NRG Ljubljana 2.3.20 - (c) Rok Zitko <rok.zitko@ijs.si>
$Id: nrg.cc,v 1.31 2012/10/26 10:18:22 rokzitko Exp rokzitko $
Timestamp: Fri May 31 11:54:49 2013
Compiled on May 31 2013 at 20:34:53

No MPI: single node calculation.

workdir=.
Tmin=1e-16 -> Nmax=106
TEMPERATURE T=1.34687493179e-16
Nmax=106
Tmin=1e-16
Ninit=0
Lambda=2
strategy=kept
lastall=0
lastalloverride=0
z=0.75
discretization=Z
band=flat
betabar=1
T=1.34687493179e-16
T_ratio=1
Tmin_ratio=-999
keep=10000
keepenergy=10
keepmin=0
keepblock=0
keepzrescale=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
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
saveall=0
dumpannotated=0
dumpscaled=1
dumpabs=0
dumpprecision=8
dumpgroups=1
grouptol=1e-06
dumpdiagonal=0
ops=SaSd
specs=
specd=
spect=
specb=
reim=0
trsq=
specgt=
gtp=0.7
speci1t=
speci2t=
speckubo=
kubop=0.7
kubor=4
kubob=2
cond=
specchit=
chitp=1
chitp_ratio=-999
dm=0
T0opt=-1
dmnrg=0
cfs=0
fdm=0
fdmexpv=0
fdmexpvn=0
mats=0
nromegan=100
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
restart=1
restartfactor=2
checkdiag=0
checkrho=0
calc0=1
tdht=0
spin=2
tri=old
preccpp=2000
checksumrules=0
showEs=0
globalB=0
globalBx=0
polarized=0
pol2x2=0
mpi=0
saveF=0
trunc=
noimag=1
dumpsubspaces=0
done=0
resume=0
forcestop=-1
stopafter=
removefiles=1
store=one

>>  Input file for NRG Ljubljana, Rok Zitko, rok.zitko@ijs.si, 2005-2012
SYMMETRY TYPE: QS
>>  $Id: initial.m,v 1.1 2012/05/15 09:58:19 rokzitko Exp rokzitko $
>>  Using sneg version 	1.233
>>  Model: 	SIDE	 Variant: 		 Channels: 	1
>>  U=	1	 Gamma=	0.03	 Delta=	0	 t=	0.0001
>> 
>>  Gamma^(1/2)=	0.13819765978853418
>>  Lambda=	2.	 BAND=	flat
>>  DISCRETIZATION=	Z	 z=	0.75
>>  ops=	SaSd
V7
>>  Number of channels, impurities, subspaces: 
channels=1 impurities=2 subspaces=10
Reading <||||> (e)
Reading <||SaSd||> (s)
Reading <||||> (z)

# $Id: nrg.cc,v 1.31 2012/10/26 10:18:22 rokzitko Exp rokzitko $ QS
# disk=Z band=flat Lambda=2 z=0.75
# keep=10000 keepenergy=10 Nmax=106 channels=1 dots=2 betabar=1

Number of invariant subspaces: 10
(-3 1) 1 states
0.92542456065 
(-2 2) 3 states
0.48388657446 0.513276997015 0.954814551608 
(-1 1) 6 states
0.0717389773265 0.412147764952 0.542666794445 0.92542456065 0.925424586361 1.02655356243 
(-1 3) 3 states
0.0717390108256 0.513276565419 0.542666987974 
(0 2) 8 states
0 0.101128976073 0.48388657446 0.483886767989 0.513276997015 0.614405797482 0.954814551608 0.954814585108 
(0 4) 1 states
0.101129001784 
(1 1) 6 states
0.0717389773265 0.412147764952 0.542666794445 0.92542456065 0.925424586361 1.02655356243 
(1 3) 3 states
0.0717390108256 0.513276565419 0.542666987974 
(2 2) 3 states
0.48388657446 0.513276997015 0.954814551608 
(3 1) 1 states
0.92542456065 
Number of states (multiplicity taken into account): 64

Computing the following operators:
s=[]
p=[]
g=[]
d=[]
v=[]
t=[]

Computing the following spectra:

Before NRG iteration (N=-1)
<SaSd>=-7.11862986573e-10

 ***** [NRG] Iteration 1/106 (scale 0.85783160370214839) ***** 
[1] xi(0)=0.684778584642 zeta(1)=0
Stats: nr=15 min=1 max=20 sum3=30066
Emax=3.9460425447 nrkept=126 nrkeptmult=256 
Total energy=-1.1925200022  Egs=-1.2471382871
Kept: 126 out of 126, ratio=1
<SaSd>=-1.46827423356e-09
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 2/106 (scale 0.6065785440939202) ***** 
[1] xi(1)=0.833755393818 zeta(2)=0
Stats: nr=21 min=1 max=75 sum3=1007202
Emax=6.98283991073 nrkept=462 nrkeptmult=1024 
Total energy=-1.61782043335  Egs=-0.70114651316
Kept: 462 out of 462, ratio=1
<SaSd>=-3.02308609973e-09
Memory used: 5 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 3/106 (scale 0.4289158018510742) ***** 
[1] xi(2)=0.947046165312 zeta(3)=0
Stats: nr=28 min=1 max=210 sum3=37226316
Safeguard: keep additional 1 states
Emax=10.1561528802 nrkept=1596 nrkeptmult=3864 
Total energy=-2.25011232575  Egs=-1.47416320329
Kept: 1596 out of 1716, ratio=0.93
<SaSd>=-6.13921036397e-09
Memory used: 13 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 4/106 (scale 0.3032892720469601) ***** 
[1] xi(3)=0.972572268687 zeta(4)=0
Stats: nr=36 min=1 max=720 sum3=1171555716
Safeguard: keep additional 3 states
Emax=10.0059291647 nrkept=3252 nrkeptmult=8542 
Total energy=-2.50543702273  Egs=-0.841852055164
Kept: 3252 out of 6000, ratio=0.542
<SaSd>=-1.20462237198e-08
Memory used: 32 MB  Time elapsed: 4 s

 ***** [NRG] Iteration 5/106 (scale 0.2144579009255371) ***** 
[1] xi(4)=0.980132362648 zeta(5)=0
Stats: nr=43 min=1 max=1208 sum3=8048067432
Safeguard: keep additional 3 states
Emax=10.0072879531 nrkept=3182 nrkeptmult=8580 
Total energy=-2.82262206449  Egs=-1.47900842262
Kept: 3182 out of 12330, ratio=0.258
<SaSd>=-2.22194790967e-08
Memory used: 35 MB  Time elapsed: 32 s

 ***** [NRG] Iteration 6/106 (scale 0.15164463602348005) ***** 
[1] xi(5)=0.988164304343 zeta(6)=0
Stats: nr=48 min=1 max=1279 sum3=7634165469
Safeguard: keep additional 1 states
Emax=10.0280288341 nrkept=2873 nrkeptmult=7896 
Total energy=-2.95447907616  Egs=-0.869513192943
Kept: 2873 out of 12099, ratio=0.237
<SaSd>=-3.76619497356e-08
Memory used: 33 MB  Time elapsed: 59 s

 ***** [NRG] Iteration 7/106 (scale 0.10722895046276855) ***** 
[1] xi(6)=0.993732382824 zeta(7)=0
Stats: nr=47 min=1 max=1112 sum3=5762441792
Safeguard: keep additional 7 states
Emax=10.0012745959 nrkept=2054 nrkeptmult=5716 
Total energy=-3.11378815914  Egs=-1.4856909659
Kept: 2054 out of 10934, ratio=0.188
<SaSd>=-5.89982816674e-08
Memory used: 28 MB  Time elapsed: 80 s

 ***** [NRG] Iteration 8/106 (scale 0.075822318011740025) ***** 
[1] xi(7)=0.996801670793 zeta(8)=0
Stats: nr=46 min=1 max=837 sum3=2189760595
Safeguard: keep additional 1 states
Emax=10.0015301999 nrkept=1953 nrkeptmult=5680 
Total energy=-3.18076798225  Egs=-0.883378731523
Kept: 1953 out of 7831, ratio=0.249
<SaSd>=-8.77747277952e-08
Memory used: 26 MB  Time elapsed: 88 s

 ***** [NRG] Iteration 9/106 (scale 0.053614475231384275) ***** 
[1] xi(8)=0.998386814476 zeta(9)=0
Stats: nr=47 min=1 max=772 sum3=1781733794
Safeguard: keep additional 3 states
Emax=10.0037837526 nrkept=1548 nrkeptmult=4476 
Total energy=-3.2603333914  Egs=-1.48402849812
Kept: 1548 out of 7484, ratio=0.207
<SaSd>=-1.27557905699e-07
Memory used: 26 MB  Time elapsed: 94 s

 ***** [NRG] Iteration 10/106 (scale 0.037911159005870013) ***** 
[1] xi(9)=0.999190082691 zeta(10)=0
Stats: nr=46 min=1 max=613 sum3=906777671
Safeguard: keep additional 3 states
Emax=10.0105066435 nrkept=1769 nrkeptmult=5208 
Total energy=-3.29409242646  Egs=-0.890477525465
Kept: 1769 out of 5927, ratio=0.298
<SaSd>=-1.83107292165e-07
Memory used: 26 MB  Time elapsed: 98 s

 ***** [NRG] Iteration 11/106 (scale 0.026807237615692137) ***** 
[1] xi(10)=0.999594228576 zeta(11)=0
Stats: nr=45 min=1 max=700 sum3=1309745332
Safeguard: keep additional 5 states
Emax=10.0004795122 nrkept=1506 nrkeptmult=4364 
Total energy=-3.33373187886  Egs=-1.47868471084
Kept: 1506 out of 6790, ratio=0.222
<SaSd>=-2.61635738639e-07
Memory used: 25 MB  Time elapsed: 103 s

 ***** [NRG] Iteration 12/106 (scale 0.018955579502935006) ***** 
[1] xi(11)=0.999796913201 zeta(12)=0
Stats: nr=46 min=1 max=592 sum3=827838957
Safeguard: keep additional 1 states
Emax=10.0035081746 nrkept=1735 nrkeptmult=5034 
Total energy=-3.35072263831  Egs=-0.896346083444
Kept: 1735 out of 5763, ratio=0.301
<SaSd>=-3.72157980918e-07
Memory used: 26 MB  Time elapsed: 106 s

 ***** [NRG] Iteration 13/106 (scale 0.013403618807846069) ***** 
[1] xi(12)=0.999898406582 zeta(13)=0
Stats: nr=41 min=1 max=695 sum3=1278075384
Safeguard: keep additional 3 states
Emax=10.0014589023 nrkept=1470 nrkeptmult=4252 
Total energy=-3.37044834712  Egs=-1.47167038171
Kept: 1470 out of 6654, ratio=0.221
<SaSd>=-5.28079739852e-07
Memory used: 26 MB  Time elapsed: 111 s

 ***** [NRG] Iteration 14/106 (scale 0.0094777897514675032) ***** 
[1] xi(13)=0.999949190818 zeta(14)=0
Stats: nr=46 min=1 max=580 sum3=774899429
Safeguard: keep additional 3 states
Emax=10.0002137139 nrkept=1721 nrkeptmult=4976 
Total energy=-3.37900216796  Egs=-0.902512196208
Kept: 1721 out of 5627, ratio=0.306
<SaSd>=-7.47496555558e-07
Memory used: 28 MB  Time elapsed: 114 s

 ***** [NRG] Iteration 15/106 (scale 0.0067018094039230343) ***** 
[1] xi(14)=0.999974592294 zeta(15)=0
Stats: nr=41 min=1 max=690 sum3=1254173440
Safeguard: keep additional 1 states
Emax=10.0032192918 nrkept=1446 nrkeptmult=4168 
Total energy=-3.38881005056  Egs=-1.46346785051
Kept: 1446 out of 6598, ratio=0.219
<SaSd>=-1.05735469297e-06
Memory used: 28 MB  Time elapsed: 119 s

 ***** [NRG] Iteration 16/106 (scale 0.0047388948757337516) ***** 
[1] xi(15)=0.999987295369 zeta(16)=0
Stats: nr=46 min=1 max=574 sum3=741648677
Safeguard: keep additional 3 states
Emax=10.0041718024 nrkept=1705 nrkeptmult=4912 
Total energy=-3.39311972714  Egs=-0.90942649897
Kept: 1705 out of 5531, ratio=0.308
<SaSd>=-1.49251073996e-06
Memory used: 29 MB  Time elapsed: 122 s

 ***** [NRG] Iteration 17/106 (scale 0.0033509047019615172) ***** 
[1] xi(16)=0.99999364749 zeta(17)=0
Stats: nr=41 min=1 max=684 sum3=1224801168
Safeguard: keep additional 1 states
Emax=10.0108266195 nrkept=1446 nrkeptmult=4168 
Total energy=-3.39799226537  Egs=-1.4540963301
Kept: 1446 out of 6534, ratio=0.221
<SaSd>=-2.1065759747e-06
Memory used: 28 MB  Time elapsed: 127 s

 ***** [NRG] Iteration 18/106 (scale 0.0023694474378668758) ***** 
[1] xi(17)=0.999996823696 zeta(18)=0
Stats: nr=46 min=1 max=574 sum3=741648677
Safeguard: keep additional 4 states
Emax=10.0023435868 nrkept=1682 nrkeptmult=4818 
Total energy=-3.40016578259  Egs=-0.917309742857
Kept: 1682 out of 5531, ratio=0.304
<SaSd>=-7.35855218093e-06
Memory used: 30 MB  Time elapsed: 130 s

 ***** [NRG] Iteration 19/106 (scale 0.0016754523509807586) ***** 
[1] xi(18)=0.999998411836 zeta(19)=0
Stats: nr=41 min=1 max=677 sum3=1188224434
Safeguard: keep additional 1 states
Emax=10.002232512 nrkept=1434 nrkeptmult=4128 
Total energy=-3.40258414993  Egs=-1.443411587
Kept: 1434 out of 6442, ratio=0.223
<SaSd>=-6.38709316889e-06
Memory used: 29 MB  Time elapsed: 135 s

 ***** [NRG] Iteration 20/106 (scale 0.0011847237189334379) ***** 
[1] xi(19)=0.999999205915 zeta(20)=0
Stats: nr=46 min=1 max=571 sum3=724805459
Emax=10.0062146105 nrkept=1662 nrkeptmult=4762 
Total energy=-3.4036816402  Egs=-0.926368109273
Kept: 1662 out of 5483, ratio=0.303
<SaSd>=-6.78028592847e-06
Memory used: 31 MB  Time elapsed: 138 s

 ***** [NRG] Iteration 21/106 (scale 0.00083772617549037929) ***** 
[1] xi(20)=0.999999602957 zeta(21)=0
Stats: nr=41 min=1 max=669 sum3=1145396258
Safeguard: keep additional 1 states
Emax=10.0059885391 nrkept=1434 nrkeptmult=4128 
Total energy=-3.4048805777  Egs=-1.43118066594
Kept: 1434 out of 6362, ratio=0.225
<SaSd>=-1.04643636804e-05
Memory used: 30 MB  Time elapsed: 142 s

 ***** [NRG] Iteration 22/106 (scale 0.00059236185946671895) ***** 
[1] xi(21)=0.999999801478 zeta(22)=0
Stats: nr=46 min=1 max=571 sum3=724805459
Safeguard: keep additional 3 states
Emax=10.0044007897 nrkept=1637 nrkeptmult=4660 
Total energy=-3.40543553354  Egs=-0.936852749561
Kept: 1637 out of 5483, ratio=0.299
<SaSd>=-1.62021556683e-05
Memory used: 31 MB  Time elapsed: 145 s

 ***** [NRG] Iteration 23/106 (scale 0.00041886308774518965) ***** 
[1] xi(22)=0.999999900739 zeta(23)=0
Stats: nr=41 min=1 max=660 sum3=1103773960
Safeguard: keep additional 2 states
Emax=10.0024400281 nrkept=1429 nrkeptmult=4109 
Total energy=-3.4060291015  Egs=-1.41709301408
Kept: 1429 out of 6262, ratio=0.228
<SaSd>=-2.03079117971e-05
Memory used: 30 MB  Time elapsed: 150 s

 ***** [NRG] Iteration 24/106 (scale 0.00029618092973335947) ***** 
[1] xi(23)=0.99999995037 zeta(24)=0
Stats: nr=46 min=1 max=569 sum3=718525071
Safeguard: keep additional 1 states
Emax=10.0190673657 nrkept=1631 nrkeptmult=4638 
Total energy=-3.4063102026  Egs=-0.949085756999
Kept: 1631 out of 5463, ratio=0.299
<SaSd>=-2.52418656209e-05
Memory used: 31 MB  Time elapsed: 152 s

 ***** [NRG] Iteration 25/106 (scale 0.00020943154387259482) ***** 
[1] xi(24)=0.999999975185 zeta(25)=0
Stats: nr=41 min=1 max=658 sum3=1094142808
Emax=10.0066695798 nrkept=1425 nrkeptmult=4095 
Total energy=-3.4066035641  Egs=-1.40075128434
Kept: 1425 out of 6238, ratio=0.228
<SaSd>=-3.37019228646e-05
Memory used: 31 MB  Time elapsed: 157 s

 ***** [NRG] Iteration 26/106 (scale 0.00014809046486667974) ***** 
[1] xi(25)=0.999999987592 zeta(26)=0
Stats: nr=46 min=1 max=568 sum3=711952823
Safeguard: keep additional 1 states
Emax=10.0003689549 nrkept=1575 nrkeptmult=4482 
Total energy=-3.40674624671  Egs=-0.963482721455
Kept: 1575 out of 5447, ratio=0.289
<SaSd>=-4.66001240998e-05
Memory used: 32 MB  Time elapsed: 159 s

 ***** [NRG] Iteration 27/106 (scale 0.00010471577193629741) ***** 
[1] xi(26)=0.999999993796 zeta(27)=0
Stats: nr=41 min=1 max=634 sum3=982591718
Emax=10.0147961056 nrkept=1425 nrkeptmult=4095 
Total energy=-3.4068909277  Egs=-1.38165427411
Kept: 1425 out of 6020, ratio=0.237
<SaSd>=-6.50387506631e-05
Memory used: 31 MB  Time elapsed: 164 s

 ***** [NRG] Iteration 28/106 (scale 7.4045232433339868e-05) ***** 
[1] xi(27)=0.999999996898 zeta(28)=0
Stats: nr=46 min=1 max=568 sum3=711952823
Safeguard: keep additional 1 states
Emax=10.0058348532 nrkept=1563 nrkeptmult=4450 
Total energy=-3.40696353488  Egs=-0.98057871675
Kept: 1563 out of 5447, ratio=0.287
<SaSd>=-9.05791416865e-05
Memory used: 32 MB  Time elapsed: 166 s

 ***** [NRG] Iteration 29/106 (scale 5.2357885968148706e-05) ***** 
[1] xi(28)=0.999999998449 zeta(29)=0
Stats: nr=41 min=1 max=628 sum3=956212096
Safeguard: keep additional 3 states
Emax=10.0242398023 nrkept=1428 nrkeptmult=4100 
Total energy=-3.40703469858  Egs=-1.35917822767
Kept: 1428 out of 5974, ratio=0.239
<SaSd>=-0.000128630185528
Memory used: 32 MB  Time elapsed: 170 s

 ***** [NRG] Iteration 30/106 (scale 3.7022616216669934e-05) ***** 
[1] xi(29)=0.999999999225 zeta(30)=0
Stats: nr=46 min=1 max=569 sum3=714588935
Safeguard: keep additional 1 states
Emax=10.0001118249 nrkept=1535 nrkeptmult=4362 
Total energy=-3.40707176033  Egs=-1.00105711005
Kept: 1535 out of 5459, ratio=0.281
<SaSd>=-0.000174939385616
Memory used: 32 MB  Time elapsed: 173 s

 ***** [NRG] Iteration 31/106 (scale 2.6178942984074353e-05) ***** 
[1] xi(30)=0.999999999612 zeta(31)=0
Stats: nr=41 min=1 max=621 sum3=917932240
Safeguard: keep additional 3 states
Emax=10.0172221687 nrkept=1428 nrkeptmult=4100 
Total energy=-3.40710664549  Egs=-1.33256564797
Kept: 1428 out of 5872, ratio=0.243
<SaSd>=-0.000246061508561
Memory used: 32 MB  Time elapsed: 177 s

 ***** [NRG] Iteration 32/106 (scale 1.8511308108334967e-05) ***** 
[1] xi(31)=0.999999999806 zeta(32)=0
Stats: nr=46 min=1 max=569 sum3=714588935
Safeguard: keep additional 3 states
Emax=10.0068873059 nrkept=1505 nrkeptmult=4252 
Total energy=-3.40712563391  Egs=-1.02577391307
Kept: 1505 out of 5459, ratio=0.276
<SaSd>=-0.000345101013738
Memory used: 33 MB  Time elapsed: 180 s

 ***** [NRG] Iteration 33/106 (scale 1.3089471492037176e-05) ***** 
[1] xi(32)=0.999999999903 zeta(33)=0
Stats: nr=41 min=1 max=612 sum3=880048246
Safeguard: keep additional 1 states
Emax=10.0101727303 nrkept=1428 nrkeptmult=4108 
Total energy=-3.40714266255  Egs=-1.30094166313
Kept: 1428 out of 5758, ratio=0.248
<SaSd>=-0.000474159658406
Memory used: 33 MB  Time elapsed: 183 s

 ***** [NRG] Iteration 34/106 (scale 9.2556540541674836e-06) ***** 
[1] xi(33)=0.999999999952 zeta(34)=0
Stats: nr=46 min=1 max=569 sum3=714424934
Safeguard: keep additional 2 states
Emax=10.0009699896 nrkept=1493 nrkeptmult=4208 
Total energy=-3.40715243427  Egs=-1.05575719729
Kept: 1493 out of 5462, ratio=0.273
<SaSd>=-0.000658075632843
Memory used: 34 MB  Time elapsed: 186 s

 ***** [NRG] Iteration 35/106 (scale 6.5447357460185882e-06) ***** 
[1] xi(34)=0.999999999976 zeta(35)=0
Stats: nr=41 min=1 max=606 sum3=859185280
Safeguard: keep additional 4 states
Emax=10.0023517692 nrkept=1429 nrkeptmult=4109 
Total energy=-3.4071607029  Egs=-1.2634013416
Kept: 1429 out of 5710, ratio=0.25
<SaSd>=-0.000914132308085
Memory used: 34 MB  Time elapsed: 190 s

 ***** [NRG] Iteration 36/106 (scale 4.6278270270837418e-06) ***** 
[1] xi(35)=0.999999999988 zeta(36)=0
Stats: nr=46 min=1 max=570 sum3=717408036
Safeguard: keep additional 2 states
Emax=10.01429049 nrkept=1474 nrkeptmult=4148 
Total energy=-3.4071657571  Egs=-1.09213288917
Kept: 1474 out of 5466, ratio=0.27
<SaSd>=-0.00126116634009
Memory used: 34 MB  Time elapsed: 193 s

 ***** [NRG] Iteration 37/106 (scale 3.2723678730092941e-06) ***** 
[1] xi(36)=0.999999999994 zeta(37)=0
Stats: nr=41 min=1 max=597 sum3=823295706
Emax=10.0045579934 nrkept=1424 nrkeptmult=4100 
Total energy=-3.40716974694  Egs=-1.21925273203
Kept: 1424 out of 5634, ratio=0.253
<SaSd>=-0.00173301025383
Memory used: 35 MB  Time elapsed: 196 s

 ***** [NRG] Iteration 38/106 (scale 2.3139135135418709e-06) ***** 
[1] xi(37)=0.999999999997 zeta(38)=0
Stats: nr=46 min=1 max=571 sum3=715109355
Safeguard: keep additional 2 states
Emax=10.0053890393 nrkept=1425 nrkeptmult=4008 
Total energy=-3.40717237526  Egs=-1.13587478652
Kept: 1425 out of 5451, ratio=0.261
<SaSd>=-0.00237269926807
Memory used: 35 MB  Time elapsed: 199 s

 ***** [NRG] Iteration 39/106 (scale 1.6361839365046471e-06) ***** 
[1] xi(38)=0.999999999998 zeta(39)=0
Stats: nr=41 min=1 max=576 sum3=741577304
Emax=10.0002022115 nrkept=1420 nrkeptmult=4096 
Total energy=-3.40717428722  Egs=-1.16854845632
Kept: 1420 out of 5444, ratio=0.261
<SaSd>=-0.00322916065887
Memory used: 35 MB  Time elapsed: 202 s

 ***** [NRG] Iteration 40/106 (scale 1.1569567567709354e-06) ***** 
[1] xi(39)=0.999999999999 zeta(40)=0
Stats: nr=46 min=1 max=569 sum3=710587983
Safeguard: keep additional 1 states
Emax=10.0005076316 nrkept=1371 nrkeptmult=3878 
Total energy=-3.40717566077  Egs=-1.18720520429
Kept: 1371 out of 5439, ratio=0.252
<SaSd>=-0.00437344122685
Memory used: 35 MB  Time elapsed: 205 s

 ***** [NRG] Iteration 41/106 (scale 8.1809196825232353e-07) ***** 
[1] xi(40)=1 zeta(41)=0
Stats: nr=41 min=1 max=556 sum3=661847652
Safeguard: keep additional 2 states
Emax=10.0031598367 nrkept=1404 nrkeptmult=4016 
Total energy=-3.4071765713  Egs=-1.11299869192
Kept: 1404 out of 5238, ratio=0.268
<SaSd>=-0.00586626169348
Memory used: 35 MB  Time elapsed: 208 s

 ***** [NRG] Iteration 42/106 (scale 5.7847837838546772e-07) ***** 
[1] xi(41)=1 zeta(42)=0
Stats: nr=44 min=1 max=567 sum3=694045331
Emax=10.0019303104 nrkept=1353 nrkeptmult=3846 
Total energy=-3.40717729121  Egs=-1.24449433292
Kept: 1353 out of 5375, ratio=0.252
<SaSd>=-0.007788028043
Memory used: 36 MB  Time elapsed: 210 s

 ***** [NRG] Iteration 43/106 (scale 4.0904598412616176e-07) ***** 
[1] xi(42)=1 zeta(43)=0
Stats: nr=41 min=1 max=550 sum3=634535216
Safeguard: keep additional 1 states
Emax=10.0000059311 nrkept=1354 nrkeptmult=3836 
Total energy=-3.40717772355  Egs=-1.05694158308
Kept: 1354 out of 5174, ratio=0.262
<SaSd>=-0.0102166210158
Memory used: 35 MB  Time elapsed: 213 s

 ***** [NRG] Iteration 44/106 (scale 2.8923918919273386e-07) ***** 
[1] xi(43)=1 zeta(44)=0
Stats: nr=44 min=1 max=553 sum3=638801263
Safeguard: keep additional 2 states
Emax=10.0037390454 nrkept=1309 nrkeptmult=3698 
Total energy=-3.40717810043  Egs=-1.30300055562
Kept: 1309 out of 5179, ratio=0.253
<SaSd>=-0.0131890306499
Memory used: 35 MB  Time elapsed: 215 s

 ***** [NRG] Iteration 45/106 (scale 2.0452299206308088e-07) ***** 
[1] xi(44)=1 zeta(45)=0
Stats: nr=41 min=1 max=532 sum3=576887250
Safeguard: keep additional 2 states
Emax=10.0019132952 nrkept=1305 nrkeptmult=3661 
Total energy=-3.4071783064  Egs=-1.00707486339
Kept: 1305 out of 5004, ratio=0.261
<SaSd>=-0.0167069272554
Memory used: 35 MB  Time elapsed: 218 s

 ***** [NRG] Iteration 46/106 (scale 1.4461959459636693e-07) ***** 
[1] xi(45)=1 zeta(46)=0
Stats: nr=42 min=2 max=539 sum3=580905392
Emax=10.0063971911 nrkept=1213 nrkeptmult=3372 
Total energy=-3.40717850237  Egs=-1.35505464649
Kept: 1213 out of 4988, ratio=0.243
<SaSd>=-0.0206744872972
Memory used: 35 MB  Time elapsed: 220 s

 ***** [NRG] Iteration 47/106 (scale 1.0226149603154044e-07) ***** 
[1] xi(46)=1 zeta(47)=0
Stats: nr=40 min=1 max=500 sum3=476920830
Emax=10.0016320207 nrkept=1223 nrkeptmult=3391 
Total energy=-3.40717860152  Egs=-0.969623536583
Kept: 1223 out of 4632, ratio=0.264
<SaSd>=-0.0249180106219
Memory used: 37 MB  Time elapsed: 222 s

 ***** [NRG] Iteration 48/106 (scale 7.2309797298183465e-08) ***** 
[1] xi(47)=1 zeta(48)=0
Stats: nr=42 min=1 max=514 sum3=490835537
Safeguard: keep additional 2 states
Emax=10.0213380728 nrkept=1109 nrkeptmult=3024 
Total energy=-3.40717870228  Egs=-1.39342757234
Kept: 1109 out of 4667, ratio=0.238
<SaSd>=-0.029193599432
Memory used: 35 MB  Time elapsed: 223 s

 ***** [NRG] Iteration 49/106 (scale 5.113074801577022e-08) ***** 
[1] xi(48)=1 zeta(49)=0
Stats: nr=40 min=1 max=460 sum3=376611218
Safeguard: keep additional 2 states
Emax=10.0063184518 nrkept=1109 nrkeptmult=3025 
Total energy=-3.40717875069  Egs=-0.946849549945
Kept: 1109 out of 4226, ratio=0.262
<SaSd>=-0.0331599110079
Memory used: 36 MB  Time elapsed: 226 s

 ***** [NRG] Iteration 50/106 (scale 3.6154898649091733e-08) ***** 
[1] xi(49)=1 zeta(50)=0
Stats: nr=42 min=1 max=472 sum3=372355691
Emax=10.0074272066 nrkept=1015 nrkeptmult=2734 
Total energy=-3.40717880187  Egs=-1.41553665562
Kept: 1015 out of 4223, ratio=0.24
<SaSd>=-0.036610605431
Memory used: 37 MB  Time elapsed: 227 s

 ***** [NRG] Iteration 51/106 (scale 2.556537400788511e-08) ***** 
[1] xi(50)=1 zeta(51)=0
Stats: nr=40 min=1 max=419 sum3=290712196
Safeguard: keep additional 1 states
Emax=10.0120030263 nrkept=1009 nrkeptmult=2705 
Total energy=-3.40717882582  Egs=-0.936804343399
Kept: 1009 out of 3862, ratio=0.261
<SaSd>=-0.0393985704395
Memory used: 37 MB  Time elapsed: 228 s

 ***** [NRG] Iteration 52/106 (scale 1.8077449324545866e-08) ***** 
[1] xi(51)=1 zeta(52)=0
Stats: nr=40 min=1 max=431 sum3=282575529
Safeguard: keep additional 1 states
Emax=10.0084235215 nrkept=921 nrkeptmult=2444 
Total energy=-3.40717885156  Egs=-1.4236428675
Kept: 921 out of 3837, ratio=0.24
<SaSd>=-0.0415558316108
Memory used: 37 MB  Time elapsed: 230 s

 ***** [NRG] Iteration 53/106 (scale 1.2782687003942555e-08) ***** 
[1] xi(52)=1 zeta(53)=0
Stats: nr=40 min=1 max=385 sum3=225632708
Emax=10.0020476289 nrkept=989 nrkeptmult=2641 
Total energy=-3.40717886352  Egs=-0.935917088506
Kept: 989 out of 3500, ratio=0.283
<SaSd>=-0.0431480871184
Memory used: 36 MB  Time elapsed: 231 s

 ***** [NRG] Iteration 54/106 (scale 9.0387246622729332e-09) ***** 
[1] xi(53)=1 zeta(54)=0
Stats: nr=40 min=1 max=423 sum3=265476748
Emax=10.0502384763 nrkept=883 nrkeptmult=2334 
Total energy=-3.40717887637  Egs=-1.4217213199
Kept: 883 out of 3760, ratio=0.235
<SaSd>=-0.0443494742855
Memory used: 37 MB  Time elapsed: 232 s

 ***** [NRG] Iteration 55/106 (scale 6.3913435019712775e-09) ***** 
[1] xi(54)=1 zeta(55)=0
Stats: nr=40 min=1 max=365 sum3=195505266
Emax=10.3343849489 nrkept=989 nrkeptmult=2641 
Total energy=-3.40717888239  Egs=-0.941160806237
Kept: 989 out of 3354, ratio=0.295
<SaSd>=-0.0452347549983
Memory used: 36 MB  Time elapsed: 233 s

 ***** [NRG] Iteration 56/106 (scale 4.5193623311364666e-09) ***** 
[1] xi(55)=1 zeta(56)=0
Stats: nr=40 min=1 max=423 sum3=265476748
Safeguard: keep additional 1 states
Emax=10.0014184286 nrkept=870 nrkeptmult=2308 
Total energy=-3.40717888877  Egs=-1.41302034388
Kept: 870 out of 3760, ratio=0.231
<SaSd>=-0.0459197174624
Memory used: 38 MB  Time elapsed: 234 s

 ***** [NRG] Iteration 57/106 (scale 3.1956717509856388e-09) ***** 
[1] xi(56)=1 zeta(57)=0
Stats: nr=40 min=1 max=362 sum3=188410990
Emax=10.0051839915 nrkept=958 nrkeptmult=2502 
Total energy=-3.40717889181  Egs=-0.95070137388
Kept: 958 out of 3310, ratio=0.289
<SaSd>=-0.0464552536738
Memory used: 37 MB  Time elapsed: 235 s

 ***** [NRG] Iteration 58/106 (scale 2.2596811655682333e-09) ***** 
[1] xi(57)=1 zeta(58)=0
Stats: nr=34 min=1 max=421 sum3=256434103
Emax=10.0158256425 nrkept=830 nrkeptmult=2154 
Total energy=-3.40717889497  Egs=-1.39942861204
Kept: 830 out of 3637, ratio=0.228
<SaSd>=-0.0468765519896
Memory used: 37 MB  Time elapsed: 236 s

 ***** [NRG] Iteration 59/106 (scale 1.5978358754928194e-09) ***** 
[1] xi(58)=1 zeta(59)=0
Stats: nr=40 min=1 max=346 sum3=169712810
Safeguard: keep additional 1 states
Emax=10.000201712 nrkept=911 nrkeptmult=2317 
Total energy=-3.40717889651  Egs=-0.96373179172
Kept: 911 out of 3152, ratio=0.289
<SaSd>=-0.0472205627423
Memory used: 37 MB  Time elapsed: 237 s

 ***** [NRG] Iteration 60/106 (scale 1.1298405827841166e-09) ***** 
[1] xi(59)=1 zeta(60)=0
Stats: nr=34 min=1 max=415 sum3=230189057
Safeguard: keep additional 3 states
Emax=10.0005558864 nrkept=807 nrkeptmult=2082 
Total energy=-3.40717889808  Egs=-1.38171445384
Kept: 807 out of 3449, ratio=0.234
<SaSd>=-0.0474968090142
Memory used: 38 MB  Time elapsed: 238 s

 ***** [NRG] Iteration 61/106 (scale 7.9891793774640969e-10) ***** 
[1] xi(60)=1 zeta(61)=0
Stats: nr=40 min=1 max=333 sum3=155658570
Emax=10.0009459 nrkept=887 nrkeptmult=2247 
Total energy=-3.40717889886  Egs=-0.98016403305
Kept: 887 out of 3060, ratio=0.29
<SaSd>=-0.0477289636997
Memory used: 37 MB  Time elapsed: 238 s

 ***** [NRG] Iteration 62/106 (scale 5.6492029139205832e-10) ***** 
[1] xi(61)=1 zeta(62)=0
Stats: nr=34 min=1 max=405 sum3=210142793
Safeguard: keep additional 1 states
Emax=10.0058691907 nrkept=798 nrkeptmult=2052 
Total energy=-3.40717889963  Egs=-1.35988210342
Kept: 798 out of 3353, ratio=0.238
<SaSd>=-0.0479197884954
Memory used: 37 MB  Time elapsed: 239 s

 ***** [NRG] Iteration 63/106 (scale 3.9945896887320485e-10) ***** 
[1] xi(62)=1 zeta(63)=0
Stats: nr=40 min=1 max=328 sum3=150950544
Safeguard: keep additional 1 states
Emax=10.0078193036 nrkept=874 nrkeptmult=2216 
Total energy=-3.40717890003  Egs=-1.00041854365
Kept: 874 out of 3024, ratio=0.289
<SaSd>=-0.0480826556237
Memory used: 37 MB  Time elapsed: 240 s

 ***** [NRG] Iteration 64/106 (scale 2.8246014569602916e-10) ***** 
[1] xi(63)=1 zeta(64)=0
Stats: nr=34 min=1 max=396 sum3=198111559
Safeguard: keep additional 3 states
Emax=10.0107561881 nrkept=800 nrkeptmult=2058 
Total energy=-3.4071789004  Egs=-1.33341281876
Kept: 800 out of 3301, ratio=0.242
<SaSd>=-0.0482191539811
Memory used: 38 MB  Time elapsed: 241 s

 ***** [NRG] Iteration 65/106 (scale 1.9972948443660242e-10) ***** 
[1] xi(64)=1 zeta(65)=0
Stats: nr=40 min=1 max=328 sum3=151265060
Safeguard: keep additional 1 states
Emax=10.0109731569 nrkept=854 nrkeptmult=2144 
Total energy=-3.40717890061  Egs=-1.02533116945
Kept: 854 out of 3032, ratio=0.282
<SaSd>=-0.0483373156817
Memory used: 37 MB  Time elapsed: 241 s

 ***** [NRG] Iteration 66/106 (scale 1.4123007284801458e-10) ***** 
[1] xi(65)=1 zeta(66)=0
Stats: nr=34 min=1 max=388 sum3=187828061
Safeguard: keep additional 1 states
Emax=10.0043317507 nrkept=799 nrkeptmult=2058 
Total energy=-3.40717890079  Egs=-1.30139496786
Kept: 799 out of 3221, ratio=0.248
<SaSd>=-0.0484377195349
Memory used: 38 MB  Time elapsed: 242 s

 ***** [NRG] Iteration 67/106 (scale 9.9864742218301212e-11) ***** 
[1] xi(66)=1 zeta(67)=0
Stats: nr=40 min=1 max=329 sum3=150801904
Safeguard: keep additional 1 states
Emax=10.0195699932 nrkept=846 nrkeptmult=2112 
Total energy=-3.4071789009  Egs=-1.05613650377
Kept: 846 out of 3028, ratio=0.279
<SaSd>=-0.0485259084728
Memory used: 37 MB  Time elapsed: 243 s

 ***** [NRG] Iteration 68/106 (scale 7.061503642400729e-11) ***** 
[1] xi(67)=1 zeta(68)=0
Stats: nr=34 min=1 max=388 sum3=184673379
Safeguard: keep additional 4 states
Emax=10.0002193487 nrkept=803 nrkeptmult=2062 
Total energy=-3.40717890099  Egs=-1.2626146348
Kept: 803 out of 3189, ratio=0.252
<SaSd>=-0.0486021550325
Memory used: 38 MB  Time elapsed: 244 s

 ***** [NRG] Iteration 69/106 (scale 4.9932371109150606e-11) ***** 
[1] xi(68)=1 zeta(69)=0
Stats: nr=40 min=1 max=329 sum3=152093314
Safeguard: keep additional 2 states
Emax=10.0116216996 nrkept=834 nrkeptmult=2080 
Total energy=-3.40717890104  Egs=-1.09446499067
Kept: 834 out of 3040, ratio=0.274
<SaSd>=-0.0486700071544
Memory used: 38 MB  Time elapsed: 245 s

 ***** [NRG] Iteration 70/106 (scale 3.5307518212003645e-11) ***** 
[1] xi(69)=1 zeta(70)=0
Stats: nr=34 min=1 max=384 sum3=177231481
Emax=10.0001660078 nrkept=804 nrkeptmult=2062 
Total energy=-3.40717890108  Egs=-1.21572010978
Kept: 804 out of 3145, ratio=0.256
<SaSd>=-0.0487297086725
Memory used: 38 MB  Time elapsed: 245 s

 ***** [NRG] Iteration 71/106 (scale 2.4966185554575303e-11) ***** 
[1] xi(70)=1 zeta(71)=0
Stats: nr=40 min=1 max=330 sum3=153740638
Safeguard: keep additional 1 states
Emax=10.0004887344 nrkept=804 nrkeptmult=2004 
Total energy=-3.40717890111  Egs=-1.14223843997
Kept: 804 out of 3040, ratio=0.264
<SaSd>=-0.0487835079552
Memory used: 38 MB  Time elapsed: 246 s

 ***** [NRG] Iteration 72/106 (scale 1.7653759106001823e-11) ***** 
[1] xi(71)=1 zeta(72)=0
Stats: nr=34 min=1 max=372 sum3=159068438
Emax=10.006509895 nrkept=801 nrkeptmult=2056 
Total energy=-3.40717890113  Egs=-1.15965728555
Kept: 801 out of 3032, ratio=0.264
<SaSd>=-0.0488315528271
Memory used: 38 MB  Time elapsed: 247 s

 ***** [NRG] Iteration 73/106 (scale 1.2483092777287651e-11) ***** 
[1] xi(72)=1 zeta(73)=0
Stats: nr=40 min=1 max=329 sum3=151589632
Safeguard: keep additional 1 states
Emax=10.0085008448 nrkept=776 nrkeptmult=1948 
Total energy=-3.40717890115  Egs=-1.20121767362
Kept: 776 out of 3028, ratio=0.256
<SaSd>=-0.0488752991131
Memory used: 38 MB  Time elapsed: 247 s

 ***** [NRG] Iteration 74/106 (scale 8.8268795530009113e-12) ***** 
[1] xi(73)=1 zeta(74)=0
Stats: nr=34 min=1 max=358 sum3=143068099
Safeguard: keep additional 3 states
Emax=10.0060137348 nrkept=797 nrkeptmult=2022 
Total energy=-3.40717890116  Egs=-1.09467967502
Kept: 797 out of 2929, ratio=0.272
<SaSd>=-0.0489148202342
Memory used: 39 MB  Time elapsed: 248 s

 ***** [NRG] Iteration 75/106 (scale 6.2415463886438257e-12) ***** 
[1] xi(74)=1 zeta(75)=0
Stats: nr=38 min=1 max=326 sum3=149796164
Safeguard: keep additional 2 states
Emax=10.0344928275 nrkept=767 nrkeptmult=1931 
Total energy=-3.40717890117  Egs=-1.27176708209
Kept: 767 out of 3008, ratio=0.255
<SaSd>=-0.0489508171648
Memory used: 39 MB  Time elapsed: 248 s

 ***** [NRG] Iteration 76/106 (scale 4.4134397765004556e-12) ***** 
[1] xi(75)=1 zeta(76)=0
Stats: nr=34 min=1 max=351 sum3=136794230
Safeguard: keep additional 1 states
Emax=10.0013520013 nrkept=774 nrkeptmult=1944 
Total energy=-3.40717890117  Egs=-1.02405816682
Kept: 774 out of 2894, ratio=0.267
<SaSd>=-0.0489833680638
Memory used: 39 MB  Time elapsed: 249 s

 ***** [NRG] Iteration 77/106 (scale 3.1207731943219129e-12) ***** 
[1] xi(76)=1 zeta(77)=0
Stats: nr=38 min=1 max=321 sum3=142008010
Safeguard: keep additional 3 states
Emax=10.0143366415 nrkept=746 nrkeptmult=1878 
Total energy=-3.40717890117  Egs=-1.35056434985
Kept: 746 out of 2920, ratio=0.255
<SaSd>=-0.0490125809472
Memory used: 39 MB  Time elapsed: 250 s

 ***** [NRG] Iteration 78/106 (scale 2.2067198882502278e-12) ***** 
[1] xi(77)=1 zeta(78)=0
Stats: nr=34 min=1 max=341 sum3=125836593
Safeguard: keep additional 1 states
Emax=10.0063850377 nrkept=750 nrkeptmult=1882 
Total energy=-3.40717890118  Egs=-0.955308782418
Kept: 750 out of 2817, ratio=0.266
<SaSd>=-0.0490383465394
Memory used: 39 MB  Time elapsed: 251 s

 ***** [NRG] Iteration 79/106 (scale 1.5603865971609564e-12) ***** 
[1] xi(78)=1 zeta(79)=0
Stats: nr=38 min=1 max=313 sum3=130139838
Safeguard: keep additional 2 states
Emax=10.009325937 nrkept=691 nrkeptmult=1707 
Total energy=-3.40717890118  Egs=-1.42871898675
Kept: 691 out of 2832, ratio=0.244
<SaSd>=-0.0490605579693
Memory used: 40 MB  Time elapsed: 251 s

 ***** [NRG] Iteration 80/106 (scale 1.1033599441251139e-12) ***** 
[1] xi(79)=1 zeta(80)=0
Stats: nr=33 min=1 max=324 sum3=105704523
Safeguard: keep additional 3 states
Emax=10.0194339254 nrkept=709 nrkeptmult=1744 
Total energy=-3.40717890118  Egs=-0.897840947909
Kept: 709 out of 2607, ratio=0.272
<SaSd>=-0.0490788715199
Memory used: 39 MB  Time elapsed: 252 s

 ***** [NRG] Iteration 81/106 (scale 7.8019329858047822e-13) ***** 
[1] xi(80)=1 zeta(81)=0
Stats: nr=36 min=1 max=296 sum3=113592734
Emax=10.0004135271 nrkept=629 nrkeptmult=1531 
Total energy=-3.40717890118  Egs=-1.49452875381
Kept: 629 out of 2672, ratio=0.235
<SaSd>=-0.0490933603495
Memory used: 39 MB  Time elapsed: 252 s

 ***** [NRG] Iteration 82/106 (scale 5.5167997206255696e-13) ***** 
[1] xi(81)=1 zeta(82)=0
Stats: nr=33 min=1 max=301 sum3=81501084
Safeguard: keep additional 1 states
Emax=10.000342685 nrkept=654 nrkeptmult=1582 
Total energy=-3.40717890118  Egs=-0.857053477839
Kept: 654 out of 2370, ratio=0.276
<SaSd>=-0.0491040321565
Memory used: 39 MB  Time elapsed: 253 s

 ***** [NRG] Iteration 83/106 (scale 3.9009664929023911e-13) ***** 
[1] xi(82)=1 zeta(83)=0
Stats: nr=36 min=1 max=275 sum3=90638818
Safeguard: keep additional 2 states
Emax=10.0584563009 nrkept=581 nrkeptmult=1383 
Total energy=-3.40717890118  Egs=-1.54110412357
Kept: 581 out of 2458, ratio=0.236
<SaSd>=-0.0491114402918
Memory used: 39 MB  Time elapsed: 253 s

 ***** [NRG] Iteration 84/106 (scale 2.7583998603127848e-13) ***** 
[1] xi(83)=1 zeta(84)=0
Stats: nr=33 min=1 max=283 sum3=65536626
Safeguard: keep additional 1 states
Emax=10.0420085936 nrkept=589 nrkeptmult=1402 
Total energy=-3.40717890118  Egs=-0.831795795485
Kept: 589 out of 2178, ratio=0.27
<SaSd>=-0.0491161659028
Memory used: 39 MB  Time elapsed: 253 s

 ***** [NRG] Iteration 85/106 (scale 1.9504832464511955e-13) ***** 
[1] xi(84)=1 zeta(85)=0
Stats: nr=36 min=1 max=251 sum3=67223648
Emax=10.0042952835 nrkept=523 nrkeptmult=1227 
Total energy=-3.40717890118  Egs=-1.56971071402
Kept: 523 out of 2210, ratio=0.237
<SaSd>=-0.0491190063459
Memory used: 40 MB  Time elapsed: 254 s

 ***** [NRG] Iteration 86/106 (scale 1.3791999301563924e-13) ***** 
[1] xi(85)=1 zeta(86)=0
Stats: nr=33 min=1 max=257 sum3=48651854
Emax=10.107230082 nrkept=567 nrkeptmult=1322 
Total energy=-3.40717890118  Egs=-0.817544982872
Kept: 567 out of 1958, ratio=0.29
<SaSd>=-0.0491205936818
Memory used: 40 MB  Time elapsed: 254 s

 ***** [NRG] Iteration 87/106 (scale 9.7524162322559777e-14) ***** 
[1] xi(86)=1 zeta(87)=0
Stats: nr=34 min=1 max=244 sum3=61218744
Safeguard: keep additional 1 states
Emax=10.0504336304 nrkept=501 nrkeptmult=1157 
Total energy=-3.40717890118  Egs=-1.58571417059
Kept: 501 out of 2124, ratio=0.236
<SaSd>=-0.0491214556256
Memory used: 40 MB  Time elapsed: 254 s

 ***** [NRG] Iteration 88/106 (scale 6.8959996507819619e-14) ***** 
[1] xi(87)=1 zeta(88)=0
Stats: nr=33 min=1 max=245 sum3=42665008
Emax=10.5612194809 nrkept=567 nrkeptmult=1322 
Total energy=-3.40717890118  Egs=-0.809941253959
Kept: 567 out of 1870, ratio=0.303
<SaSd>=-0.049121899988
Memory used: 40 MB  Time elapsed: 255 s

 ***** [NRG] Iteration 89/106 (scale 4.8762081161279888e-14) ***** 
[1] xi(88)=1 zeta(89)=0
Stats: nr=34 min=1 max=244 sum3=61218744
Safeguard: keep additional 1 states
Emax=10.2616806035 nrkept=499 nrkeptmult=1149 
Total energy=-3.40717890118  Egs=-1.59419911828
Kept: 499 out of 2124, ratio=0.235
<SaSd>=-0.0491221306844
Memory used: 40 MB  Time elapsed: 255 s

 ***** [NRG] Iteration 90/106 (scale 3.447999825390981e-14) ***** 
[1] xi(89)=1 zeta(90)=0
Stats: nr=33 min=1 max=245 sum3=42367736
Emax=10.6962870261 nrkept=567 nrkeptmult=1322 
Total energy=-3.40717890118  Egs=-0.806008387728
Kept: 567 out of 1862, ratio=0.305
<SaSd>=-0.0491222459329
Memory used: 40 MB  Time elapsed: 255 s

 ***** [NRG] Iteration 91/106 (scale 2.4381040580639944e-14) ***** 
[1] xi(90)=1 zeta(91)=0
Stats: nr=34 min=1 max=244 sum3=61218744
Safeguard: keep additional 1 states
Emax=10.4364283276 nrkept=499 nrkeptmult=1149 
Total energy=-3.40717890118  Egs=-1.59857053593
Kept: 499 out of 2124, ratio=0.235
<SaSd>=-0.0491223047857
Memory used: 40 MB  Time elapsed: 256 s

 ***** [NRG] Iteration 92/106 (scale 1.7239999126954905e-14) ***** 
[1] xi(91)=1 zeta(92)=0
Stats: nr=33 min=1 max=245 sum3=42367736
Emax=10.7682124458 nrkept=567 nrkeptmult=1322 
Total energy=-3.40717890118  Egs=-0.804007569272
Kept: 567 out of 1862, ratio=0.305
<SaSd>=-0.0491223339235
Memory used: 41 MB  Time elapsed: 256 s

 ***** [NRG] Iteration 93/106 (scale 1.2190520290319972e-14) ***** 
[1] xi(92)=1 zeta(93)=0
Stats: nr=34 min=1 max=244 sum3=61218744
Emax=10.5052241477 nrkept=498 nrkeptmult=1142 
Total energy=-3.40717890118  Egs=-1.60078955638
Kept: 498 out of 2124, ratio=0.234
<SaSd>=-0.0491223487326
Memory used: 40 MB  Time elapsed: 256 s

 ***** [NRG] Iteration 94/106 (scale 8.6199995634774524e-15) ***** 
[1] xi(93)=1 zeta(94)=0
Stats: nr=33 min=1 max=246 sum3=42402345
Emax=10.8050212807 nrkept=567 nrkeptmult=1322 
Total energy=-3.40717890118  Egs=-0.802998343215
Kept: 567 out of 1857, ratio=0.305
<SaSd>=-0.0491223560375
Memory used: 40 MB  Time elapsed: 256 s

 ***** [NRG] Iteration 95/106 (scale 6.0952601451599861e-15) ***** 
[1] xi(94)=1 zeta(95)=0
Stats: nr=34 min=1 max=244 sum3=61218744
Emax=10.51559838 nrkept=498 nrkeptmult=1142 
Total energy=-3.40717890118  Egs=-1.60190753275
Kept: 498 out of 2124, ratio=0.234
<SaSd>=-0.0491223597477
Memory used: 39 MB  Time elapsed: 257 s

 ***** [NRG] Iteration 96/106 (scale 4.3099997817387262e-15) ***** 
[1] xi(95)=1 zeta(96)=0
Stats: nr=33 min=1 max=246 sum3=42402345
Emax=10.8235018765 nrkept=567 nrkeptmult=1322 
Total energy=-3.40717890118  Egs=-0.802491497266
Kept: 567 out of 1857, ratio=0.305
<SaSd>=-0.0491223615769
Memory used: 40 MB  Time elapsed: 257 s

 ***** [NRG] Iteration 97/106 (scale 3.047630072579993e-15) ***** 
[1] xi(96)=1 zeta(97)=0
Stats: nr=34 min=1 max=244 sum3=61218744
Emax=10.5208227359 nrkept=498 nrkeptmult=1142 
Total energy=-3.40717890118  Egs=-1.602468655
Kept: 498 out of 2124, ratio=0.234
<SaSd>=-0.0491223625054
Memory used: 40 MB  Time elapsed: 257 s

 ***** [NRG] Iteration 98/106 (scale 2.1549998908693631e-15) ***** 
[1] xi(97)=1 zeta(98)=0
Stats: nr=33 min=1 max=246 sum3=42402345
Emax=10.8316320905 nrkept=567 nrkeptmult=1324 
Total energy=-3.40717890118  Egs=-0.802237512401
Kept: 567 out of 1857, ratio=0.305
<SaSd>=-0.0491223629631
Memory used: 40 MB  Time elapsed: 257 s

 ***** [NRG] Iteration 99/106 (scale 1.5238150362899965e-15) ***** 
[1] xi(98)=1 zeta(99)=0
Stats: nr=34 min=1 max=243 sum3=60833952
Emax=10.5234550874 nrkept=498 nrkeptmult=1142 
Total energy=-3.40717890118  Egs=-1.60274975185
Kept: 498 out of 2124, ratio=0.234
<SaSd>=-0.0491223631954
Memory used: 40 MB  Time elapsed: 258 s

 ***** [NRG] Iteration 100/106 (scale 1.0774999454346816e-15) ***** 
[1] xi(99)=1 zeta(100)=0
Stats: nr=33 min=1 max=246 sum3=42402345
Emax=10.8346422327 nrkept=567 nrkeptmult=1324 
Total energy=-3.40717890118  Egs=-0.802110379036
Kept: 567 out of 1857, ratio=0.305
<SaSd>=-0.0491223633099
Memory used: 40 MB  Time elapsed: 258 s

 ***** [NRG] Iteration 101/106 (scale 7.6190751814499826e-16) ***** 
[1] xi(100)=1 zeta(101)=0
Stats: nr=34 min=1 max=243 sum3=60833952
Emax=10.5247686757 nrkept=498 nrkeptmult=1142 
Total energy=-3.40717890118  Egs=-1.60289043447
Kept: 498 out of 2124, ratio=0.234
<SaSd>=-0.049122363368
Memory used: 40 MB  Time elapsed: 258 s

 ***** [NRG] Iteration 102/106 (scale 5.3874997271734078e-16) ***** 
[1] xi(101)=1 zeta(102)=0
Stats: nr=33 min=1 max=246 sum3=42402345
Emax=10.8361449091 nrkept=567 nrkeptmult=1324 
Total energy=-3.40717890118  Egs=-0.802046777062
Kept: 567 out of 1857, ratio=0.305
<SaSd>=-0.0491223633967
Memory used: 41 MB  Time elapsed: 258 s

 ***** [NRG] Iteration 103/106 (scale 3.8095375907249913e-16) ***** 
[1] xi(102)=1 zeta(103)=0
Stats: nr=34 min=1 max=243 sum3=60833952
Emax=10.525426076 nrkept=498 nrkeptmult=1142 
Total energy=-3.40717890118  Egs=-1.60296080937
Kept: 498 out of 2124, ratio=0.234
<SaSd>=-0.0491223634112
Memory used: 40 MB  Time elapsed: 259 s

 ***** [NRG] Iteration 104/106 (scale 2.6937498635867039e-16) ***** 
[1] xi(103)=1 zeta(104)=0
Stats: nr=33 min=1 max=246 sum3=42402345
Emax=10.8368956498 nrkept=567 nrkeptmult=1324 
Total energy=-3.40717890118  Egs=-0.802014967246
Kept: 567 out of 1857, ratio=0.305
<SaSd>=-0.0491223634184
Memory used: 41 MB  Time elapsed: 259 s

 ***** [NRG] Iteration 105/106 (scale 1.9047687953624956e-16) ***** 
[1] xi(104)=1 zeta(105)=0
Stats: nr=34 min=1 max=243 sum3=60833952
Emax=10.525754928 nrkept=498 nrkeptmult=1142 
Total energy=-3.40717890118  Egs=-1.60299600522
Kept: 498 out of 2124, ratio=0.234
<SaSd>=-0.049122363422
Memory used: 40 MB  Time elapsed: 259 s

 ***** [NRG] Iteration 106/106 (scale 1.3468749317933519e-16) ***** 
[1] xi(105)=1 zeta(106)=0
Stats: nr=33 min=1 max=246 sum3=42402345
Emax=10.8372708724 nrkept=567 nrkeptmult=1324 
Total energy=-3.40717890118  Egs=-0.80199906013
Kept: 567 out of 1857, ratio=0.305
<SaSd>=-0.0491223634238
Memory used: 41 MB  Time elapsed: 259 s

** Iteration completed.


Total energy:             -3.407178901182817
TKW=9.19632992762e-13
Grand canonical Z=              30.44533569236821
Zft (last shell)=               13.41843247548455

Memory usage report
===================
  after diag: 100460 kB
after recalc: 56904 kB
 after split: 158608 kB
  after trim: 42152 kB
 after trunc: 100748 kB
      diag_h: 101120 kB

Peak usage: 158608 kB

Timing report
=============
         All: 260 s
        diag: 236 s
       Other: 23 s
