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=1.13258230194e-16
Nmax=106
Tmin=1e-16
Ninit=0
Lambda=2
strategy=kept
lastall=0
lastalloverride=0
z=1
discretization=Z
band=flat
betabar=1
T=1.13258230194e-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=	1.
>>  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=1
# keep=10000 keepenergy=10 Nmax=106 channels=1 dots=2 betabar=1

Number of invariant subspaces: 10
(-3 1) 1 states
1.10052147192 
(-2 2) 3 states
0.575441357202 0.610392656818 1.13547225828 
(-1 1) 6 states
0.0853125022597 0.490129054513 0.645343213029 1.10052147192 1.1005215025 1.22078480038 
(-1 3) 3 states
0.0853125420971 0.61039214356 0.645343443176 
(0 2) 8 states
0 0.120263297879 0.575441357202 0.575441587349 0.610392656818 0.730655745865 1.13547225828 1.13547229812 
(0 4) 1 states
0.120263328455 
(1 1) 6 states
0.0853125022597 0.490129054513 0.645343213029 1.10052147192 1.1005215025 1.22078480038 
(1 3) 3 states
0.0853125420971 0.61039214356 0.645343443176 
(2 2) 3 states
0.575441357202 0.610392656818 1.13547225828 
(3 1) 1 states
1.10052147192 
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>=-1.02202861255e-09

 ***** [NRG] Iteration 1/106 (scale 0.72134752044448169) ***** 
[1] xi(0)=0.755928946018 zeta(1)=0
Stats: nr=15 min=1 max=20 sum3=30066
Emax=4.4610465162 nrkept=126 nrkeptmult=256 
Total energy=-1.10898242152  Egs=-1.36729804738
Kept: 126 out of 126, ratio=1
<SaSd>=-2.10838143237e-09
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 2/106 (scale 0.51006972329839473) ***** 
[1] xi(1)=0.814613079963 zeta(2)=0
Stats: nr=21 min=1 max=75 sum3=1007202
Emax=7.57977429974 nrkept=462 nrkeptmult=1024 
Total energy=-1.43310668987  Egs=-0.635450907079
Kept: 462 out of 462, ratio=1
<SaSd>=-4.3195764934e-09
Memory used: 5 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 3/106 (scale 0.36067376022224085) ***** 
[1] xi(2)=0.892494029723 zeta(3)=0
Stats: nr=28 min=1 max=210 sum3=37226316
Safeguard: keep additional 1 states
Emax=10.0242251381 nrkept=1518 nrkeptmult=3688 
Total energy=-1.94401291614  Egs=-1.4165328411
Kept: 1518 out of 1716, ratio=0.885
<SaSd>=-8.64665400542e-09
Memory used: 13 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 4/106 (scale 0.25503486164919736) ***** 
[1] xi(3)=0.942104180991 zeta(4)=0
Stats: nr=36 min=1 max=680 sum3=995203060
Safeguard: keep additional 3 states
Emax=10.0035770085 nrkept=2829 nrkeptmult=7392 
Total energy=-2.15139095593  Egs=-0.813136049112
Kept: 2829 out of 5704, ratio=0.496
<SaSd>=-1.65061939992e-08
Memory used: 26 MB  Time elapsed: 3 s

 ***** [NRG] Iteration 5/106 (scale 0.18033688011112042) ***** 
[1] xi(4)=0.96993426226 zeta(5)=0
Stats: nr=43 min=1 max=1066 sum3=5477587686
Safeguard: keep additional 1 states
Emax=10.0062898636 nrkept=2696 nrkeptmult=7248 
Total energy=-2.41656390805  Egs=-1.470431073
Kept: 2696 out of 10716, ratio=0.252
<SaSd>=-2.93228445761e-08
Memory used: 31 MB  Time elapsed: 24 s

 ***** [NRG] Iteration 6/106 (scale 0.12751743082459868) ***** 
[1] xi(5)=0.984675515632 zeta(6)=0
Stats: nr=46 min=1 max=1098 sum3=4796262793
Safeguard: keep additional 4 states
Emax=10.1031468271 nrkept=2630 nrkeptmult=7354 
Total energy=-2.52709086062  Egs=-0.866759562613
Kept: 2630 out of 10231, ratio=0.257
<SaSd>=-4.75309851586e-08
Memory used: 29 MB  Time elapsed: 40 s

 ***** [NRG] Iteration 7/106 (scale 0.090168440055560212) ***** 
[1] xi(6)=0.992263204714 zeta(7)=0
Stats: nr=47 min=1 max=1027 sum3=4395916754
Safeguard: keep additional 1 states
Emax=10.0171017327 nrkept=1806 nrkeptmult=5108 
Total energy=-2.66082744375  Egs=-1.48318616858
Kept: 1806 out of 10034, ratio=0.18
<SaSd>=-7.23016747955e-08
Memory used: 26 MB  Time elapsed: 55 s

 ***** [NRG] Iteration 8/106 (scale 0.063758715412299341) ***** 
[1] xi(7)=0.996112749408 zeta(8)=0
Stats: nr=46 min=1 max=737 sum3=1498420837
Safeguard: keep additional 1 states
Emax=10.3876032747 nrkept=1855 nrkeptmult=5446 
Total energy=-2.71717083647  Egs=-0.883697112656
Kept: 1855 out of 6907, ratio=0.269
<SaSd>=-1.05903001489e-07
Memory used: 25 MB  Time elapsed: 61 s

 ***** [NRG] Iteration 9/106 (scale 0.045084220027780106) ***** 
[1] xi(8)=0.998051634085 zeta(9)=0
Stats: nr=47 min=1 max=734 sum3=1516105294
Safeguard: keep additional 3 states
Emax=10.009389004 nrkept=1516 nrkeptmult=4400 
Total energy=-2.78399241366  Egs=-1.48215001051
Kept: 1516 out of 7114, ratio=0.213
<SaSd>=-1.52905829053e-07
Memory used: 24 MB  Time elapsed: 66 s

 ***** [NRG] Iteration 10/106 (scale 0.031879357706149671) ***** 
[1] xi(9)=0.99902462843 zeta(10)=0
Stats: nr=46 min=1 max=595 sum3=844830907
Safeguard: keep additional 3 states
Emax=10.0175159518 nrkept=1769 nrkeptmult=5208 
Total energy=-2.81241633721  Egs=-0.891609041084
Kept: 1769 out of 5803, ratio=0.305
<SaSd>=-2.18817701619e-07
Memory used: 27 MB  Time elapsed: 70 s

 ***** [NRG] Iteration 11/106 (scale 0.022542110013890053) ***** 
[1] xi(10)=0.999512016628 zeta(11)=0
Stats: nr=45 min=1 max=700 sum3=1309745332
Safeguard: keep additional 1 states
Emax=10.0009824467 nrkept=1498 nrkeptmult=4348 
Total energy=-2.84570549782  Egs=-1.47675442051
Kept: 1498 out of 6790, ratio=0.221
<SaSd>=-3.11974659628e-07
Memory used: 26 MB  Time elapsed: 74 s

 ***** [NRG] Iteration 12/106 (scale 0.015939678853074835) ***** 
[1] xi(11)=0.999755933863 zeta(12)=0
Stats: nr=46 min=1 max=588 sum3=813395489
Safeguard: keep additional 1 states
Emax=10.0092839501 nrkept=1735 nrkeptmult=5034 
Total energy=-2.86001670076  Egs=-0.897835086416
Kept: 1735 out of 5735, ratio=0.303
<SaSd>=-4.43114012803e-07
Memory used: 27 MB  Time elapsed: 77 s

 ***** [NRG] Iteration 13/106 (scale 0.011271055006945026) ***** 
[1] xi(12)=0.999877948312 zeta(13)=0
Stats: nr=41 min=1 max=695 sum3=1278075384
Safeguard: keep additional 5 states
Emax=10.001621258 nrkept=1466 nrkeptmult=4240 
Total energy=-2.87657983645  Egs=-1.4695284223
Kept: 1466 out of 6654, ratio=0.22
<SaSd>=-6.28134662354e-07
Memory used: 27 MB  Time elapsed: 82 s

 ***** [NRG] Iteration 14/106 (scale 0.0079698394265374176) ***** 
[1] xi(13)=0.9999389695 zeta(14)=0
Stats: nr=46 min=1 max=578 sum3=766526983
Safeguard: keep additional 3 states
Emax=10.0052875257 nrkept=1721 nrkeptmult=4976 
Total energy=-2.88378666336  Egs=-0.904262499114
Kept: 1721 out of 5611, ratio=0.307
<SaSd>=-8.88362908387e-07
Memory used: 29 MB  Time elapsed: 85 s

 ***** [NRG] Iteration 15/106 (scale 0.0056355275034725132) ***** 
[1] xi(14)=0.999969483586 zeta(15)=0
Stats: nr=41 min=1 max=690 sum3=1254173440
Safeguard: keep additional 1 states
Emax=10.0052949229 nrkept=1446 nrkeptmult=4168 
Total energy=-2.89202045714  Egs=-1.46105112155
Kept: 1446 out of 6598, ratio=0.219
<SaSd>=-1.25586009952e-06
Memory used: 29 MB  Time elapsed: 90 s

 ***** [NRG] Iteration 16/106 (scale 0.0039849197132687088) ***** 
[1] xi(15)=0.999984741502 zeta(16)=0
Stats: nr=46 min=1 max=574 sum3=741648677
Safeguard: keep additional 3 states
Emax=10.008877093 nrkept=1705 nrkeptmult=4912 
Total energy=-2.89565247146  Egs=-0.911439773806
Kept: 1705 out of 5531, ratio=0.308
<SaSd>=-1.77190338544e-06
Memory used: 30 MB  Time elapsed: 93 s

 ***** [NRG] Iteration 17/106 (scale 0.0028177637517362566) ***** 
[1] xi(16)=0.999992370678 zeta(17)=0
Stats: nr=41 min=1 max=684 sum3=1224801168
Safeguard: keep additional 3 states
Emax=10.0001772731 nrkept=1440 nrkeptmult=4144 
Total energy=-2.89974204104  Egs=-1.45135289494
Kept: 1440 out of 6534, ratio=0.22
<SaSd>=-6.94373876792e-06
Memory used: 29 MB  Time elapsed: 97 s

 ***** [NRG] Iteration 18/106 (scale 0.0019924598566343544) ***** 
[1] xi(17)=0.999996185321 zeta(18)=0
Stats: nr=46 min=1 max=573 sum3=733805423
Emax=10.0047227753 nrkept=1676 nrkeptmult=4804 
Total energy=-2.90157435308  Egs=-0.919623061733
Kept: 1676 out of 5507, ratio=0.304
<SaSd>=-4.37305355793e-06
Memory used: 31 MB  Time elapsed: 100 s

 ***** [NRG] Iteration 19/106 (scale 0.0014088818758681283) ***** 
[1] xi(18)=0.999998092656 zeta(19)=0
Stats: nr=41 min=1 max=675 sum3=1177485574
Safeguard: keep additional 1 states
Emax=10.0032341603 nrkept=1434 nrkeptmult=4128 
Total energy=-2.90360353757  Egs=-1.44028007726
Kept: 1434 out of 6418, ratio=0.223
<SaSd>=-7.15267253121e-06
Memory used: 30 MB  Time elapsed: 103 s

 ***** [NRG] Iteration 20/106 (scale 0.0009962299283171772) ***** 
[1] xi(19)=0.999999046327 zeta(20)=0
Stats: nr=46 min=1 max=571 sum3=724805459
Safeguard: keep additional 1 states
Emax=10.0031833454 nrkept=1659 nrkeptmult=4750 
Total energy=-2.9045290746  Egs=-0.929039575006
Kept: 1659 out of 5483, ratio=0.303
<SaSd>=-9.23600131139e-06
Memory used: 31 MB  Time elapsed: 106 s

 ***** [NRG] Iteration 21/106 (scale 0.00070444093793406415) ***** 
[1] xi(20)=0.999999523163 zeta(21)=0
Stats: nr=41 min=1 max=668 sum3=1139640416
Safeguard: keep additional 1 states
Emax=10.0069904311 nrkept=1434 nrkeptmult=4128 
Total energy=-2.90553472283  Egs=-1.42758344994
Kept: 1434 out of 6350, ratio=0.226
<SaSd>=-1.19974457759e-05
Memory used: 30 MB  Time elapsed: 109 s

 ***** [NRG] Iteration 22/106 (scale 0.0004981149641585886) ***** 
[1] xi(21)=0.999999761581 zeta(22)=0
Stats: nr=46 min=1 max=571 sum3=724805459
Safeguard: keep additional 1 states
Emax=10.00449282 nrkept=1631 nrkeptmult=4638 
Total energy=-2.90600293122  Egs=-0.939960502302
Kept: 1631 out of 5483, ratio=0.297
<SaSd>=-1.60274173106e-05
Memory used: 31 MB  Time elapsed: 112 s

 ***** [NRG] Iteration 23/106 (scale 0.00035222046896703208) ***** 
[1] xi(22)=0.999999880791 zeta(23)=0
Stats: nr=41 min=1 max=658 sum3=1094142808
Emax=10.0014417597 nrkept=1425 nrkeptmult=4095 
Total energy=-2.90650059462  Egs=-1.41293151258
Kept: 1425 out of 6238, ratio=0.228
<SaSd>=-2.07678256404e-05
Memory used: 31 MB  Time elapsed: 116 s

 ***** [NRG] Iteration 24/106 (scale 0.0002490574820792943) ***** 
[1] xi(23)=0.999999940395 zeta(24)=0
Stats: nr=46 min=1 max=568 sum3=711952823
Safeguard: keep additional 4 states
Emax=10.0002104136 nrkept=1616 nrkeptmult=4588 
Total energy=-2.90673787958  Egs=-0.952731699053
Kept: 1616 out of 5447, ratio=0.297
<SaSd>=-3.14368942667e-05
Memory used: 32 MB  Time elapsed: 119 s

 ***** [NRG] Iteration 25/106 (scale 0.00017611023448351604) ***** 
[1] xi(24)=0.999999970198 zeta(25)=0
Stats: nr=41 min=1 max=651 sum3=1064267680
Emax=10.0087334678 nrkept=1425 nrkeptmult=4095 
Total energy=-2.90698371201  Egs=-1.39590087232
Kept: 1425 out of 6178, ratio=0.231
<SaSd>=-3.9653448754e-05
Memory used: 32 MB  Time elapsed: 123 s

 ***** [NRG] Iteration 26/106 (scale 0.00012452874103964715) ***** 
[1] xi(25)=0.999999985099 zeta(26)=0
Stats: nr=46 min=1 max=568 sum3=711952823
Safeguard: keep additional 1 states
Emax=10.0060429413 nrkept=1575 nrkeptmult=4482 
Total energy=-2.90710423076  Egs=-0.96779873225
Kept: 1575 out of 5447, ratio=0.289
<SaSd>=-5.49367493261e-05
Memory used: 33 MB  Time elapsed: 125 s

 ***** [NRG] Iteration 27/106 (scale 8.8055117241758019e-05) ***** 
[1] xi(26)=0.999999992549 zeta(27)=0
Stats: nr=41 min=1 max=634 sum3=982591718
Emax=10.0172104398 nrkept=1425 nrkeptmult=4095 
Total energy=-2.90722539097  Egs=-1.375958656
Kept: 1425 out of 6020, ratio=0.237
<SaSd>=-7.66909620723e-05
Memory used: 33 MB  Time elapsed: 129 s

 ***** [NRG] Iteration 28/106 (scale 6.2264370519823575e-05) ***** 
[1] xi(27)=0.999999996275 zeta(28)=0
Stats: nr=46 min=1 max=568 sum3=711952823
Safeguard: keep additional 3 states
Emax=10.004851966 nrkept=1557 nrkeptmult=4436 
Total energy=-2.9072867671  Egs=-0.985734507659
Kept: 1557 out of 5447, ratio=0.286
<SaSd>=-0.000108136406807
Memory used: 33 MB  Time elapsed: 132 s

 ***** [NRG] Iteration 29/106 (scale 4.402755862087901e-05) ***** 
[1] xi(28)=0.999999998137 zeta(29)=0
Stats: nr=41 min=1 max=626 sum3=945963510
Safeguard: keep additional 3 states
Emax=10.0240337772 nrkept=1428 nrkeptmult=4100 
Total energy=-2.90734631194  Egs=-1.35244458853
Kept: 1428 out of 5952, ratio=0.24
<SaSd>=-0.000151021761466
Memory used: 33 MB  Time elapsed: 136 s

 ***** [NRG] Iteration 30/106 (scale 3.1132185259911788e-05) ***** 
[1] xi(29)=0.999999999069 zeta(30)=0
Stats: nr=46 min=1 max=569 sum3=714588935
Safeguard: keep additional 1 states
Emax=10.0066906024 nrkept=1531 nrkeptmult=4346 
Total energy=-2.9073776704  Egs=-1.00726838849
Kept: 1531 out of 5459, ratio=0.28
<SaSd>=-0.000207805104378
Memory used: 33 MB  Time elapsed: 139 s

 ***** [NRG] Iteration 31/106 (scale 2.2013779310439505e-05) ***** 
[1] xi(30)=0.999999999534 zeta(31)=0
Stats: nr=41 min=1 max=618 sum3=909528258
Safeguard: keep additional 2 states
Emax=10.0004460322 nrkept=1424 nrkeptmult=4092 
Total energy=-2.90740682907  Egs=-1.32456418981
Kept: 1424 out of 5856, ratio=0.243
<SaSd>=-0.000288027817571
Memory used: 34 MB  Time elapsed: 142 s

 ***** [NRG] Iteration 32/106 (scale 1.5566092629955894e-05) ***** 
[1] xi(31)=0.999999999767 zeta(32)=0
Stats: nr=46 min=1 max=567 sum3=708941383
Safeguard: keep additional 1 states
Emax=10.0015034828 nrkept=1499 nrkeptmult=4230 
Total energy=-2.90742291362  Egs=-1.03330726822
Kept: 1499 out of 5443, ratio=0.275
<SaSd>=-0.000403694497487
Memory used: 34 MB  Time elapsed: 145 s

 ***** [NRG] Iteration 33/106 (scale 1.1006889655219752e-05) ***** 
[1] xi(32)=0.999999999884 zeta(33)=0
Stats: nr=41 min=1 max=610 sum3=871850758
Safeguard: keep additional 1 states
Emax=10.0032559415 nrkept=1428 nrkeptmult=4108 
Total energy=-2.90743712812  Egs=-1.29141789725
Kept: 1428 out of 5734, ratio=0.249
<SaSd>=-0.000558002698706
Memory used: 34 MB  Time elapsed: 148 s

 ***** [NRG] Iteration 34/106 (scale 7.7830463149779469e-06) ***** 
[1] xi(33)=0.999999999942 zeta(34)=0
Stats: nr=46 min=1 max=569 sum3=714424934
Safeguard: keep additional 1 states
Emax=10.0063060586 nrkept=1482 nrkeptmult=4174 
Total energy=-2.90744541646  Egs=-1.06492266032
Kept: 1482 out of 5462, ratio=0.271
<SaSd>=-0.000775944942621
Memory used: 34 MB  Time elapsed: 151 s

 ***** [NRG] Iteration 35/106 (scale 5.5034448276098762e-06) ***** 
[1] xi(34)=0.999999999971 zeta(35)=0
Stats: nr=41 min=1 max=603 sum3=841269848
Emax=10.0021766808 nrkept=1426 nrkeptmult=4108 
Total energy=-2.90745230743  Egs=-1.25211867724
Kept: 1426 out of 5666, ratio=0.252
<SaSd>=-0.00106949878678
Memory used: 35 MB  Time elapsed: 155 s

 ***** [NRG] Iteration 36/106 (scale 3.8915231574889735e-06) ***** 
[1] xi(35)=0.999999999985 zeta(36)=0
Stats: nr=46 min=1 max=571 sum3=719107259
Safeguard: keep additional 1 states
Emax=10.0023163713 nrkept=1453 nrkeptmult=4076 
Total energy=-2.90745660073  Egs=-1.10324370946
Kept: 1453 out of 5459, ratio=0.266
<SaSd>=-0.00147687815492
Memory used: 35 MB  Time elapsed: 157 s

 ***** [NRG] Iteration 37/106 (scale 2.7517224138049381e-06) ***** 
[1] xi(36)=0.999999999993 zeta(37)=0
Stats: nr=41 min=1 max=590 sum3=792839448
Safeguard: keep additional 2 states
Emax=10.0040236544 nrkept=1423 nrkeptmult=4099 
Total energy=-2.90745991957  Egs=-1.20609685265
Kept: 1423 out of 5550, ratio=0.256
<SaSd>=-0.00202505342209
Memory used: 35 MB  Time elapsed: 160 s

 ***** [NRG] Iteration 38/106 (scale 1.9457615787444867e-06) ***** 
[1] xi(37)=0.999999999996 zeta(38)=0
Stats: nr=46 min=1 max=570 sum3=713520462
Emax=10.0007126374 nrkept=1407 nrkeptmult=3956 
Total energy=-2.90746215551  Egs=-1.14913476415
Kept: 1407 out of 5448, ratio=0.258
<SaSd>=-0.00276946743998
Memory used: 35 MB  Time elapsed: 163 s

 ***** [NRG] Iteration 39/106 (scale 1.3758612069024691e-06) ***** 
[1] xi(38)=0.999999999998 zeta(39)=0
Stats: nr=41 min=1 max=570 sum3=715430128
Safeguard: keep additional 2 states
Emax=10.0032254569 nrkept=1412 nrkeptmult=4044 
Total energy=-2.90746374289  Egs=-1.15373170463
Kept: 1412 out of 5374, ratio=0.263
<SaSd>=-0.00375464792299
Memory used: 36 MB  Time elapsed: 166 s

 ***** [NRG] Iteration 40/106 (scale 9.7288078937224336e-07) ***** 
[1] xi(39)=0.999999999999 zeta(40)=0
Stats: nr=44 min=1 max=569 sum3=708985429
Safeguard: keep additional 3 states
Emax=10.0093361408 nrkept=1369 nrkeptmult=3876 
Total energy=-2.90746491275  Egs=-1.2024694209
Kept: 1369 out of 5407, ratio=0.253
<SaSd>=-0.00505701620421
Memory used: 35 MB  Time elapsed: 169 s

 ***** [NRG] Iteration 41/106 (scale 6.8793060345123453e-07) ***** 
[1] xi(40)=1 zeta(41)=0
Stats: nr=41 min=1 max=556 sum3=659362584
Safeguard: keep additional 1 states
Emax=10.003276208 nrkept=1395 nrkeptmult=3993 
Total energy=-2.90746566764  Egs=-1.09734736078
Kept: 1395 out of 5232, ratio=0.267
<SaSd>=-0.0067495917572
Memory used: 35 MB  Time elapsed: 172 s

 ***** [NRG] Iteration 42/106 (scale 4.8644039468612168e-07) ***** 
[1] xi(41)=1 zeta(42)=0
Stats: nr=44 min=1 max=564 sum3=682885676
Safeguard: keep additional 2 states
Emax=10.0433383293 nrkept=1355 nrkeptmult=3850 
Total energy=-2.907466281  Egs=-1.26090832769
Kept: 1355 out of 5342, ratio=0.254
<SaSd>=-0.00890171470554
Memory used: 35 MB  Time elapsed: 174 s

 ***** [NRG] Iteration 43/106 (scale 3.4396530172561726e-07) ***** 
[1] xi(42)=1 zeta(43)=0
Stats: nr=41 min=1 max=550 sum3=636967108
Safeguard: keep additional 2 states
Emax=10.0022541866 nrkept=1344 nrkeptmult=3800 
Total energy=-2.90746663942  Egs=-1.04203118668
Kept: 1344 out of 5182, ratio=0.259
<SaSd>=-0.0115829360404
Memory used: 35 MB  Time elapsed: 177 s

 ***** [NRG] Iteration 44/106 (scale 2.4322019734306084e-07) ***** 
[1] xi(43)=1 zeta(44)=0
Stats: nr=44 min=1 max=549 sum3=625147108
Safeguard: keep additional 2 states
Emax=10.0086848501 nrkept=1285 nrkeptmult=3614 
Total energy=-2.90746696018  Egs=-1.31879672054
Kept: 1285 out of 5140, ratio=0.25
<SaSd>=-0.0148041736044
Memory used: 36 MB  Time elapsed: 179 s

 ***** [NRG] Iteration 45/106 (scale 1.7198265086280863e-07) ***** 
[1] xi(44)=1 zeta(45)=0
Stats: nr=40 min=1 max=524 sum3=552259144
Safeguard: keep additional 1 states
Emax=10.0023383716 nrkept=1280 nrkeptmult=3586 
Total energy=-2.90746713126  Egs=-0.99474548454
Kept: 1280 out of 4912, ratio=0.261
<SaSd>=-0.0185247480617
Memory used: 36 MB  Time elapsed: 182 s

 ***** [NRG] Iteration 46/106 (scale 1.2161009867153042e-07) ***** 
[1] xi(45)=1 zeta(46)=0
Stats: nr=42 min=1 max=532 sum3=555248353
Safeguard: keep additional 1 states
Emax=10.0088592334 nrkept=1182 nrkeptmult=3270 
Total energy=-2.90746729764  Egs=-1.36810606142
Kept: 1182 out of 4891, ratio=0.242
<SaSd>=-0.0226196822004
Memory used: 35 MB  Time elapsed: 184 s

 ***** [NRG] Iteration 47/106 (scale 8.5991325431404316e-08) ***** 
[1] xi(46)=1 zeta(47)=0
Stats: nr=40 min=1 max=487 sum3=443717238
Emax=10.0015718811 nrkept=1199 nrkeptmult=3315 
Total energy=-2.90746738027  Egs=-0.960940071484
Kept: 1199 out of 4512, ratio=0.266
<SaSd>=-0.0268384882641
Memory used: 37 MB  Time elapsed: 186 s

 ***** [NRG] Iteration 48/106 (scale 6.080504933576521e-08) ***** 
[1] xi(47)=1 zeta(48)=0
Stats: nr=42 min=1 max=505 sum3=464804727
Safeguard: keep additional 1 states
Emax=10.0177304079 nrkept=1086 nrkeptmult=2960 
Total energy=-2.90746746555  Egs=-1.40250372585
Kept: 1086 out of 4575, ratio=0.237
<SaSd>=-0.0309168789446
Memory used: 35 MB  Time elapsed: 188 s

 ***** [NRG] Iteration 49/106 (scale 4.2995662715702158e-08) ***** 
[1] xi(48)=1 zeta(49)=0
Stats: nr=40 min=1 max=449 sum3=350976908
Emax=10.0040728056 nrkept=1079 nrkeptmult=2939 
Total energy=-2.90746750603  Egs=-0.941613511038
Kept: 1079 out of 4136, ratio=0.261
<SaSd>=-0.0345651827825
Memory used: 36 MB  Time elapsed: 189 s

 ***** [NRG] Iteration 50/106 (scale 3.0402524667882605e-08) ***** 
[1] xi(49)=1 zeta(50)=0
Stats: nr=42 min=1 max=460 sum3=345407920
Safeguard: keep additional 1 states
Emax=10.0061990843 nrkept=983 nrkeptmult=2638 
Total energy=-2.90746754923  Egs=-1.42087574862
Kept: 983 out of 4108, ratio=0.239
<SaSd>=-0.0376162257155
Memory used: 36 MB  Time elapsed: 190 s

 ***** [NRG] Iteration 51/106 (scale 2.1497831357851079e-08) ***** 
[1] xi(50)=1 zeta(51)=0
Stats: nr=40 min=1 max=406 sum3=267279948
Emax=10.0019524811 nrkept=997 nrkeptmult=2659 
Total energy=-2.90746756931  Egs=-0.934089764192
Kept: 997 out of 3738, ratio=0.267
<SaSd>=-0.0399913741791
Memory used: 36 MB  Time elapsed: 191 s

 ***** [NRG] Iteration 52/106 (scale 1.5201262333941303e-08) ***** 
[1] xi(51)=1 zeta(52)=0
Stats: nr=40 min=1 max=428 sum3=273190641
Emax=10.0105638759 nrkept=905 nrkeptmult=2398 
Total energy=-2.90746759099  Egs=-1.42628747234
Kept: 905 out of 3789, ratio=0.239
<SaSd>=-0.0418055479465
Memory used: 36 MB  Time elapsed: 193 s

 ***** [NRG] Iteration 53/106 (scale 1.0748915678925539e-08) ***** 
[1] xi(52)=1 zeta(53)=0
Stats: nr=40 min=1 max=379 sum3=214646222
Emax=10.0972189408 nrkept=989 nrkeptmult=2641 
Total energy=-2.90746760104  Egs=-0.934780970737
Kept: 989 out of 3440, ratio=0.287
<SaSd>=-0.0431257960857
Memory used: 36 MB  Time elapsed: 194 s

 ***** [NRG] Iteration 54/106 (scale 7.6006311669706513e-09) ***** 
[1] xi(53)=1 zeta(54)=0
Stats: nr=40 min=1 max=423 sum3=265476748
Safeguard: keep additional 2 states
Emax=10.0104379768 nrkept=882 nrkeptmult=2332 
Total energy=-2.90746761185  Egs=-1.42269820997
Kept: 882 out of 3760, ratio=0.235
<SaSd>=-0.0441239721905
Memory used: 37 MB  Time elapsed: 195 s

 ***** [NRG] Iteration 55/106 (scale 5.3744578394627697e-09) ***** 
[1] xi(54)=1 zeta(55)=0
Stats: nr=40 min=1 max=364 sum3=194226404
Emax=10.4126434803 nrkept=989 nrkeptmult=2641 
Total energy=-2.90746761691  Egs=-0.940944763011
Kept: 989 out of 3350, ratio=0.295
<SaSd>=-0.0448649782183
Memory used: 36 MB  Time elapsed: 196 s

 ***** [NRG] Iteration 56/106 (scale 3.8003155834853256e-09) ***** 
[1] xi(55)=1 zeta(56)=0
Stats: nr=40 min=1 max=423 sum3=265476748
Safeguard: keep additional 4 states
Emax=10.0025010164 nrkept=854 nrkeptmult=2244 
Total energy=-2.90746762228  Egs=-1.41302604834
Kept: 854 out of 3760, ratio=0.227
<SaSd>=-0.045444476846
Memory used: 37 MB  Time elapsed: 197 s

 ***** [NRG] Iteration 57/106 (scale 2.6872289197313849e-09) ***** 
[1] xi(56)=1 zeta(57)=0
Stats: nr=40 min=1 max=359 sum3=182784500
Safeguard: keep additional 2 states
Emax=10.0012742123 nrkept=953 nrkeptmult=2477 
Total energy=-2.90746762484  Egs=-0.9510276354
Kept: 953 out of 3248, ratio=0.293
<SaSd>=-0.0458993133249
Memory used: 36 MB  Time elapsed: 198 s

 ***** [NRG] Iteration 58/106 (scale 1.9001577917426628e-09) ***** 
[1] xi(57)=1 zeta(58)=0
Stats: nr=34 min=1 max=421 sum3=254676797
Safeguard: keep additional 3 states
Emax=10.0034770752 nrkept=825 nrkeptmult=2134 
Total energy=-2.9074676275  Egs=-1.39885287447
Kept: 825 out of 3617, ratio=0.228
<SaSd>=-0.0462593648528
Memory used: 37 MB  Time elapsed: 199 s

 ***** [NRG] Iteration 59/106 (scale 1.3436144598656924e-09) ***** 
[1] xi(58)=1 zeta(59)=0
Stats: nr=40 min=1 max=343 sum3=167369538
Safeguard: keep additional 4 states
Emax=10.0064762707 nrkept=914 nrkeptmult=2324 
Total energy=-2.90746762879  Egs=-0.964413343347
Kept: 914 out of 3132, ratio=0.292
<SaSd>=-0.0465547016335
Memory used: 37 MB  Time elapsed: 200 s

 ***** [NRG] Iteration 60/106 (scale 9.5007889587133141e-10) ***** 
[1] xi(59)=1 zeta(60)=0
Stats: nr=34 min=1 max=416 sum3=231678383
Emax=10.0000325817 nrkept=800 nrkeptmult=2058 
Total energy=-2.9074676301  Egs=-1.38074466976
Kept: 800 out of 3461, ratio=0.231
<SaSd>=-0.0467932282526
Memory used: 37 MB  Time elapsed: 201 s

 ***** [NRG] Iteration 61/106 (scale 6.7180722993284622e-10) ***** 
[1] xi(60)=1 zeta(61)=0
Stats: nr=40 min=1 max=330 sum3=152619842
Safeguard: keep additional 1 states
Emax=10.0002974692 nrkept=886 nrkeptmult=2244 
Total energy=-2.90746763076  Egs=-0.981127818667
Kept: 886 out of 3032, ratio=0.292
<SaSd>=-0.0469938850389
Memory used: 36 MB  Time elapsed: 201 s

 ***** [NRG] Iteration 62/106 (scale 4.750394479356657e-10) ***** 
[1] xi(61)=1 zeta(62)=0
Stats: nr=34 min=1 max=404 sum3=208881109
Safeguard: keep additional 1 states
Emax=10.0091135161 nrkept=798 nrkeptmult=2052 
Total energy=-2.90746763141  Egs=-1.35858712596
Kept: 798 out of 3349, ratio=0.238
<SaSd>=-0.0471592281622
Memory used: 37 MB  Time elapsed: 202 s

 ***** [NRG] Iteration 63/106 (scale 3.3590361496642311e-10) ***** 
[1] xi(62)=1 zeta(63)=0
Stats: nr=40 min=1 max=328 sum3=150950544
Safeguard: keep additional 1 states
Emax=10.002035272 nrkept=872 nrkeptmult=2204 
Total energy=-2.90746763174  Egs=-1.00165905915
Kept: 872 out of 3024, ratio=0.288
<SaSd>=-0.0473006341232
Memory used: 37 MB  Time elapsed: 203 s

 ***** [NRG] Iteration 64/106 (scale 2.3751972396783285e-10) ***** 
[1] xi(63)=1 zeta(64)=0
Stats: nr=34 min=1 max=396 sum3=198051245
Safeguard: keep additional 3 states
Emax=10.0109001475 nrkept=800 nrkeptmult=2058 
Total energy=-2.90746763206  Egs=-1.33179301072
Kept: 800 out of 3293, ratio=0.243
<SaSd>=-0.047419124328
Memory used: 37 MB  Time elapsed: 204 s

 ***** [NRG] Iteration 65/106 (scale 1.6795180748321155e-10) ***** 
[1] xi(64)=1 zeta(65)=0
Stats: nr=40 min=1 max=328 sum3=151265060
Safeguard: keep additional 3 states
Emax=10.0022780654 nrkept=852 nrkeptmult=2136 
Total energy=-2.90746763223  Egs=-1.02688695607
Kept: 852 out of 3032, ratio=0.281
<SaSd>=-0.0475219005323
Memory used: 37 MB  Time elapsed: 204 s

 ***** [NRG] Iteration 66/106 (scale 1.1875986198391643e-10) ***** 
[1] xi(65)=1 zeta(66)=0
Stats: nr=34 min=1 max=388 sum3=186817095
Safeguard: keep additional 1 states
Emax=10.0039126159 nrkept=799 nrkeptmult=2058 
Total energy=-2.90746763239  Egs=-1.29940928015
Kept: 799 out of 3213, ratio=0.249
<SaSd>=-0.0476092765558
Memory used: 37 MB  Time elapsed: 205 s

 ***** [NRG] Iteration 67/106 (scale 8.3975903741605777e-11) ***** 
[1] xi(66)=1 zeta(67)=0
Stats: nr=40 min=1 max=329 sum3=150801904
Safeguard: keep additional 1 states
Emax=10.0237138618 nrkept=846 nrkeptmult=2112 
Total energy=-2.90746763248  Egs=-1.05807948671
Kept: 846 out of 3028, ratio=0.279
<SaSd>=-0.0476861054437
Memory used: 37 MB  Time elapsed: 206 s

 ***** [NRG] Iteration 68/106 (scale 5.9379930991958213e-11) ***** 
[1] xi(67)=1 zeta(68)=0
Stats: nr=34 min=1 max=388 sum3=184673379
Safeguard: keep additional 4 states
Emax=10.001203419 nrkept=803 nrkeptmult=2062 
Total energy=-2.90746763255  Egs=-1.26019770025
Kept: 803 out of 3189, ratio=0.252
<SaSd>=-0.0477526035056
Memory used: 37 MB  Time elapsed: 207 s

 ***** [NRG] Iteration 69/106 (scale 4.1987951870802889e-11) ***** 
[1] xi(68)=1 zeta(69)=0
Stats: nr=40 min=1 max=329 sum3=152093314
Safeguard: keep additional 2 states
Emax=10.0158801815 nrkept=834 nrkeptmult=2080 
Total energy=-2.9074676326  Egs=-1.09689336216
Kept: 834 out of 3040, ratio=0.274
<SaSd>=-0.0478118213288
Memory used: 37 MB  Time elapsed: 207 s

 ***** [NRG] Iteration 70/106 (scale 2.9689965495979107e-11) ***** 
[1] xi(69)=1 zeta(70)=0
Stats: nr=34 min=1 max=384 sum3=177231481
Emax=10.0006971304 nrkept=804 nrkeptmult=2062 
Total energy=-2.90746763263  Egs=-1.21280274487
Kept: 804 out of 3145, ratio=0.256
<SaSd>=-0.0478639783553
Memory used: 38 MB  Time elapsed: 208 s

 ***** [NRG] Iteration 71/106 (scale 2.0993975935401444e-11) ***** 
[1] xi(70)=1 zeta(71)=0
Stats: nr=40 min=1 max=330 sum3=153740638
Safeguard: keep additional 2 states
Emax=10.0041792674 nrkept=805 nrkeptmult=2003 
Total energy=-2.90746763266  Egs=-1.14526090584
Kept: 805 out of 3040, ratio=0.265
<SaSd>=-0.0479110098099
Memory used: 37 MB  Time elapsed: 209 s

 ***** [NRG] Iteration 72/106 (scale 1.4844982747989553e-11) ***** 
[1] xi(71)=1 zeta(72)=0
Stats: nr=34 min=1 max=371 sum3=158499747
Emax=10.0071359009 nrkept=801 nrkeptmult=2056 
Total energy=-2.90746763267  Egs=-1.15620785975
Kept: 801 out of 3033, ratio=0.264
<SaSd>=-0.0479530424308
Memory used: 38 MB  Time elapsed: 210 s

 ***** [NRG] Iteration 73/106 (scale 1.0496987967700722e-11) ***** 
[1] xi(72)=1 zeta(73)=0
Stats: nr=40 min=1 max=329 sum3=151589632
Safeguard: keep additional 1 states
Emax=10.0136921823 nrkept=776 nrkeptmult=1948 
Total energy=-2.90746763269  Egs=-1.20490795324
Kept: 776 out of 3028, ratio=0.256
<SaSd>=-0.0479913297993
Memory used: 37 MB  Time elapsed: 210 s

 ***** [NRG] Iteration 74/106 (scale 7.4224913739947766e-12) ***** 
[1] xi(73)=1 zeta(74)=0
Stats: nr=34 min=1 max=358 sum3=143068099
Safeguard: keep additional 3 states
Emax=10.0037001672 nrkept=797 nrkeptmult=2022 
Total energy=-2.9074676327  Egs=-1.0907854745
Kept: 797 out of 2929, ratio=0.272
<SaSd>=-0.0480259307429
Memory used: 37 MB  Time elapsed: 211 s

 ***** [NRG] Iteration 75/106 (scale 5.2484939838503611e-12) ***** 
[1] xi(74)=1 zeta(75)=0
Stats: nr=38 min=1 max=326 sum3=149796164
Emax=10.0023536441 nrkept=761 nrkeptmult=1925 
Total energy=-2.9074676327  Egs=-1.27606051017
Kept: 761 out of 3008, ratio=0.253
<SaSd>=-0.048057440095
Memory used: 37 MB  Time elapsed: 212 s

 ***** [NRG] Iteration 76/106 (scale 3.7112456869973883e-12) ***** 
[1] xi(75)=1 zeta(76)=0
Stats: nr=34 min=1 max=349 sum3=134425964
Safeguard: keep additional 1 states
Emax=10.0040949367 nrkept=774 nrkeptmult=1944 
Total energy=-2.90746763271  Egs=-1.02003067225
Kept: 774 out of 2876, ratio=0.269
<SaSd>=-0.0480859129535
Memory used: 38 MB  Time elapsed: 213 s

 ***** [NRG] Iteration 77/106 (scale 2.6242469919251805e-12) ***** 
[1] xi(76)=1 zeta(77)=0
Stats: nr=38 min=1 max=321 sum3=142008010
Safeguard: keep additional 1 states
Emax=10.0005213399 nrkept=739 nrkeptmult=1857 
Total energy=-2.90746763271  Egs=-1.35511092721
Kept: 739 out of 2920, ratio=0.253
<SaSd>=-0.0481114385374
Memory used: 38 MB  Time elapsed: 213 s

 ***** [NRG] Iteration 78/106 (scale 1.8556228434986942e-12) ***** 
[1] xi(77)=1 zeta(78)=0
Stats: nr=34 min=1 max=338 sum3=122743002
Safeguard: keep additional 1 states
Emax=10.0115388175 nrkept=748 nrkeptmult=1876 
Total energy=-2.90746763271  Egs=-0.951677308577
Kept: 748 out of 2790, ratio=0.268
<SaSd>=-0.0481338816182
Memory used: 38 MB  Time elapsed: 214 s

 ***** [NRG] Iteration 79/106 (scale 1.3121234959625903e-12) ***** 
[1] xi(78)=1 zeta(79)=0
Stats: nr=38 min=1 max=311 sum3=128633062
Safeguard: keep additional 2 states
Emax=10.001458024 nrkept=684 nrkeptmult=1692 
Total energy=-2.90746763271  Egs=-1.43287181399
Kept: 684 out of 2824, ratio=0.242
<SaSd>=-0.0481531665897
Memory used: 38 MB  Time elapsed: 214 s

 ***** [NRG] Iteration 80/106 (scale 9.2781142174934708e-13) ***** 
[1] xi(79)=1 zeta(80)=0
Stats: nr=33 min=1 max=321 sum3=102595100
Safeguard: keep additional 3 states
Emax=10.0335061851 nrkept=709 nrkeptmult=1744 
Total energy=-2.90746763271  Egs=-0.895072320097
Kept: 709 out of 2582, ratio=0.275
<SaSd>=-0.0481689820021
Memory used: 39 MB  Time elapsed: 215 s

 ***** [NRG] Iteration 81/106 (scale 6.5606174798129513e-13) ***** 
[1] xi(80)=1 zeta(81)=0
Stats: nr=36 min=1 max=296 sum3=113592734
Safeguard: keep additional 1 states
Emax=10.0090458955 nrkept=628 nrkeptmult=1528 
Total energy=-2.90746763271  Egs=-1.49769845684
Kept: 628 out of 2672, ratio=0.235
<SaSd>=-0.0481814183859
Memory used: 38 MB  Time elapsed: 215 s

 ***** [NRG] Iteration 82/106 (scale 4.6390571087467354e-13) ***** 
[1] xi(81)=1 zeta(82)=0
Stats: nr=33 min=1 max=300 sum3=80843432
Safeguard: keep additional 1 states
Emax=10.0156210645 nrkept=654 nrkeptmult=1582 
Total energy=-2.90746763271  Egs=-0.855246323178
Kept: 654 out of 2366, ratio=0.276
<SaSd>=-0.048190508035
Memory used: 38 MB  Time elapsed: 216 s

 ***** [NRG] Iteration 83/106 (scale 3.2803087399064757e-13) ***** 
[1] xi(82)=1 zeta(83)=0
Stats: nr=36 min=1 max=275 sum3=90638818
Safeguard: keep additional 2 states
Emax=10.0005528561 nrkept=578 nrkeptmult=1380 
Total energy=-2.90746763272  Egs=-1.54315888063
Kept: 578 out of 2458, ratio=0.235
<SaSd>=-0.0481967666869
Memory used: 37 MB  Time elapsed: 216 s

 ***** [NRG] Iteration 84/106 (scale 2.3195285543733677e-13) ***** 
[1] xi(83)=1 zeta(84)=0
Stats: nr=33 min=1 max=282 sum3=64744863
Safeguard: keep additional 2 states
Emax=10.0272243358 nrkept=587 nrkeptmult=1396 
Total energy=-2.90746763272  Egs=-0.830742196076
Kept: 587 out of 2169, ratio=0.271
<SaSd>=-0.0482007266202
Memory used: 38 MB  Time elapsed: 217 s

 ***** [NRG] Iteration 85/106 (scale 1.6401543699532378e-13) ***** 
[1] xi(84)=1 zeta(85)=0
Stats: nr=36 min=1 max=250 sum3=66305070
Safeguard: keep additional 1 states
Emax=10.0084415122 nrkept=520 nrkeptmult=1220 
Total energy=-2.90746763272  Egs=-1.57089784985
Kept: 520 out of 2202, ratio=0.236
<SaSd>=-0.0482030891548
Memory used: 39 MB  Time elapsed: 217 s

 ***** [NRG] Iteration 86/106 (scale 1.1597642771866838e-13) ***** 
[1] xi(85)=1 zeta(86)=0
Stats: nr=33 min=1 max=254 sum3=47313794
Emax=10.1332435185 nrkept=567 nrkeptmult=1322 
Total energy=-2.90746763272  Egs=-0.816972268075
Kept: 567 out of 1946, ratio=0.291
<SaSd>=-0.0482044012128
Memory used: 39 MB  Time elapsed: 217 s

 ***** [NRG] Iteration 87/106 (scale 8.2007718497661892e-14) ***** 
[1] xi(86)=1 zeta(87)=0
Stats: nr=34 min=1 max=244 sum3=61218744
Safeguard: keep additional 1 states
Emax=10.0686467083 nrkept=501 nrkeptmult=1157 
Total energy=-2.90746763272  Egs=-1.58635468734
Kept: 501 out of 2124, ratio=0.236
<SaSd>=-0.0482051109521
Memory used: 39 MB  Time elapsed: 218 s

 ***** [NRG] Iteration 88/106 (scale 5.7988213859334192e-14) ***** 
[1] xi(87)=1 zeta(88)=0
Stats: nr=33 min=1 max=245 sum3=42665008
Emax=10.5712955282 nrkept=567 nrkeptmult=1322 
Total energy=-2.90746763272  Egs=-0.809642049665
Kept: 567 out of 1870, ratio=0.303
<SaSd>=-0.0482054758557
Memory used: 38 MB  Time elapsed: 218 s

 ***** [NRG] Iteration 89/106 (scale 4.1003859248830946e-14) ***** 
[1] xi(88)=1 zeta(89)=0
Stats: nr=34 min=1 max=244 sum3=61218744
Safeguard: keep additional 1 states
Emax=10.2743874024 nrkept=499 nrkeptmult=1149 
Total energy=-2.90746763272  Egs=-1.59453212036
Kept: 499 out of 2124, ratio=0.235
<SaSd>=-0.0482056649943
Memory used: 38 MB  Time elapsed: 218 s

 ***** [NRG] Iteration 90/106 (scale 2.8994106929667096e-14) ***** 
[1] xi(89)=1 zeta(90)=0
Stats: nr=33 min=1 max=245 sum3=42367736
Emax=10.7017158972 nrkept=567 nrkeptmult=1322 
Total energy=-2.90746763272  Egs=-0.805855373175
Kept: 567 out of 1862, ratio=0.305
<SaSd>=-0.0482057593988
Memory used: 38 MB  Time elapsed: 218 s

 ***** [NRG] Iteration 91/106 (scale 2.0501929624415473e-14) ***** 
[1] xi(90)=1 zeta(91)=0
Stats: nr=34 min=1 max=244 sum3=61218744
Safeguard: keep additional 1 states
Emax=10.4435222221 nrkept=499 nrkeptmult=1149 
Total energy=-2.90746763272  Egs=-1.59874035763
Kept: 499 out of 2124, ratio=0.235
<SaSd>=-0.048205807583
Memory used: 39 MB  Time elapsed: 219 s

 ***** [NRG] Iteration 92/106 (scale 1.4497053464833548e-14) ***** 
[1] xi(91)=1 zeta(92)=0
Stats: nr=33 min=1 max=245 sum3=42367736
Emax=10.771032067 nrkept=567 nrkeptmult=1322 
Total energy=-2.90746763272  Egs=-0.803930181421
Kept: 567 out of 1862, ratio=0.305
<SaSd>=-0.0482058314331
Memory used: 39 MB  Time elapsed: 219 s

 ***** [NRG] Iteration 93/106 (scale 1.0250964812207736e-14) ***** 
[1] xi(92)=1 zeta(93)=0
Stats: nr=34 min=1 max=244 sum3=61218744
Emax=10.5060183014 nrkept=498 nrkeptmult=1142 
Total energy=-2.90746763272  Egs=-1.60087531482
Kept: 498 out of 2124, ratio=0.234
<SaSd>=-0.0482058435529
Memory used: 39 MB  Time elapsed: 219 s

 ***** [NRG] Iteration 94/106 (scale 7.2485267324167741e-15) ***** 
[1] xi(93)=1 zeta(94)=0
Stats: nr=33 min=1 max=246 sum3=42402345
Emax=10.806448043 nrkept=567 nrkeptmult=1322 
Total energy=-2.90746763272  Egs=-0.802959425539
Kept: 567 out of 1857, ratio=0.305
<SaSd>=-0.0482058495309
Memory used: 39 MB  Time elapsed: 220 s

 ***** [NRG] Iteration 95/106 (scale 5.1254824061038682e-15) ***** 
[1] xi(94)=1 zeta(95)=0
Stats: nr=34 min=1 max=244 sum3=61218744
Emax=10.5159992111 nrkept=498 nrkeptmult=1142 
Total energy=-2.90746763272  Egs=-1.60195062609
Kept: 498 out of 2124, ratio=0.234
<SaSd>=-0.048205852567
Memory used: 39 MB  Time elapsed: 220 s

 ***** [NRG] Iteration 96/106 (scale 3.624263366208387e-15) ***** 
[1] xi(95)=1 zeta(96)=0
Stats: nr=33 min=1 max=246 sum3=42402345
Emax=10.8242002637 nrkept=567 nrkeptmult=1322 
Total energy=-2.90746763272  Egs=-0.802471982028
Kept: 567 out of 1857, ratio=0.305
<SaSd>=-0.0482058540638
Memory used: 39 MB  Time elapsed: 220 s

 ***** [NRG] Iteration 97/106 (scale 2.5627412030519341e-15) ***** 
[1] xi(96)=1 zeta(97)=0
Stats: nr=34 min=1 max=244 sum3=61218744
Emax=10.5210240474 nrkept=498 nrkeptmult=1142 
Total energy=-2.90746763272  Egs=-1.60249025548
Kept: 498 out of 2124, ratio=0.234
<SaSd>=-0.0482058548236
Memory used: 39 MB  Time elapsed: 220 s

 ***** [NRG] Iteration 98/106 (scale 1.8121316831041935e-15) ***** 
[1] xi(97)=1 zeta(98)=0
Stats: nr=33 min=1 max=246 sum3=42402345
Emax=10.8318637791 nrkept=567 nrkeptmult=1324 
Total energy=-2.90746763272  Egs=-0.802227740624
Kept: 567 out of 1857, ratio=0.305
<SaSd>=-0.0482058551981
Memory used: 39 MB  Time elapsed: 221 s

 ***** [NRG] Iteration 99/106 (scale 1.2813706015259671e-15) ***** 
[1] xi(98)=1 zeta(99)=0
Stats: nr=34 min=1 max=243 sum3=60833952
Emax=10.5235560301 nrkept=498 nrkeptmult=1142 
Total energy=-2.90746763272  Egs=-1.60276056557
Kept: 498 out of 2124, ratio=0.234
<SaSd>=-0.0482058553882
Memory used: 39 MB  Time elapsed: 221 s

 ***** [NRG] Iteration 100/106 (scale 9.0606584155209676e-16) ***** 
[1] xi(99)=1 zeta(100)=0
Stats: nr=33 min=1 max=246 sum3=42402345
Emax=10.8347578285 nrkept=567 nrkeptmult=1324 
Total energy=-2.90746763272  Egs=-0.8021054896
Kept: 567 out of 1857, ratio=0.305
<SaSd>=-0.0482058554819
Memory used: 40 MB  Time elapsed: 221 s

 ***** [NRG] Iteration 101/106 (scale 6.4068530076298353e-16) ***** 
[1] xi(100)=1 zeta(101)=0
Stats: nr=34 min=1 max=243 sum3=60833952
Emax=10.5248192079 nrkept=498 nrkeptmult=1142 
Total energy=-2.90746763272  Egs=-1.60289584471
Kept: 498 out of 2124, ratio=0.234
<SaSd>=-0.0482058555294
Memory used: 39 MB  Time elapsed: 222 s

 ***** [NRG] Iteration 102/106 (scale 4.5303292077604838e-16) ***** 
[1] xi(101)=1 zeta(102)=0
Stats: nr=33 min=1 max=246 sum3=42402345
Emax=10.8362026466 nrkept=567 nrkeptmult=1324 
Total energy=-2.90746763272  Egs=-0.802044331457
Kept: 567 out of 1857, ratio=0.305
<SaSd>=-0.0482058555529
Memory used: 39 MB  Time elapsed: 222 s

 ***** [NRG] Iteration 103/106 (scale 3.2034265038149176e-16) ***** 
[1] xi(102)=1 zeta(103)=0
Stats: nr=34 min=1 max=243 sum3=60833952
Emax=10.5254513574 nrkept=498 nrkeptmult=1142 
Total energy=-2.90746763272  Egs=-1.60296351533
Kept: 498 out of 2124, ratio=0.234
<SaSd>=-0.0482058555648
Memory used: 39 MB  Time elapsed: 222 s

 ***** [NRG] Iteration 104/106 (scale 2.2651646038802419e-16) ***** 
[1] xi(103)=1 zeta(104)=0
Stats: nr=33 min=1 max=246 sum3=42402345
Emax=10.8369245037 nrkept=567 nrkeptmult=1324 
Total energy=-2.90746763272  Egs=-0.802013744222
Kept: 567 out of 1857, ratio=0.305
<SaSd>=-0.0482058555706
Memory used: 40 MB  Time elapsed: 222 s

 ***** [NRG] Iteration 105/106 (scale 1.6017132519074588e-16) ***** 
[1] xi(104)=1 zeta(105)=0
Stats: nr=34 min=1 max=243 sum3=60833952
Emax=10.5257675725 nrkept=498 nrkeptmult=1142 
Total energy=-2.90746763272  Egs=-1.60299735841
Kept: 498 out of 2124, ratio=0.234
<SaSd>=-0.0482058555736
Memory used: 39 MB  Time elapsed: 223 s

 ***** [NRG] Iteration 106/106 (scale 1.1325823019401209e-16) ***** 
[1] xi(105)=1 zeta(106)=0
Stats: nr=33 min=1 max=246 sum3=42402345
Emax=10.8372852957 nrkept=567 nrkeptmult=1324 
Total energy=-2.90746763272  Egs=-0.801998448563
Kept: 567 out of 1857, ratio=0.305
<SaSd>=-0.0482058555751
Memory used: 39 MB  Time elapsed: 223 s

** Iteration completed.


Total energy:             -2.907467632716343
TKW=8.03861639295e-13
Grand canonical Z=              49.10590096501256
Zft (last shell)=               13.41841237625658

Memory usage report
===================
  after diag: 80300 kB
after recalc: 46716 kB
 after split: 124252 kB
  after trim: 41608 kB
 after trunc: 80552 kB
      diag_h: 80300 kB

Peak usage: 124252 kB

Timing report
=============
         All: 223 s
        diag: 201 s
       Other: 22 s
