=1324 
Total energy=-4.387824457065794  Egs=-0.801992691020862
Kept: 567 out of 1857, ratio=0.305
Memory used: 98 MB  Time elapsed: 17 s

 ***** [NRG] Iteration 66/67 (scale 1.9972948443660242e-10) ***** 
[1] xi(65)=1.997294844366024e-10 xi_scaled(65)=1 zeta(66)=0
Stats: nr=34 min=1 max=243
Emax=10.52598522852213 nrkept=498 nrkeptmult=1142 
Total energy=-4.387824457385965  Egs=-1.603020652615347
Kept: 498 out of 2124, ratio=0.234
Memory used: 98 MB  Time elapsed: 17 s

 ***** [NRG] Iteration 67/67 (scale 1.4123007284801458e-10) ***** 
[1] xi(66)=1.412300728480146e-10 xi_scaled(66)=1 zeta(67)=0
Stats: nr=33 min=1 max=246
Safeguard: keep additional 2 states
Emax=10.83753605501114 nrkept=569 nrkeptmult=1330 
Total energy=-4.38782445749923  Egs=-0.8019879213477987
Kept: 569 out of 1857, ratio=0.306
Memory used: 98 MB  Time elapsed: 17 s

** Iteration completed.


Total energy:              -4.38782445749923
TKW=3.184971859948173e-06

Memory usage report
===================
  after diag: 114532 kB
after recalc: 116220 kB
 after split: 116220 kB
  after trim: 101032 kB
 after trunc: 114532 kB
      diag_h: 114532 kB

Peak usage: 116220 kB

Timing report
=============
         All: 17 s
        diag: 17 s
    recalc f: 0 s
       Other: 0 s
