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-10 -> Nmax=66
TEMPERATURE T=1.41230072848e-10
Nmax=66
Tmin=1e-10
Ninit=0
Lambda=2
strategy=kept
lastall=0
lastalloverride=0
z=0.75
discretization=Z
band=flat
betabar=1
T=1.41230072848e-10
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=n_d^2 n_a^2 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: 	../dqd.m	 Variant: 		 Channels: 	1
>>  U=	0.01	 Gamma=	0.0006	 Delta=	0	 t=	0.
>> 
>>  Gamma^(1/2)=	0.019544100476116797
>>  Lambda=	2.	 BAND=	flat
>>  DISCRETIZATION=	Z	 z=	0.75
>>  ops=	n_d^2 n_a^2 SaSd
V7
>>  Number of channels, impurities, subspaces: 
channels=1 impurities=2 subspaces=10
Reading <||||> (e)
Reading <||n_d^2||> (s)
Reading <||n_a^2||> (s)
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=66 channels=1 dots=2 betabar=1

Number of invariant subspaces: 10
(-3 1) 1 states
0.0508634446838 
(-2 2) 3 states
0.0259265551074 0.0467419668894 0.0716788564657 
(-1 1) 6 states
0.00204812064299 0.0259265551074 0.0446938462464 0.0508634446838 0.0716788564657 0.0934839337789 
(-1 3) 3 states
0.0218050773131 0.0467419668894 0.0675573786714 
(0 2) 8 states
0 0.0218050773131 0.0259265551074 0.0467419668894 0.0487900875324 0.0675573786714 0.0716788564657 0.0914358131359 
(0 4) 1 states
0.0426204890951 
(1 1) 6 states
0.00204812064299 0.0259265551074 0.0446938462464 0.0508634446838 0.0716788564657 0.0934839337789 
(1 3) 3 states
0.0218050773131 0.0467419668894 0.0675573786714 
(2 2) 3 states
0.0259265551074 0.0467419668894 0.0716788564657 
(3 1) 1 states
0.0508634446838 
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>=8.68594399603e-13
<n_a^2>=1.49896972114
<n_d^2>=1.49896972114

 ***** [NRG] Iteration 1/66 (scale 0.85783160370214839) ***** 
[1] xi(0)=0.684778584642 zeta(1)=0
Stats: nr=15 min=1 max=20 sum3=30066
Emax=2.75377649668 nrkept=126 nrkeptmult=256 
Total energy=-1.17613825419  Egs=-1.31078512483
Kept: 126 out of 126, ratio=1
<SaSd>=4.48034793156e-12
<n_a^2>=1.49854308247
<n_d^2>=1.49854308247
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 2/66 (scale 0.6065785440939202) ***** 
[1] xi(1)=0.833755393818 zeta(2)=0
Stats: nr=21 min=1 max=75 sum3=1007202
Emax=5.23727674957 nrkept=462 nrkeptmult=1024 
Total energy=-1.58340985289  Egs=-0.67142434011
Kept: 462 out of 462, ratio=1
<SaSd>=2.34748629187e-11
<n_a^2>=1.49793992826
<n_d^2>=1.49793992826
Memory used: 5 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 3/66 (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=10.406471101 nrkept=1708 nrkeptmult=4084 
Total energy=-2.23172186879  Egs=-1.51151347911
Kept: 1708 out of 1716, ratio=0.995
<SaSd>=1.16291028841e-10
<n_a^2>=1.49708701369
<n_d^2>=1.49708701369
Memory used: 19 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 4/66 (scale 0.3032892720469601) ***** 
[1] xi(3)=0.972572268687 zeta(4)=0
Stats: nr=36 min=1 max=778 sum3=1457271077
Emax=10.7320157307 nrkept=4726 nrkeptmult=12164 
Total energy=-2.48339734137  Egs=-0.829819897317
Kept: 4726 out of 6407, ratio=0.738
<SaSd>=5.22826476175e-08
<n_a^2>=1.49588290171
<n_d^2>=1.49588290171
Memory used: 76 MB  Time elapsed: 6 s

 ***** [NRG] Iteration 5/66 (scale 0.2144579009255371) ***** 
[1] xi(4)=0.980132362648 zeta(5)=0
Stats: nr=45 min=1 max=1707 sum3=10903798892
Safeguard: keep additional 7 states
Emax=10.430721437 nrkept=6494 nrkeptmult=17086 
Total energy=-2.80383346677  Egs=-1.49416796496
Kept: 6494 out of 17876, ratio=0.363
<SaSd>=2.2573791195e-06
<n_a^2>=1.49417761971
<n_d^2>=1.49417761971
Memory used: 126 MB  Time elapsed: 86 s

 ***** [NRG] Iteration 6/66 (scale 0.15164463602348005) ***** 
[1] xi(5)=0.988164304343 zeta(6)=0
Stats: nr=52 min=1 max=2491 sum3=19501218703
Safeguard: keep additional 2 states
Emax=10.0239611453 nrkept=7972 nrkeptmult=21068 
Total energy=-2.93677078521  Egs=-0.876637129614
Kept: 7972 out of 24619, ratio=0.324
<SaSd>=5.206181477e-08
<n_a^2>=1.49178035718
<n_d^2>=1.49178035718
Memory used: 177 MB  Time elapsed: 267 s

 ***** [NRG] Iteration 7/66 (scale 0.10722895046276855) ***** 
[1] xi(6)=0.993732382824 zeta(7)=0
Stats: nr=55 min=1 max=2837 sum3=30111798662
Safeguard: keep additional 2 states
Emax=10.0289889104 nrkept=6551 nrkeptmult=17241 
Total energy=-3.09512761816  Egs=-1.47681043469
Kept: 6551 out of 30254, ratio=0.217
<SaSd>=4.66461580305e-08
<n_a^2>=1.48830258521
<n_d^2>=1.48830258521
Memory used: 139 MB  Time elapsed: 595 s

 ***** [NRG] Iteration 8/66 (scale 0.075822318011740025) ***** 
[1] xi(7)=0.996801670793 zeta(8)=0
Stats: nr=52 min=1 max=2556 sum3=23119757979
Safeguard: keep additional 2 states
Emax=10.0073466929 nrkept=7240 nrkeptmult=19052 
Total energy=-3.16422349524  Egs=-0.911286793775
Kept: 7240 out of 24879, ratio=0.291
<SaSd>=-3.11385967099e-06
<n_a^2>=1.48354612102
<n_d^2>=1.48354612102
Memory used: 152 MB  Time elapsed: 795 s

 ***** [NRG] Iteration 9/66 (scale 0.053614475231384275) ***** 
[1] xi(8)=0.998386814476 zeta(9)=0
Stats: nr=53 min=1 max=2595 sum3=26211485448
Safeguard: keep additional 3 states
Emax=10.0130056085 nrkept=6008 nrkeptmult=15764 
Total energy=-3.24194309499  Egs=-1.44960105313
Kept: 6008 out of 27454, ratio=0.219
<SaSd>=1.83302078532e-06
<n_a^2>=1.47684563322
<n_d^2>=1.47684563322
Memory used: 117 MB  Time elapsed: 1047 s

 ***** [NRG] Iteration 10/66 (scale 0.037911159005870013) ***** 
[1] xi(9)=0.999190082691 zeta(10)=0
Stats: nr=52 min=1 max=2329 sum3=29817245705
Safeguard: keep additional 6 states
Emax=10.0003661156 nrkept=6405 nrkeptmult=16800 
Total energy=-3.27754642793  Egs=-0.939125415045
Kept: 6405 out of 22755, ratio=0.281
<SaSd>=1.31247387921e-05
<n_a^2>=1.46740661431
<n_d^2>=1.46740661431
Memory used: 130 MB  Time elapsed: 1202 s

 ***** [NRG] Iteration 11/66 (scale 0.026807237615692137) ***** 
[1] xi(10)=0.999594228576 zeta(11)=0
Stats: nr=51 min=1 max=2318 sum3=28174475168
Safeguard: keep additional 1 states
Emax=10.0013985611 nrkept=5842 nrkeptmult=15260 
Total energy=-3.31560672761  Egs=-1.41977701052
Kept: 5842 out of 24282, ratio=0.241
<SaSd>=1.87904489297e-06
<n_a^2>=1.45449914095
<n_d^2>=1.45449914095
Memory used: 113 MB  Time elapsed: 1403 s

 ***** [NRG] Iteration 12/66 (scale 0.018955579502935006) ***** 
[1] xi(11)=0.999796913201 zeta(12)=0
Stats: nr=52 min=1 max=2275 sum3=26358483583
Safeguard: keep additional 3 states
Emax=10.0003236066 nrkept=5901 nrkeptmult=15360 
Total energy=-3.33385693688  Egs=-0.962788252461
Kept: 5901 out of 22127, ratio=0.267
<SaSd>=-1.09382649587e-05
<n_a^2>=1.43632191346
<n_d^2>=1.43632191346
Memory used: 115 MB  Time elapsed: 1556 s

 ***** [NRG] Iteration 13/66 (scale 0.013403618807846069) ***** 
[1] xi(12)=0.999898406582 zeta(13)=0
Stats: nr=49 min=1 max=2152 sum3=21021046516
Safeguard: keep additional 1 states
Emax=10.0014404299 nrkept=5476 nrkeptmult=14322 
Total energy=-3.3525229784  Egs=-1.39261208403
Kept: 5476 out of 22366, ratio=0.245
<SaSd>=1.80795275038e-05
<n_a^2>=1.41168701725
<n_d^2>=1.41168701725
Memory used: 106 MB  Time elapsed: 1734 s

 ***** [NRG] Iteration 14/66 (scale 0.0094777897514675032) ***** 
[1] xi(13)=0.999949190818 zeta(14)=0
Stats: nr=50 min=1 max=2143 sum3=19171140866
Safeguard: keep additional 2 states
Emax=10.0005286366 nrkept=5522 nrkeptmult=14346 
Total energy=-3.3618253471  Egs=-0.981491355052
Kept: 5522 out of 20724, ratio=0.266
<SaSd>=8.56188422559e-05
<n_a^2>=1.37883042035
<n_d^2>=1.37883042035
Memory used: 106 MB  Time elapsed: 1870 s

 ***** [NRG] Iteration 15/66 (scale 0.0067018094039230343) ***** 
[1] xi(14)=0.999974592294 zeta(15)=0
Stats: nr=49 min=1 max=2009 sum3=25232295162
Emax=10.008798984 nrkept=4850 nrkeptmult=12772 
Total energy=-3.37100747589  Egs=-1.37009697445
Kept: 4850 out of 20904, ratio=0.232
<SaSd>=0.000187138811547
<n_a^2>=1.33606869597
<n_d^2>=1.33606869597
Memory used: 93 MB  Time elapsed: 2015 s

 ***** [NRG] Iteration 16/66 (scale 0.0047388948757337516) ***** 
[1] xi(15)=0.999987295369 zeta(16)=0
Stats: nr=50 min=1 max=1921 sum3=21639061937
Safeguard: keep additional 3 states
Emax=10.001237255 nrkept=4685 nrkeptmult=12236 
Total energy=-3.375728076  Egs=-0.996139444156
Kept: 4685 out of 18411, ratio=0.254
<SaSd>=0.000455621022201
<n_a^2>=1.28405308655
<n_d^2>=1.28405308655
Memory used: 93 MB  Time elapsed: 2116 s

 ***** [NRG] Iteration 17/66 (scale 0.0033509047019615172) ***** 
[1] xi(16)=0.99999364749 zeta(17)=0
Stats: nr=43 min=1 max=1738 sum3=11095900870
Safeguard: keep additional 2 states
Emax=10.0054908737 nrkept=3772 nrkeptmult=9926 
Total energy=-3.38025422211  Egs=-1.35072361401
Kept: 3772 out of 17764, ratio=0.212
<SaSd>=0.00118735510146
<n_a^2>=1.22565674072
<n_d^2>=1.22565674072
Memory used: 76 MB  Time elapsed: 2208 s

 ***** [NRG] Iteration 18/66 (scale 0.0023694474378668758) ***** 
[1] xi(17)=0.999996823696 zeta(18)=0
Stats: nr=48 min=1 max=1531 sum3=12852152831
Safeguard: keep additional 1 states
Emax=10.0004818477 nrkept=3393 nrkeptmult=9010 
Total energy=-3.38264716776  Egs=-1.00991717146
Kept: 3393 out of 14303, ratio=0.237
<SaSd>=0.0027580421779
<n_a^2>=1.16928501963
<n_d^2>=1.16928501963
Memory used: 64 MB  Time elapsed: 2262 s

 ***** [NRG] Iteration 19/66 (scale 0.0016754523509807586) ***** 
[1] xi(18)=0.999998411836 zeta(19)=0
Stats: nr=43 min=1 max=1296 sum3=9505203980
Safeguard: keep additional 1 states
Emax=10.0016837236 nrkept=2683 nrkeptmult=7195 
Total energy=-3.38487779014  Egs=-1.33135530321
Kept: 2683 out of 12884, ratio=0.208
<SaSd>=0.00572108820654
<n_a^2>=1.12442563095
<n_d^2>=1.12442563095
Memory used: 55 MB  Time elapsed: 2301 s

 ***** [NRG] Iteration 20/66 (scale 0.0011847237189334379) ***** 
[1] xi(19)=0.999999205915 zeta(20)=0
Stats: nr=46 min=1 max=1097 sum3=4763065509
Safeguard: keep additional 1 states
Emax=10.0001855678 nrkept=2314 nrkeptmult=6346 
Total energy=-3.38609315304  Egs=-1.02586188139
Kept: 2314 out of 10179, ratio=0.227
<SaSd>=0.0105749027949
<n_a^2>=1.09722849577
<n_d^2>=1.09722849577
Memory used: 50 MB  Time elapsed: 2321 s

 ***** [NRG] Iteration 21/66 (scale 0.00083772617549037929) ***** 
[1] xi(20)=0.999999602957 zeta(21)=0
Stats: nr=41 min=1 max=920 sum3=3135235746
Emax=10.003105783 nrkept=1814 nrkeptmult=5058 
Total energy=-3.38719024952  Egs=-1.3096122683
Kept: 1814 out of 8820, ratio=0.206
<SaSd>=0.0176013201591
<n_a^2>=1.0847929435
<n_d^2>=1.0847929435
Memory used: 39 MB  Time elapsed: 2335 s

 ***** [NRG] Iteration 22/66 (scale 0.00059236185946671895) ***** 
[1] xi(21)=0.999999801478 zeta(22)=0
Stats: nr=46 min=1 max=749 sum3=1538953676
Safeguard: keep additional 1 states
Emax=10.0010139806 nrkept=1717 nrkeptmult=4802 
Total energy=-3.38780954284  Egs=-1.04546454242
Kept: 1717 out of 6926, ratio=0.248
<SaSd>=0.0273477356727
<n_a^2>=1.08058800865
<n_d^2>=1.08058800865
Memory used: 37 MB  Time elapsed: 2341 s

 ***** [NRG] Iteration 23/66 (scale 0.00041886308774518965) ***** 
[1] xi(22)=0.999999900739 zeta(23)=0
Stats: nr=41 min=1 max=700 sum3=1315374820
Safeguard: keep additional 3 states
Emax=10.0071629463 nrkept=1504 nrkeptmult=4296 
Total energy=-3.38834753718  Egs=-1.28441574785
Kept: 1504 out of 6562, ratio=0.229
<SaSd>=0.0408380818482
<n_a^2>=1.07944785647
<n_d^2>=1.07944785647
Memory used: 36 MB  Time elapsed: 2347 s

 ***** [NRG] Iteration 24/66 (scale 0.00029618092973335947) ***** 
[1] xi(23)=0.99999995037 zeta(24)=0
Stats: nr=46 min=1 max=605 sum3=850805907
Safeguard: keep additional 1 states
Emax=10.0011679952 nrkept=1450 nrkeptmult=4120 
Total energy=-3.38866422002  Egs=-1.06922089341
Kept: 1450 out of 5751, ratio=0.252
<SaSd>=0.0586427700215
<n_a^2>=1.07937589679
<n_d^2>=1.07937589679
Memory used: 36 MB  Time elapsed: 2350 s

 ***** [NRG] Iteration 25/66 (scale 0.00020943154387259482) ***** 
[1] xi(24)=0.999999975185 zeta(25)=0
Stats: nr=41 min=1 max=593 sum3=787610696
Safeguard: keep additional 4 states
Emax=10.000183973 nrkept=1443 nrkeptmult=4141 
Total energy=-3.38892713611  Egs=-1.25537958536
Kept: 1443 out of 5552, ratio=0.26
<SaSd>=0.0812012732089
<n_a^2>=1.07973195617
<n_d^2>=1.07973195617
Memory used: 36 MB  Time elapsed: 2354 s

 ***** [NRG] Iteration 26/66 (scale 0.00014809046486667974) ***** 
[1] xi(25)=0.999999987592 zeta(26)=0
Stats: nr=44 min=1 max=583 sum3=759661139
Safeguard: keep additional 1 states
Emax=10.005740508 nrkept=1422 nrkeptmult=4026 
Total energy=-3.38908964754  Egs=-1.09737943195
Kept: 1422 out of 5531, ratio=0.257
<SaSd>=0.108611583468
<n_a^2>=1.08030414542
<n_d^2>=1.08030414542
Memory used: 37 MB  Time elapsed: 2357 s

 ***** [NRG] Iteration 27/66 (scale 0.00010471577193629741) ***** 
[1] xi(26)=0.999999993796 zeta(27)=0
Stats: nr=41 min=1 max=583 sum3=747324222
Safeguard: keep additional 3 states
Emax=10.0000197613 nrkept=1345 nrkeptmult=3879 
Total energy=-3.38921764924  Egs=-1.22237275008
Kept: 1345 out of 5442, ratio=0.247
<SaSd>=0.138795424593
<n_a^2>=1.08096853048
<n_d^2>=1.08096853048
Memory used: 37 MB  Time elapsed: 2361 s

 ***** [NRG] Iteration 28/66 (scale 7.4045232433339868e-05) ***** 
[1] xi(27)=0.999999996898 zeta(28)=0
Stats: nr=44 min=1 max=544 sum3=618792832
Safeguard: keep additional 2 states
Emax=10.0052919745 nrkept=1251 nrkeptmult=3604 
Total energy=-3.38930133259  Egs=-1.13016518758
Kept: 1251 out of 5152, ratio=0.243
<SaSd>=0.167780014115
<n_a^2>=1.08163060304
<n_d^2>=1.08163060304
Memory used: 37 MB  Time elapsed: 2363 s

 ***** [NRG] Iteration 29/66 (scale 5.2357885968148706e-05) ***** 
[1] xi(28)=0.999999998449 zeta(29)=0
Stats: nr=39 min=1 max=513 sum3=504795304
Safeguard: keep additional 2 states
Emax=10.0172095643 nrkept=1221 nrkeptmult=3573 
Total energy=-3.38936340172  Egs=-1.18547832501
Kept: 1221 out of 4798, ratio=0.254
<SaSd>=0.190147841937
<n_a^2>=1.08218681617
<n_d^2>=1.08218681617
Memory used: 37 MB  Time elapsed: 2366 s

 ***** [NRG] Iteration 30/66 (scale 3.7022616216669934e-05) ***** 
[1] xi(29)=0.999999999225 zeta(30)=0
Stats: nr=44 min=1 max=484 sum3=449919111
Safeguard: keep additional 1 states
Emax=10.0021531661 nrkept=1136 nrkeptmult=3336 
Total energy=-3.38940663186  Egs=-1.16766834659
Kept: 1136 out of 4683, ratio=0.243
<SaSd>=0.20319837115
<n_a^2>=1.08258556706
<n_d^2>=1.08258556706
Memory used: 38 MB  Time elapsed: 2368 s

 ***** [NRG] Iteration 31/66 (scale 2.6178942984074353e-05) ***** 
[1] xi(30)=0.999999999612 zeta(31)=0
Stats: nr=39 min=1 max=462 sum3=366961620
Safeguard: keep additional 3 states
Emax=10.0043039788 nrkept=1054 nrkeptmult=3136 
Total energy=-3.38943661088  Egs=-1.1451578304
Kept: 1054 out of 4362, ratio=0.242
<SaSd>=0.208254591874
<n_a^2>=1.08283746921
<n_d^2>=1.08283746921
Memory used: 38 MB  Time elapsed: 2370 s

 ***** [NRG] Iteration 32/66 (scale 1.8511308108334967e-05) ***** 
[1] xi(31)=0.999999999806 zeta(32)=0
Stats: nr=44 min=1 max=411 sum3=291666244
Safeguard: keep additional 2 states
Emax=10.0097259498 nrkept=1003 nrkeptmult=3032 
Total energy=-3.38945900192  Egs=-1.20958715834
Kept: 1003 out of 4060, ratio=0.247
<SaSd>=0.209304486595
<n_a^2>=1.08300048201
<n_d^2>=1.08300048201
Memory used: 39 MB  Time elapsed: 2371 s

 ***** [NRG] Iteration 33/66 (scale 1.3089471492037176e-05) ***** 
[1] xi(32)=0.999999999903 zeta(33)=0
Stats: nr=39 min=1 max=405 sum3=244009952
Safeguard: keep additional 1 states
Emax=10.0025785517 nrkept=1004 nrkeptmult=3020 
Total energy=-3.38947343257  Egs=-1.10246237431
Kept: 1004 out of 3866, ratio=0.26
<SaSd>=0.209334378719
<n_a^2>=1.0831220565
<n_d^2>=1.0831220565
Memory used: 39 MB  Time elapsed: 2373 s

 ***** [NRG] Iteration 34/66 (scale 9.2556540541674836e-06) ***** 
[1] xi(33)=0.999999999952 zeta(34)=0
Stats: nr=44 min=1 max=378 sum3=245743722
Emax=10.0005946172 nrkept=965 nrkeptmult=2894 
Total energy=-3.38948504778  Egs=-1.25493084411
Kept: 965 out of 3870, ratio=0.249
<SaSd>=0.209287526699
<n_a^2>=1.0832196826
<n_d^2>=1.0832196826
Memory used: 38 MB  Time elapsed: 2374 s

 ***** [NRG] Iteration 35/66 (scale 6.5447357460185882e-06) ***** 
[1] xi(34)=0.999999999976 zeta(35)=0
Stats: nr=38 min=1 max=394 sum3=221199622
Safeguard: keep additional 2 states
Emax=10.0047005774 nrkept=994 nrkeptmult=2964 
Total energy=-3.38949197955  Egs=-1.05913688166
Kept: 994 out of 3718, ratio=0.267
<SaSd>=0.20925007966
<n_a^2>=1.08329771196
<n_d^2>=1.08329771196
Memory used: 39 MB  Time elapsed: 2375 s

 ***** [NRG] Iteration 36/66 (scale 4.6278270270837418e-06) ***** 
[1] xi(35)=0.999999999988 zeta(36)=0
Stats: nr=44 min=1 max=378 sum3=240032182
Safeguard: keep additional 2 states
Emax=10.0173629661 nrkept=944 nrkeptmult=2796 
Total energy=-3.38949800423  Egs=-1.30183730539
Kept: 944 out of 3826, ratio=0.247
<SaSd>=0.209220460913
<n_a^2>=1.08335942956
<n_d^2>=1.08335942956
Memory used: 39 MB  Time elapsed: 2376 s

 ***** [NRG] Iteration 37/66 (scale 3.2723678730092941e-06) ***** 
[1] xi(36)=0.999999999994 zeta(37)=0
Stats: nr=38 min=1 max=388 sum3=211609132
Emax=10.0015243872 nrkept=972 nrkeptmult=2858 
Total energy=-3.38950133367  Egs=-1.01744082683
Kept: 972 out of 3634, ratio=0.267
<SaSd>=0.209197588857
<n_a^2>=1.08340708898
<n_d^2>=1.08340708898
Memory used: 40 MB  Time elapsed: 2378 s

 ***** [NRG] Iteration 38/66 (scale 2.3139135135418709e-06) ***** 
[1] xi(37)=0.999999999997 zeta(38)=0
Stats: nr=42 min=1 max=377 sum3=229985285
Safeguard: keep additional 3 states
Emax=10.0104627424 nrkept=922 nrkeptmult=2692 
Total energy=-3.3895044522  Egs=-1.34773141077
Kept: 922 out of 3737, ratio=0.247
<SaSd>=0.209180187909
<n_a^2>=1.0834433481
<n_d^2>=1.0834433481
Memory used: 40 MB  Time elapsed: 2379 s

 ***** [NRG] Iteration 39/66 (scale 1.6361839365046471e-06) ***** 
[1] xi(38)=0.999999999998 zeta(39)=0
Stats: nr=40 min=1 max=377 sum3=196498392
Safeguard: keep additional 3 states
Emax=10.0048446753 nrkept=964 nrkeptmult=2814 
Total energy=-3.38950605504  Egs=-0.979621012803
Kept: 964 out of 3540, ratio=0.272
<SaSd>=0.209167327447
<n_a^2>=1.08347014603
<n_d^2>=1.08347014603
Memory used: 40 MB  Time elapsed: 2380 s

 ***** [NRG] Iteration 40/66 (scale 1.1569567567709354e-06) ***** 
[1] xi(39)=0.999999999999 zeta(40)=0
Stats: nr=42 min=1 max=379 sum3=226139205
Safeguard: keep additional 1 states
Emax=10.0151025591 nrkept=892 nrkeptmult=2586 
Total energy=-3.38950766314  Egs=-1.38993356397
Kept: 892 out of 3705, ratio=0.241
<SaSd>=0.209157995036
<n_a^2>=1.08348959242
<n_d^2>=1.08348959242
Memory used: 40 MB  Time elapsed: 2381 s

 ***** [NRG] Iteration 41/66 (scale 8.1809196825232353e-07) ***** 
[1] xi(40)=1 zeta(41)=0
Stats: nr=40 min=1 max=368 sum3=181720584
Safeguard: keep additional 2 states
Emax=10.0047264556 nrkept=921 nrkeptmult=2641 
Total energy=-3.38950843808  Egs=-0.947262212286
Kept: 921 out of 3426, ratio=0.269
<SaSd>=0.20915145552
<n_a^2>=1.08350321912
<n_d^2>=1.08350321912
Memory used: 40 MB  Time elapsed: 2382 s

 ***** [NRG] Iteration 42/66 (scale 5.7847837838546772e-07) ***** 
[1] xi(41)=1 zeta(42)=0
Stats: nr=42 min=1 max=373 sum3=204658457
Safeguard: keep additional 2 states
Emax=10.0052772505 nrkept=865 nrkeptmult=2454 
Total energy=-3.38950926326  Egs=-1.42645967526
Kept: 865 out of 3533, ratio=0.245
<SaSd>=0.209146968058
<n_a^2>=1.08351256987
<n_d^2>=1.08351256987
Memory used: 40 MB  Time elapsed: 2383 s

 ***** [NRG] Iteration 43/66 (scale 4.0904598412616176e-07) ***** 
[1] xi(42)=1 zeta(43)=0
Stats: nr=40 min=1 max=360 sum3=170498618
Safeguard: keep additional 1 states
Emax=10.0007148348 nrkept=901 nrkeptmult=2535 
Total energy=-3.38950963996  Egs=-0.920921788762
Kept: 901 out of 3314, ratio=0.272
<SaSd>=0.209143995723
<n_a^2>=1.08351876347
<n_d^2>=1.08351876347
Memory used: 40 MB  Time elapsed: 2384 s

 ***** [NRG] Iteration 44/66 (scale 2.8923918919273386e-07) ***** 
[1] xi(43)=1 zeta(44)=0
Stats: nr=42 min=1 max=371 sum3=193738822
Safeguard: keep additional 3 states
Emax=10.0097802571 nrkept=846 nrkeptmult=2388 
Total energy=-3.38951006124  Egs=-1.45650216812
Kept: 846 out of 3448, ratio=0.245
<SaSd>=0.209142064014
<n_a^2>=1.08352278867
<n_d^2>=1.08352278867
Memory used: 40 MB  Time elapsed: 2385 s

 ***** [NRG] Iteration 45/66 (scale 2.0452299206308088e-07) ***** 
[1] xi(44)=1 zeta(45)=0
Stats: nr=40 min=1 max=352 sum3=160015032
Safeguard: keep additional 1 states
Emax=10.0078698209 nrkept=890 nrkeptmult=2464 
Total energy=-3.38951024536  Egs=-0.900236887749
Kept: 890 out of 3240, ratio=0.275
<SaSd>=0.209140845488
<n_a^2>=1.08352532777
<n_d^2>=1.08352532777
Memory used: 40 MB  Time elapsed: 2386 s

 ***** [NRG] Iteration 46/66 (scale 1.4461959459636693e-07) ***** 
[1] xi(45)=1 zeta(46)=0
Stats: nr=42 min=1 max=372 sum3=191057321
Safeguard: keep additional 2 states
Emax=10.0101136992 nrkept=826 nrkeptmult=2296 
Total energy=-3.38951045944  Egs=-1.48033852245
Kept: 826 out of 3401, ratio=0.243
<SaSd>=0.209140089275
<n_a^2>=1.08352690353
<n_d^2>=1.08352690353
Memory used: 40 MB  Time elapsed: 2387 s

 ***** [NRG] Iteration 47/66 (scale 1.0226149603154044e-07) ***** 
[1] xi(46)=1 zeta(47)=0
Stats: nr=40 min=1 max=346 sum3=153298126
Safeguard: keep additional 2 states
Emax=10.014477303 nrkept=892 nrkeptmult=2436 
Total energy=-3.38951054987  Egs=-0.884319406738
Kept: 892 out of 3160, ratio=0.282
<SaSd>=0.209139631675
<n_a^2>=1.08352785705
<n_d^2>=1.08352785705
Memory used: 40 MB  Time elapsed: 2388 s

 ***** [NRG] Iteration 48/66 (scale 7.2309797298183465e-08) ***** 
[1] xi(47)=1 zeta(48)=0
Stats: nr=40 min=1 max=374 sum3=192351971
Safeguard: keep additional 1 states
Emax=10.0384849892 nrkept=812 nrkeptmult=2246 
Total energy=-3.38951065826  Egs=-1.49888230501
Kept: 812 out of 3401, ratio=0.239
<SaSd>=0.209139356344
<n_a^2>=1.08352843078
<n_d^2>=1.08352843078
Memory used: 41 MB  Time elapsed: 2389 s

 ***** [NRG] Iteration 49/66 (scale 5.113074801577022e-08) ***** 
[1] xi(48)=1 zeta(49)=0
Stats: nr=40 min=1 max=338 sum3=145360274
Emax=10.0049383388 nrkept=893 nrkeptmult=2437 
Total energy=-3.38951070285  Egs=-0.872144656357
Kept: 893 out of 3104, ratio=0.288
<SaSd>=0.209139194393
<n_a^2>=1.08352876824
<n_d^2>=1.08352876824
Memory used: 40 MB  Time elapsed: 2390 s

 ***** [NRG] Iteration 50/66 (scale 3.6154898649091733e-08) ***** 
[1] xi(49)=1 zeta(50)=0
Stats: nr=40 min=1 max=375 sum3=193041116
Emax=10.0043228117 nrkept=803 nrkeptmult=2206 
Total energy=-3.38951075756  Egs=-1.5132323539
Kept: 803 out of 3404, ratio=0.236
<SaSd>=0.209139098602
<n_a^2>=1.08352896784
<n_d^2>=1.08352896784
Memory used: 41 MB  Time elapsed: 2391 s

 ***** [NRG] Iteration 51/66 (scale 2.556537400788511e-08) ***** 
[1] xi(50)=1 zeta(51)=0
Stats: nr=40 min=1 max=334 sum3=141464048
Emax=10.0473720722 nrkept=901 nrkeptmult=2449 
Total energy=-3.38951077962  Egs=-0.862786100008
Kept: 901 out of 3068, ratio=0.294
<SaSd>=0.20913904336
<n_a^2>=1.08352908296
<n_d^2>=1.08352908296
Memory used: 41 MB  Time elapsed: 2392 s

 ***** [NRG] Iteration 52/66 (scale 1.8077449324545866e-08) ***** 
[1] xi(51)=1 zeta(52)=0
Stats: nr=40 min=1 max=379 sum3=197528124
Safeguard: keep additional 1 states
Emax=10.0547870492 nrkept=796 nrkeptmult=2170 
Total energy=-3.38951080718  Egs=-1.52439826464
Kept: 796 out of 3432, ratio=0.232
<SaSd>=0.209139010897
<n_a^2>=1.0835291506
<n_d^2>=1.0835291506
Memory used: 41 MB  Time elapsed: 2393 s

 ***** [NRG] Iteration 53/66 (scale 1.2782687003942555e-08) ***** 
[1] xi(52)=1 zeta(53)=0
Stats: nr=40 min=1 max=334 sum3=140598232
Emax=10.0290847251 nrkept=901 nrkeptmult=2449 
Total energy=-3.38951081811  Egs=-0.855502664471
Kept: 901 out of 3040, ratio=0.296
<SaSd>=0.209138992404
<n_a^2>=1.08352918914
<n_d^2>=1.08352918914
Memory used: 41 MB  Time elapsed: 2393 s

 ***** [NRG] Iteration 54/66 (scale 9.0387246622729332e-09) ***** 
[1] xi(53)=1 zeta(54)=0
Stats: nr=40 min=1 max=379 sum3=197528124
Safeguard: keep additional 1 states
Emax=10.025867483 nrkept=796 nrkeptmult=2166 
Total energy=-3.38951083197  Egs=-1.53319540507
Kept: 796 out of 3432, ratio=0.232
<SaSd>=0.209138981527
<n_a^2>=1.0835292118
<n_d^2>=1.0835292118
Memory used: 42 MB  Time elapsed: 2394 s

 ***** [NRG] Iteration 55/66 (scale 6.3913435019712775e-09) ***** 
[1] xi(54)=1 zeta(55)=0
Stats: nr=40 min=1 max=336 sum3=141913786
Emax=10.012129105 nrkept=901 nrkeptmult=2449 
Total energy=-3.3895108374  Egs=-0.849739979968
Kept: 901 out of 3040, ratio=0.296
<SaSd>=0.209138975356
<n_a^2>=1.08352922466
<n_d^2>=1.08352922466
Memory used: 41 MB  Time elapsed: 2395 s

 ***** [NRG] Iteration 56/66 (scale 4.5193623311364666e-09) ***** 
[1] xi(55)=1 zeta(56)=0
Stats: nr=40 min=1 max=379 sum3=197528124
Safeguard: keep additional 1 states
Emax=10.0156357076 nrkept=802 nrkeptmult=2172 
Total energy=-3.38951084436  Egs=-1.54023874512
Kept: 802 out of 3432, ratio=0.234
<SaSd>=0.20913897171
<n_a^2>=1.08352923226
<n_d^2>=1.08352923226
Memory used: 42 MB  Time elapsed: 2396 s

 ***** [NRG] Iteration 57/66 (scale 3.1956717509856388e-09) ***** 
[1] xi(56)=1 zeta(57)=0
Stats: nr=40 min=1 max=336 sum3=143905192
Safeguard: keep additional 1 states
Emax=10.0060723493 nrkept=903 nrkeptmult=2453 
Total energy=-3.38951084706  Egs=-0.84509756371
Kept: 903 out of 3058, ratio=0.295
<SaSd>=0.209138969642
<n_a^2>=1.08352923657
<n_d^2>=1.08352923657
Memory used: 41 MB  Time elapsed: 2397 s

 ***** [NRG] Iteration 58/66 (scale 2.2596811655682333e-09) ***** 
[1] xi(57)=1 zeta(58)=0
Stats: nr=40 min=1 max=381 sum3=199615376
Safeguard: keep additional 1 states
Emax=10.0151547382 nrkept=804 nrkeptmult=2174 
Total energy=-3.38951085056  Egs=-1.5459762185
Kept: 804 out of 3440, ratio=0.234
<SaSd>=0.209138968409
<n_a^2>=1.08352923913
<n_d^2>=1.08352923913
Memory used: 42 MB  Time elapsed: 2398 s

 ***** [NRG] Iteration 59/66 (scale 1.5978358754928194e-09) ***** 
[1] xi(58)=1 zeta(59)=0
Stats: nr=40 min=1 max=336 sum3=144834322
Emax=10.0014818437 nrkept=916 nrkeptmult=2478 
Total energy=-3.3895108519  Egs=-0.841290338333
Kept: 916 out of 3064, ratio=0.299
<SaSd>=0.209138967707
<n_a^2>=1.0835292406
<n_d^2>=1.0835292406
Memory used: 41 MB  Time elapsed: 2399 s

 ***** [NRG] Iteration 60/66 (scale 1.1298405827841166e-09) ***** 
[1] xi(59)=1 zeta(60)=0
Stats: nr=40 min=1 max=388 sum3=208879262
Safeguard: keep additional 1 states
Emax=10.0033155238 nrkept=804 nrkeptmult=2174 
Total energy=-3.38951085365  Egs=-1.55072946618
Kept: 804 out of 3488, ratio=0.231
<SaSd>=0.209138967286
<n_a^2>=1.08352924147
<n_d^2>=1.08352924147
Memory used: 42 MB  Time elapsed: 2400 s

 ***** [NRG] Iteration 61/66 (scale 7.9891793774640969e-10) ***** 
[1] xi(60)=1 zeta(61)=0
Stats: nr=40 min=1 max=336 sum3=144834322
Emax=10.0110752095 nrkept=923 nrkeptmult=2491 
Total energy=-3.38951085432  Egs=-0.838115702151
Kept: 923 out of 3064, ratio=0.301
<SaSd>=0.209138967044
<n_a^2>=1.08352924198
<n_d^2>=1.08352924198
Memory used: 41 MB  Time elapsed: 2401 s

 ***** [NRG] Iteration 62/66 (scale 5.6492029139205832e-10) ***** 
[1] xi(61)=1 zeta(62)=0
Stats: nr=40 min=1 max=393 sum3=215138583
Emax=10.0369622269 nrkept=805 nrkeptmult=2176 
Total energy=-3.3895108552  Egs=-1.55472918734
Kept: 805 out of 3513, ratio=0.229
<SaSd>=0.209138966897
<n_a^2>=1.08352924228
<n_d^2>=1.08352924228
Memory used: 42 MB  Time elapsed: 2402 s

 ***** [NRG] Iteration 63/66 (scale 3.9945896887320485e-10) ***** 
[1] xi(62)=1 zeta(63)=0
Stats: nr=40 min=1 max=337 sum3=145863974
Safeguard: keep additional 2 states
Emax=10.0194274354 nrkept=932 nrkeptmult=2512 
Total energy=-3.38951085553  Egs=-0.835428661884
Kept: 932 out of 3068, ratio=0.304
<SaSd>=0.209138966812
<n_a^2>=1.08352924246
<n_d^2>=1.08352924246
Memory used: 42 MB  Time elapsed: 2403 s

 ***** [NRG] Iteration 64/66 (scale 2.8246014569602916e-10) ***** 
[1] xi(63)=1 zeta(64)=0
Stats: nr=40 min=1 max=398 sum3=222658263
Emax=10.0294024673 nrkept=805 nrkeptmult=2176 
Total energy=-3.38951085597  Egs=-1.55814206822
Kept: 805 out of 3549, ratio=0.227
<SaSd>=0.20913896676
<n_a^2>=1.08352924257
<n_d^2>=1.08352924257
Memory used: 43 MB  Time elapsed: 2404 s

 ***** [NRG] Iteration 65/66 (scale 1.9972948443660242e-10) ***** 
[1] xi(64)=1 zeta(65)=0
Stats: nr=40 min=1 max=337 sum3=145863974
Safeguard: keep additional 2 states
Emax=10.003700788 nrkept=932 nrkeptmult=2512 
Total energy=-3.38951085614  Egs=-0.833124162501
Kept: 932 out of 3068, ratio=0.304
<SaSd>=0.209138966729
<n_a^2>=1.08352924263
<n_d^2>=1.08352924263
Memory used: 42 MB  Time elapsed: 2405 s

 ***** [NRG] Iteration 66/66 (scale 1.4123007284801458e-10) ***** 
[1] xi(65)=1 zeta(66)=0
Stats: nr=40 min=1 max=398 sum3=222658263
Emax=10.022556206 nrkept=805 nrkeptmult=2176 
Total energy=-3.38951085636  Egs=-1.56109005866
Kept: 805 out of 3549, ratio=0.227
<SaSd>=0.209138966711
<n_a^2>=1.08352924267
<n_d^2>=1.08352924267
Memory used: 43 MB  Time elapsed: 2406 s

** Iteration completed.


Total energy:             -3.389510856361191
TKW=3.39739159457e-07
Grand canonical Z=              19.35340626561277
Zft (last shell)=               19.31727173842508

Memory usage report
===================
  after diag: 565732 kB
after recalc: 304204 kB
 after split: 917912 kB
  after trim: 182176 kB
 after trunc: 566476 kB
      diag_h: 570084 kB

Peak usage: 917912 kB

Timing report
=============
         All: 2407 s
        diag: 2294 s
    recalc s: 32 s
       Other: 80 s
