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=1.18759861984e-10
Nmax=66
Tmin=1e-10
Ninit=0
Lambda=2
strategy=kept
lastall=0
lastalloverride=0
z=1
discretization=Z
band=flat
betabar=1
T=1.18759861984e-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=	1.
>>  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=1
# keep=10000 keepenergy=10 Nmax=66 channels=1 dots=2 betabar=1

Number of invariant subspaces: 10
(-3 1) 1 states
0.0604871703115 
(-2 2) 3 states
0.0308320438013 0.0555858795941 0.0852410061043 
(-1 1) 6 states
0.00243563964102 0.0308320438013 0.0531502399531 0.0604871703115 0.0852410061043 0.111171759188 
(-1 3) 3 states
0.0259307530839 0.0555858795941 0.080339715387 
(0 2) 8 states
0 0.0259307530839 0.0308320438013 0.0555858795941 0.0580215192352 0.080339715387 0.0852410061043 0.108736119547 
(0 4) 1 states
0.0506845888768 
(1 1) 6 states
0.00243563964102 0.0308320438013 0.0531502399531 0.0604871703115 0.0852410061043 0.111171759188 
(1 3) 3 states
0.0259307530839 0.0555858795941 0.080339715387 
(2 2) 3 states
0.0308320438013 0.0555858795941 0.0852410061043 
(3 1) 1 states
0.0604871703115 
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>=2.06629232143e-12
<n_a^2>=1.49877482967
<n_d^2>=1.49877482967

 ***** [NRG] Iteration 1/66 (scale 0.72134752044448169) ***** 
[1] xi(0)=0.755928946018 zeta(1)=0
Stats: nr=15 min=1 max=20 sum3=30066
Emax=3.04142542975 nrkept=126 nrkeptmult=256 
Total energy=-1.09196234618  Egs=-1.44210241008
Kept: 126 out of 126, ratio=1
<SaSd>=1.04507719248e-11
<n_a^2>=1.49826754
<n_d^2>=1.49826754
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 2/66 (scale 0.51006972329839473) ***** 
[1] xi(1)=0.814613079963 zeta(2)=0
Stats: nr=21 min=1 max=75 sum3=1007202
Emax=5.51625101878 nrkept=462 nrkeptmult=1024 
Total energy=-1.4018363154  Egs=-0.607512963542
Kept: 462 out of 462, ratio=1
<SaSd>=5.38812931166e-11
<n_a^2>=1.49755045717
<n_d^2>=1.49755045717
Memory used: 5 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 3/66 (scale 0.36067376022224085) ***** 
[1] xi(2)=0.892494029723 zeta(3)=0
Stats: nr=28 min=1 max=210 sum3=37226316
Emax=10.0082489963 nrkept=1683 nrkeptmult=4035 
Total energy=-1.92519400733  Egs=-1.45105563434
Kept: 1683 out of 1716, ratio=0.981
<SaSd>=3.39585627848e-09
<n_a^2>=1.49653447939
<n_d^2>=1.49653447939
Memory used: 19 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 4/66 (scale 0.25503486164919736) ***** 
[1] xi(3)=0.942104180991 zeta(4)=0
Stats: nr=36 min=1 max=763 sum3=1383319348
Safeguard: keep additional 3 states
Emax=10.8983911555 nrkept=4729 nrkeptmult=12170 
Total energy=-2.13056721958  Egs=-0.805275055047
Kept: 4729 out of 6316, ratio=0.749
<SaSd>=1.1573570974e-07
<n_a^2>=1.49510564797
<n_d^2>=1.49510564797
Memory used: 76 MB  Time elapsed: 5 s

 ***** [NRG] Iteration 5/66 (scale 0.18033688011112042) ***** 
[1] xi(4)=0.96993426226 zeta(5)=0
Stats: nr=45 min=1 max=1708 sum3=10966633880
Safeguard: keep additional 3 states
Emax=10.0106445749 nrkept=6090 nrkeptmult=16094 
Total energy=-2.39751809508  Egs=-1.48028997363
Kept: 6090 out of 17888, ratio=0.34
<SaSd>=2.05222536932e-08
<n_a^2>=1.49299801236
<n_d^2>=1.49299801236
Memory used: 110 MB  Time elapsed: 75 s

 ***** [NRG] Iteration 6/66 (scale 0.12751743082459868) ***** 
[1] xi(5)=0.984675515632 zeta(6)=0
Stats: nr=52 min=1 max=2350 sum3=27066123341
Emax=10.0127819473 nrkept=7630 nrkeptmult=20164 
Total energy=-2.50958441877  Egs=-0.878831411192
Kept: 7630 out of 23131, ratio=0.33
<SaSd>=-5.65366700984e-07
<n_a^2>=1.49017416704
<n_d^2>=1.49017416704
Memory used: 165 MB  Time elapsed: 223 s

 ***** [NRG] Iteration 7/66 (scale 0.090168440055560212) ***** 
[1] xi(6)=0.992263204714 zeta(7)=0
Stats: nr=55 min=1 max=2723 sum3=21759347652
Safeguard: keep additional 3 states
Emax=10.0003582933 nrkept=6088 nrkeptmult=15964 
Total energy=-2.64196643899  Egs=-1.46816358516
Kept: 6088 out of 28958, ratio=0.21
<SaSd>=-2.46684330035e-07
<n_a^2>=1.48611523335
<n_d^2>=1.48611523335
Memory used: 121 MB  Time elapsed: 503 s

 ***** [NRG] Iteration 8/66 (scale 0.063758715412299341) ***** 
[1] xi(7)=0.996112749408 zeta(8)=0
Stats: nr=52 min=1 max=2369 sum3=27830102277
Emax=10.0004642079 nrkept=6914 nrkeptmult=18084 
Total energy=-2.70042062972  Egs=-0.916803143848
Kept: 6914 out of 23063, ratio=0.3
<SaSd>=-3.21257611832e-06
<n_a^2>=1.48047816246
<n_d^2>=1.48047816246
Memory used: 141 MB  Time elapsed: 662 s

 ***** [NRG] Iteration 9/66 (scale 0.045084220027780106) ***** 
[1] xi(8)=0.998051634085 zeta(9)=0
Stats: nr=53 min=1 max=2493 sum3=21352563616
Safeguard: keep additional 3 states
Emax=10.0214615005 nrkept=6008 nrkeptmult=15764 
Total energy=-2.76540950202  Egs=-1.44149931513
Kept: 6008 out of 26206, ratio=0.229
<SaSd>=2.04386811327e-06
<n_a^2>=1.47255572825
<n_d^2>=1.47255572825
Memory used: 124 MB  Time elapsed: 898 s

 ***** [NRG] Iteration 10/66 (scale 0.031879357706149671) ***** 
[1] xi(9)=0.99902462843 zeta(10)=0
Stats: nr=52 min=1 max=2329 sum3=29817245705
Safeguard: keep additional 2 states
Emax=10.0533102898 nrkept=6336 nrkeptmult=16652 
Total energy=-2.79553555515  Egs=-0.945001885087
Kept: 6336 out of 22755, ratio=0.278
<SaSd>=1.27392290259e-05
<n_a^2>=1.46139526362
<n_d^2>=1.46139526362
Memory used: 128 MB  Time elapsed: 1060 s

 ***** [NRG] Iteration 11/66 (scale 0.022542110013890053) ***** 
[1] xi(10)=0.999512016628 zeta(11)=0
Stats: nr=51 min=1 max=2301 sum3=26574944100
Safeguard: keep additional 3 states
Emax=10.0004477648 nrkept=5822 nrkeptmult=15216 
Total energy=-2.82737478867  Egs=-1.41243359677
Kept: 5822 out of 24022, ratio=0.242
<SaSd>=6.50578804385e-06
<n_a^2>=1.44620601855
<n_d^2>=1.44620601855
Memory used: 118 MB  Time elapsed: 1262 s

 ***** [NRG] Iteration 12/66 (scale 0.015939678853074835) ***** 
[1] xi(11)=0.999755933863 zeta(12)=0
Stats: nr=52 min=1 max=2265 sum3=25823383507
Safeguard: keep additional 3 states
Emax=10.0288432033 nrkept=5777 nrkeptmult=15068 
Total energy=-2.84280171758  Egs=-0.967831852034
Kept: 5777 out of 22055, ratio=0.262
<SaSd>=7.010057474e-07
<n_a^2>=1.42493000682
<n_d^2>=1.42493000682
Memory used: 116 MB  Time elapsed: 1417 s

 ***** [NRG] Iteration 13/66 (scale 0.011271055006945026) ***** 
[1] xi(12)=0.999877948312 zeta(13)=0
Stats: nr=51 min=1 max=2104 sum3=17838371288
Emax=10.0211127563 nrkept=5455 nrkeptmult=14285 
Total energy=-2.85842914652  Egs=-1.38650986416
Kept: 5455 out of 21890, ratio=0.249
<SaSd>=3.24520668623e-05
<n_a^2>=1.39637214246
<n_d^2>=1.39637214246
Memory used: 107 MB  Time elapsed: 1578 s

 ***** [NRG] Iteration 14/66 (scale 0.0079698394265374176) ***** 
[1] xi(13)=0.9999389695 zeta(14)=0
Stats: nr=50 min=1 max=2129 sum3=18626286729
Safeguard: keep additional 4 states
Emax=10.0007882716 nrkept=5431 nrkeptmult=14074 
Total energy=-2.86628268481  Egs=-0.98540734186
Kept: 5431 out of 20647, ratio=0.263
<SaSd>=0.000113187797852
<n_a^2>=1.35881208399
<n_d^2>=1.35881208399
Memory used: 104 MB  Time elapsed: 1707 s

 ***** [NRG] Iteration 15/66 (scale 0.0056355275034725132) ***** 
[1] xi(14)=0.999969483586 zeta(15)=0
Stats: nr=45 min=1 max=1980 sum3=23679546424
Safeguard: keep additional 1 states
Emax=10.0030643976 nrkept=4616 nrkeptmult=12216 
Total energy=-2.87397553789  Egs=-1.3650635334
Kept: 4616 out of 20566, ratio=0.224
<SaSd>=0.0002971402199
<n_a^2>=1.31106100266
<n_d^2>=1.31106100266
Memory used: 90 MB  Time elapsed: 1843 s

 ***** [NRG] Iteration 16/66 (scale 0.0039849197132687088) ***** 
[1] xi(15)=0.999984741502 zeta(16)=0
Stats: nr=50 min=1 max=1837 sum3=18330510653
Safeguard: keep additional 2 states
Emax=10.0006797638 nrkept=4444 nrkeptmult=11640 
Total energy=-2.87795854469  Egs=-0.999519961035
Kept: 4444 out of 17535, ratio=0.253
<SaSd>=0.000731152763412
<n_a^2>=1.2553141611
<n_d^2>=1.2553141611
Memory used: 88 MB  Time elapsed: 1930 s

 ***** [NRG] Iteration 17/66 (scale 0.0028177637517362566) ***** 
[1] xi(16)=0.999992370678 zeta(17)=0
Stats: nr=43 min=1 max=1656 sum3=16374883126
Safeguard: keep additional 2 states
Emax=10.0046633048 nrkept=3576 nrkeptmult=9490 
Total energy=-2.88175123509  Egs=-1.34599303953
Kept: 3576 out of 16856, ratio=0.212
<SaSd>=0.00181792428063
<n_a^2>=1.19663005294
<n_d^2>=1.19663005294
Memory used: 73 MB  Time elapsed: 2012 s

 ***** [NRG] Iteration 18/66 (scale 0.0019924598566343544) ***** 
[1] xi(17)=0.999996185321 zeta(18)=0
Stats: nr=48 min=1 max=1448 sum3=10937991019
Safeguard: keep additional 3 states
Emax=10.0080088085 nrkept=3101 nrkeptmult=8282 
Total energy=-2.88377082637  Egs=-1.01361704882
Kept: 3101 out of 13573, ratio=0.228
<SaSd>=0.00402514516211
<n_a^2>=1.14488756376
<n_d^2>=1.14488756376
Memory used: 60 MB  Time elapsed: 2062 s

 ***** [NRG] Iteration 19/66 (scale 0.0014088818758681283) ***** 
[1] xi(18)=0.999998092656 zeta(19)=0
Stats: nr=41 min=1 max=1185 sum3=7245939900
Safeguard: keep additional 2 states
Emax=10.0057003522 nrkept=2401 nrkeptmult=6539 
Total energy=-2.8856392837  Egs=-1.32619871561
Kept: 2401 out of 11772, ratio=0.204
<SaSd>=0.00788931722303
<n_a^2>=1.10859916948
<n_d^2>=1.10859916948
Memory used: 48 MB  Time elapsed: 2094 s

 ***** [NRG] Iteration 20/66 (scale 0.0009962299283171772) ***** 
[1] xi(19)=0.999999046327 zeta(20)=0
Stats: nr=46 min=1 max=992 sum3=3501086843
Safeguard: keep additional 2 states
Emax=10.0047896802 nrkept=2110 nrkeptmult=5760 
Total energy=-2.88666579286  Egs=-1.03039381264
Kept: 2110 out of 9155, ratio=0.23
<SaSd>=0.0137973282595
<n_a^2>=1.08956313413
<n_d^2>=1.08956313413
Memory used: 46 MB  Time elapsed: 2110 s

 ***** [NRG] Iteration 21/66 (scale 0.00070444093793406415) ***** 
[1] xi(20)=0.999999523163 zeta(21)=0
Stats: nr=41 min=1 max=836 sum3=2380538010
Safeguard: keep additional 1 states
Emax=10.0025322738 nrkept=1713 nrkeptmult=4799 
Total energy=-2.88758414053  Egs=-1.30365460658
Kept: 1713 out of 8034, ratio=0.213
<SaSd>=0.0221102773096
<n_a^2>=1.08208655526
<n_d^2>=1.08208655526
Memory used: 38 MB  Time elapsed: 2120 s

 ***** [NRG] Iteration 22/66 (scale 0.0004981149641585886) ***** 
[1] xi(21)=0.999999761581 zeta(22)=0
Stats: nr=46 min=1 max=701 sum3=1273532255
Emax=10.0050897313 nrkept=1633 nrkeptmult=4572 
Total energy=-2.8881076631  Egs=-1.05100752123
Kept: 1633 out of 6533, ratio=0.25
<SaSd>=0.0335519737828
<n_a^2>=1.07983154056
<n_d^2>=1.07983154056
Memory used: 38 MB  Time elapsed: 2126 s

 ***** [NRG] Iteration 23/66 (scale 0.00035222046896703208) ***** 
[1] xi(22)=0.999999880791 zeta(23)=0
Stats: nr=41 min=1 max=668 sum3=1139180160
Safeguard: keep additional 3 states
Emax=10.0083871374 nrkept=1490 nrkeptmult=4266 
Total energy=-2.88855763185  Egs=-1.27752016184
Kept: 1490 out of 6246, ratio=0.239
<SaSd>=0.049100216434
<n_a^2>=1.07935736552
<n_d^2>=1.07935736552
Memory used: 36 MB  Time elapsed: 2131 s

 ***** [NRG] Iteration 24/66 (scale 0.0002490574820792943) ***** 
[1] xi(23)=0.999999940395 zeta(24)=0
Stats: nr=46 min=1 max=597 sum3=823011911
Safeguard: keep additional 2 states
Emax=10.0136248835 nrkept=1441 nrkeptmult=4096 
Total energy=-2.88882557859  Egs=-1.07584293425
Kept: 1441 out of 5699, ratio=0.253
<SaSd>=0.0693433149575
<n_a^2>=1.07954196378
<n_d^2>=1.07954196378
Memory used: 36 MB  Time elapsed: 2135 s

 ***** [NRG] Iteration 25/66 (scale 0.00017611023448351604) ***** 
[1] xi(24)=0.999999970198 zeta(25)=0
Stats: nr=41 min=1 max=588 sum3=770231948
Safeguard: keep additional 2 states
Emax=10.0037063845 nrkept=1426 nrkeptmult=4096 
Total energy=-2.88904527545  Egs=-1.24749626609
Kept: 1426 out of 5516, ratio=0.259
<SaSd>=0.0943932456689
<n_a^2>=1.08002253292
<n_d^2>=1.08002253292
Memory used: 37 MB  Time elapsed: 2139 s

 ***** [NRG] Iteration 26/66 (scale 0.00012452874103964715) ***** 
[1] xi(25)=0.999999985099 zeta(26)=0
Stats: nr=44 min=1 max=577 sum3=734135192
Safeguard: keep additional 3 states
Emax=10.0048930903 nrkept=1416 nrkeptmult=4006 
Total energy=-2.8891828971  Egs=-1.10513966595
Kept: 1416 out of 5468, ratio=0.259
<SaSd>=0.123529673407
<n_a^2>=1.08065390797
<n_d^2>=1.08065390797
Memory used: 37 MB  Time elapsed: 2144 s

 ***** [NRG] Iteration 27/66 (scale 8.8055117241758019e-05) ***** 
[1] xi(26)=0.999999992549 zeta(27)=0
Stats: nr=41 min=1 max=579 sum3=735574494
Safeguard: keep additional 2 states
Emax=10.0010913519 nrkept=1268 nrkeptmult=3692 
Total energy=-2.88928975181  Egs=-1.21349801706
Kept: 1268 out of 5418, ratio=0.234
<SaSd>=0.153839883378
<n_a^2>=1.08133023382
<n_d^2>=1.08133023382
Memory used: 36 MB  Time elapsed: 2148 s

 ***** [NRG] Iteration 28/66 (scale 6.2264370519823575e-05) ***** 
[1] xi(27)=0.999999996275 zeta(28)=0
Stats: nr=44 min=1 max=511 sum3=516590132
Emax=10.0119894437 nrkept=1246 nrkeptmult=3592 
Total energy=-2.8893606776  Egs=-1.13910727178
Kept: 1246 out of 4868, ratio=0.256
<SaSd>=0.180016623216
<n_a^2>=1.08194949543
<n_d^2>=1.08194949543
Memory used: 35 MB  Time elapsed: 2151 s

 ***** [NRG] Iteration 29/66 (scale 4.402755862087901e-05) ***** 
[1] xi(28)=0.999999998137 zeta(29)=0
Stats: nr=39 min=1 max=510 sum3=496555652
Emax=10.0005282949 nrkept=1164 nrkeptmult=3420 
Total energy=-2.88941244008  Egs=-1.17568361447
Kept: 1164 out of 4778, ratio=0.244
<SaSd>=0.197905935534
<n_a^2>=1.08243073552
<n_d^2>=1.08243073552
Memory used: 37 MB  Time elapsed: 2154 s

 ***** [NRG] Iteration 30/66 (scale 3.1132185259911788e-05) ***** 
[1] xi(29)=0.999999999069 zeta(30)=0
Stats: nr=44 min=1 max=463 sum3=394155241
Safeguard: keep additional 3 states
Emax=10.0014424635 nrkept=1067 nrkeptmult=3174 
Total energy=-2.88944910649  Egs=-1.17776534704
Kept: 1067 out of 4471, ratio=0.239
<SaSd>=0.206550979833
<n_a^2>=1.08275056634
<n_d^2>=1.08275056634
Memory used: 38 MB  Time elapsed: 2156 s

 ***** [NRG] Iteration 31/66 (scale 2.2013779310439505e-05) ***** 
[1] xi(30)=0.999999999534 zeta(31)=0
Stats: nr=39 min=1 max=435 sum3=301212678
Safeguard: keep additional 2 states
Emax=10.0024624768 nrkept=1033 nrkeptmult=3089 
Total energy=-2.88947408428  Egs=-1.13464351385
Kept: 1033 out of 4104, ratio=0.252
<SaSd>=0.209021920999
<n_a^2>=1.08294927953
<n_d^2>=1.08294927953
Memory used: 39 MB  Time elapsed: 2157 s

 ***** [NRG] Iteration 32/66 (scale 1.5566092629955894e-05) ***** 
[1] xi(31)=0.999999999767 zeta(32)=0
Stats: nr=44 min=1 max=397 sum3=271217636
Safeguard: keep additional 1 states
Emax=10.0037853212 nrkept=986 nrkeptmult=2980 
Total energy=-2.88949308529  Egs=-1.22066656274
Kept: 986 out of 3980, ratio=0.248
<SaSd>=0.209341109813
<n_a^2>=1.08308778686
<n_d^2>=1.08308778686
Memory used: 39 MB  Time elapsed: 2159 s

 ***** [NRG] Iteration 33/66 (scale 1.1006889655219752e-05) ***** 
[1] xi(32)=0.999999999884 zeta(33)=0
Stats: nr=39 min=1 max=400 sum3=232586342
Safeguard: keep additional 2 states
Emax=10.0069591615 nrkept=1003 nrkeptmult=3007 
Total energy=-2.88950510042  Egs=-1.09160078664
Kept: 1003 out of 3800, ratio=0.264
<SaSd>=0.2092987613
<n_a^2>=1.0831964099
<n_d^2>=1.0831964099
Memory used: 39 MB  Time elapsed: 2160 s

 ***** [NRG] Iteration 34/66 (scale 7.7830463149779469e-06) ***** 
[1] xi(33)=0.999999999942 zeta(34)=0
Stats: nr=44 min=1 max=377 sum3=244594559
Emax=10.0272726778 nrkept=965 nrkeptmult=2894 
Total energy=-2.88951495851  Egs=-1.26660994371
Kept: 965 out of 3863, ratio=0.25
<SaSd>=0.209256771536
<n_a^2>=1.08328390606
<n_d^2>=1.08328390606
Memory used: 40 MB  Time elapsed: 2161 s

 ***** [NRG] Iteration 35/66 (scale 5.5034448276098762e-06) ***** 
[1] xi(34)=0.999999999971 zeta(35)=0
Stats: nr=38 min=1 max=394 sum3=221199622
Emax=10.005685952 nrkept=987 nrkeptmult=2927 
Total energy=-2.88952072865  Egs=-1.04846019591
Kept: 987 out of 3718, ratio=0.265
<SaSd>=0.209223423709
<n_a^2>=1.08335339494
<n_d^2>=1.08335339494
Memory used: 40 MB  Time elapsed: 2162 s

 ***** [NRG] Iteration 36/66 (scale 3.8915231574889735e-06) ***** 
[1] xi(35)=0.999999999985 zeta(36)=0
Stats: nr=44 min=1 max=378 sum3=236159009
Emax=10.0010297562 nrkept=940 nrkeptmult=2784 
Total energy=-2.88952584025  Egs=-1.31352226843
Kept: 940 out of 3797, ratio=0.248
<SaSd>=0.209197310205
<n_a^2>=1.08340780942
<n_d^2>=1.08340780942
Memory used: 40 MB  Time elapsed: 2164 s

 ***** [NRG] Iteration 37/66 (scale 2.7517224138049381e-06) ***** 
[1] xi(36)=0.999999999993 zeta(37)=0
Stats: nr=38 min=1 max=387 sum3=209211804
Safeguard: keep additional 3 states
Emax=10.0055228997 nrkept=966 nrkeptmult=2822 
Total energy=-2.88952861272  Egs=-1.00753864248
Kept: 966 out of 3618, ratio=0.267
<SaSd>=0.209177321024
<n_a^2>=1.08344946232
<n_d^2>=1.08344946232
Memory used: 40 MB  Time elapsed: 2166 s

 ***** [NRG] Iteration 38/66 (scale 1.9457615787444867e-06) ***** 
[1] xi(37)=0.999999999996 zeta(38)=0
Stats: nr=42 min=1 max=379 sum3=227735567
Safeguard: keep additional 1 states
Emax=10.0007910676 nrkept=909 nrkeptmult=2638 
Total energy=-2.88953125648  Egs=-1.35872996486
Kept: 909 out of 3713, ratio=0.245
<SaSd>=0.209162291052
<n_a^2>=1.08348078139
<n_d^2>=1.08348078139
Memory used: 41 MB  Time elapsed: 2167 s

 ***** [NRG] Iteration 39/66 (scale 1.3758612069024691e-06) ***** 
[1] xi(38)=0.999999999998 zeta(39)=0
Stats: nr=40 min=1 max=373 sum3=190408358
Emax=10.0091946311 nrkept=958 nrkeptmult=2798 
Total energy=-2.88953259241  Egs=-0.970973877689
Kept: 958 out of 3488, ratio=0.275
<SaSd>=0.20915133274
<n_a^2>=1.08350361607
<n_d^2>=1.08350361607
Memory used: 42 MB  Time elapsed: 2168 s

 ***** [NRG] Iteration 40/66 (scale 9.7288078937224336e-07) ***** 
[1] xi(39)=0.999999999999 zeta(40)=0
Stats: nr=42 min=1 max=377 sum3=222032895
Safeguard: keep additional 1 states
Emax=10.0015968876 nrkept=879 nrkeptmult=2524 
Total energy=-2.88953395411  Egs=-1.39965617083
Kept: 879 out of 3681, ratio=0.239
<SaSd>=0.209143471404
<n_a^2>=1.08351999735
<n_d^2>=1.08351999735
Memory used: 42 MB  Time elapsed: 2169 s

 ***** [NRG] Iteration 41/66 (scale 6.8793060345123453e-07) ***** 
[1] xi(40)=1 zeta(41)=0
Stats: nr=40 min=1 max=366 sum3=177686666
Safeguard: keep additional 1 states
Emax=10.0056849523 nrkept=921 nrkeptmult=2629 
Total energy=-2.88953460084  Egs=-0.940109482433
Kept: 921 out of 3374, ratio=0.273
<SaSd>=0.209138051037
<n_a^2>=1.08353129219
<n_d^2>=1.08353129219
Memory used: 42 MB  Time elapsed: 2170 s

 ***** [NRG] Iteration 42/66 (scale 4.8644039468612168e-07) ***** 
[1] xi(41)=1 zeta(42)=0
Stats: nr=42 min=1 max=372 sum3=201739614
Safeguard: keep additional 1 states
Emax=10.0015138617 nrkept=858 nrkeptmult=2432 
Total energy=-2.88953529868  Egs=-1.43458801787
Kept: 858 out of 3528, ratio=0.243
<SaSd>=0.209134378385
<n_a^2>=1.08353894519
<n_d^2>=1.08353894519
Memory used: 42 MB  Time elapsed: 2171 s

 ***** [NRG] Iteration 43/66 (scale 3.4396530172561726e-07) ***** 
[1] xi(42)=1 zeta(43)=0
Stats: nr=40 min=1 max=356 sum3=165657814
Emax=10.0002672335 nrkept=898 nrkeptmult=2506 
Total energy=-2.88953561349  Egs=-0.91524599865
Kept: 898 out of 3286, ratio=0.273
<SaSd>=0.209131977573
<n_a^2>=1.08354394795
<n_d^2>=1.08354394795
Memory used: 42 MB  Time elapsed: 2172 s

 ***** [NRG] Iteration 44/66 (scale 2.4322019734306084e-07) ***** 
[1] xi(43)=1 zeta(44)=0
Stats: nr=42 min=1 max=372 sum3=193541815
Safeguard: keep additional 2 states
Emax=10.0066707475 nrkept=840 nrkeptmult=2362 
Total energy=-2.88953596933  Egs=-1.4630183304
Kept: 840 out of 3433, ratio=0.245
<SaSd>=0.209130437564
<n_a^2>=1.08354715699
<n_d^2>=1.08354715699
Memory used: 42 MB  Time elapsed: 2173 s

 ***** [NRG] Iteration 45/66 (scale 1.7198265086280863e-07) ***** 
[1] xi(44)=1 zeta(45)=0
Stats: nr=40 min=1 max=350 sum3=157806660
Safeguard: keep additional 1 states
Emax=10.0026839403 nrkept=885 nrkeptmult=2435 
Total energy=-2.8895361234  Egs=-0.89584799854
Kept: 885 out of 3216, ratio=0.275
<SaSd>=0.209129476646
<n_a^2>=1.08354915933
<n_d^2>=1.08354915933
Memory used: 42 MB  Time elapsed: 2174 s

 ***** [NRG] Iteration 46/66 (scale 1.2161009867153042e-07) ***** 
[1] xi(45)=1 zeta(46)=0
Stats: nr=40 min=1 max=372 sum3=189780885
Safeguard: keep additional 3 states
Emax=10.0026307422 nrkept=819 nrkeptmult=2268 
Total energy=-2.88953630404  Egs=-1.48543119161
Kept: 819 out of 3381, ratio=0.242
<SaSd>=0.209128886261
<n_a^2>=1.08355038956
<n_d^2>=1.08355038956
Memory used: 43 MB  Time elapsed: 2175 s

 ***** [NRG] Iteration 47/66 (scale 8.5991325431404316e-08) ***** 
[1] xi(46)=1 zeta(47)=0
Stats: nr=40 min=1 max=343 sum3=149839314
Safeguard: keep additional 2 states
Emax=10.0080644252 nrkept=892 nrkeptmult=2436 
Total energy=-2.8895363798  Egs=-0.880961752177
Kept: 892 out of 3132, ratio=0.285
<SaSd>=0.209128531901
<n_a^2>=1.08355112797
<n_d^2>=1.08355112797
Memory used: 42 MB  Time elapsed: 2175 s

 ***** [NRG] Iteration 48/66 (scale 6.080504933576521e-08) ***** 
[1] xi(47)=1 zeta(48)=0
Stats: nr=40 min=1 max=374 sum3=192351971
Safeguard: keep additional 1 states
Emax=10.015772795 nrkept=810 nrkeptmult=2236 
Total energy=-2.88953647117  Egs=-1.50282313501
Kept: 810 out of 3401, ratio=0.238
<SaSd>=0.209128319737
<n_a^2>=1.08355157008
<n_d^2>=1.08355157008
Memory used: 43 MB  Time elapsed: 2177 s

 ***** [NRG] Iteration 49/66 (scale 4.2995662715702158e-08) ***** 
[1] xi(48)=1 zeta(49)=0
Stats: nr=40 min=1 max=338 sum3=144960138
Emax=10.0004438783 nrkept=893 nrkeptmult=2437 
Total energy=-2.88953650856  Egs=-0.869571750293
Kept: 893 out of 3096, ratio=0.288
<SaSd>=0.209128195651
<n_a^2>=1.08355182864
<n_d^2>=1.08355182864
Memory used: 42 MB  Time elapsed: 2178 s

 ***** [NRG] Iteration 50/66 (scale 3.0402524667882605e-08) ***** 
[1] xi(49)=1 zeta(50)=0
Stats: nr=40 min=1 max=375 sum3=193041116
Safeguard: keep additional 3 states
Emax=10.0287503836 nrkept=802 nrkeptmult=2200 
Total energy=-2.88953655466  Egs=-1.51628877263
Kept: 802 out of 3404, ratio=0.236
<SaSd>=0.209128122452
<n_a^2>=1.08355198118
<n_d^2>=1.08355198118
Memory used: 43 MB  Time elapsed: 2179 s

 ***** [NRG] Iteration 51/66 (scale 2.1497831357851079e-08) ***** 
[1] xi(50)=1 zeta(51)=0
Stats: nr=40 min=1 max=334 sum3=141407572
Emax=10.0426110071 nrkept=901 nrkeptmult=2449 
Total energy=-2.88953657317  Egs=-0.860794126379
Kept: 901 out of 3064, ratio=0.294
<SaSd>=0.209128080377
<n_a^2>=1.08355206885
<n_d^2>=1.08355206885
Memory used: 42 MB  Time elapsed: 2180 s

 ***** [NRG] Iteration 52/66 (scale 1.5201262333941303e-08) ***** 
[1] xi(51)=1 zeta(52)=0
Stats: nr=40 min=1 max=379 sum3=197528124
Safeguard: keep additional 1 states
Emax=10.0546916686 nrkept=796 nrkeptmult=2166 
Total energy=-2.88953659638  Egs=-1.52679383616
Kept: 796 out of 3432, ratio=0.232
<SaSd>=0.209128055657
<n_a^2>=1.08355212036
<n_d^2>=1.08355212036
Memory used: 43 MB  Time elapsed: 2182 s

 ***** [NRG] Iteration 53/66 (scale 1.0748915678925539e-08) ***** 
[1] xi(52)=1 zeta(53)=0
Stats: nr=40 min=1 max=336 sum3=141913786
Emax=10.0247452769 nrkept=901 nrkeptmult=2449 
Total energy=-2.88953660555  Egs=-0.853936429794
Kept: 901 out of 3040, ratio=0.296
<SaSd>=0.209128041615
<n_a^2>=1.08355214962
<n_d^2>=1.08355214962
Memory used: 43 MB  Time elapsed: 2182 s

 ***** [NRG] Iteration 54/66 (scale 7.6006311669706513e-09) ***** 
[1] xi(53)=1 zeta(54)=0
Stats: nr=40 min=1 max=379 sum3=197528124
Safeguard: keep additional 1 states
Emax=10.0144848894 nrkept=796 nrkeptmult=2166 
Total energy=-2.88953661722  Egs=-1.53510179968
Kept: 796 out of 3432, ratio=0.232
<SaSd>=0.209128033344
<n_a^2>=1.08355216686
<n_d^2>=1.08355216686
Memory used: 44 MB  Time elapsed: 2183 s

 ***** [NRG] Iteration 55/66 (scale 5.3744578394627697e-09) ***** 
[1] xi(54)=1 zeta(55)=0
Stats: nr=40 min=1 max=336 sum3=141913786
Emax=10.0080431278 nrkept=901 nrkeptmult=2449 
Total energy=-2.88953662178  Egs=-0.848486405316
Kept: 901 out of 3040, ratio=0.296
<SaSd>=0.209128028651
<n_a^2>=1.08355217664
<n_d^2>=1.08355217664
Memory used: 43 MB  Time elapsed: 2184 s

 ***** [NRG] Iteration 56/66 (scale 3.8003155834853256e-09) ***** 
[1] xi(55)=1 zeta(56)=0
Stats: nr=40 min=1 max=379 sum3=197528124
Safeguard: keep additional 1 states
Emax=10.0251058602 nrkept=804 nrkeptmult=2174 
Total energy=-2.88953662764  Egs=-1.54178206883
Kept: 804 out of 3432, ratio=0.234
<SaSd>=0.209128025874
<n_a^2>=1.08355218242
<n_d^2>=1.08355218242
Memory used: 44 MB  Time elapsed: 2185 s

 ***** [NRG] Iteration 57/66 (scale 2.6872289197313849e-09) ***** 
[1] xi(56)=1 zeta(57)=0
Stats: nr=40 min=1 max=336 sum3=144834322
Safeguard: keep additional 1 states
Emax=10.0012125242 nrkept=903 nrkeptmult=2453 
Total energy=-2.88953662991  Egs=-0.844075931355
Kept: 903 out of 3064, ratio=0.295
<SaSd>=0.209128024298
<n_a^2>=1.08355218571
<n_d^2>=1.08355218571
Memory used: 43 MB  Time elapsed: 2186 s

 ***** [NRG] Iteration 58/66 (scale 1.9001577917426628e-09) ***** 
[1] xi(57)=1 zeta(58)=0
Stats: nr=40 min=1 max=381 sum3=199615376
Safeguard: keep additional 1 states
Emax=10.0120461038 nrkept=804 nrkeptmult=2174 
Total energy=-2.88953663285  Egs=-1.54724725867
Kept: 804 out of 3440, ratio=0.234
<SaSd>=0.209128023357
<n_a^2>=1.08355218767
<n_d^2>=1.08355218767
Memory used: 44 MB  Time elapsed: 2187 s

 ***** [NRG] Iteration 59/66 (scale 1.3436144598656924e-09) ***** 
[1] xi(58)=1 zeta(59)=0
Stats: nr=40 min=1 max=336 sum3=144834322
Safeguard: keep additional 1 states
Emax=10.0003020944 nrkept=919 nrkeptmult=2485 
Total energy=-2.88953663398  Egs=-0.840443339616
Kept: 919 out of 3064, ratio=0.3
<SaSd>=0.209128022819
<n_a^2>=1.08355218879
<n_d^2>=1.08355218879
Memory used: 43 MB  Time elapsed: 2188 s

 ***** [NRG] Iteration 60/66 (scale 9.5007889587133141e-10) ***** 
[1] xi(59)=1 zeta(60)=0
Stats: nr=40 min=1 max=391 sum3=212381138
Safeguard: keep additional 1 states
Emax=10.0005894768 nrkept=804 nrkeptmult=2174 
Total energy=-2.88953663545  Egs=-1.55179326601
Kept: 804 out of 3500, ratio=0.23
<SaSd>=0.209128022497
<n_a^2>=1.08355218946
<n_d^2>=1.08355218946
Memory used: 44 MB  Time elapsed: 2189 s

 ***** [NRG] Iteration 61/66 (scale 6.7180722993284622e-10) ***** 
[1] xi(60)=1 zeta(61)=0
Stats: nr=40 min=1 max=336 sum3=144834322
Emax=10.0075041829 nrkept=923 nrkeptmult=2491 
Total energy=-2.88953663602  Egs=-0.837402463842
Kept: 923 out of 3064, ratio=0.301
<SaSd>=0.209128022311
<n_a^2>=1.08355218985
<n_d^2>=1.08355218985
Memory used: 44 MB  Time elapsed: 2190 s

 ***** [NRG] Iteration 62/66 (scale 4.750394479356657e-10) ***** 
[1] xi(61)=1 zeta(62)=0
Stats: nr=40 min=1 max=393 sum3=215138583
Emax=10.0350030632 nrkept=805 nrkeptmult=2176 
Total energy=-2.88953663676  Egs=-1.555632577
Kept: 805 out of 3513, ratio=0.229
<SaSd>=0.209128022198
<n_a^2>=1.08355219008
<n_d^2>=1.08355219008
Memory used: 45 MB  Time elapsed: 2191 s

 ***** [NRG] Iteration 63/66 (scale 3.3590361496642311e-10) ***** 
[1] xi(62)=1 zeta(63)=0
Stats: nr=40 min=1 max=337 sum3=145863974
Safeguard: keep additional 2 states
Emax=10.0153305685 nrkept=932 nrkeptmult=2512 
Total energy=-2.88953663704  Egs=-0.834819714365
Kept: 932 out of 3068, ratio=0.304
<SaSd>=0.209128022132
<n_a^2>=1.08355219022
<n_d^2>=1.08355219022
Memory used: 44 MB  Time elapsed: 2192 s

 ***** [NRG] Iteration 64/66 (scale 2.3751972396783285e-10) ***** 
[1] xi(63)=1 zeta(64)=0
Stats: nr=40 min=1 max=398 sum3=222658263
Emax=10.0276241727 nrkept=805 nrkeptmult=2176 
Total energy=-2.88953663741  Egs=-1.55891914043
Kept: 805 out of 3549, ratio=0.227
<SaSd>=0.209128022092
<n_a^2>=1.0835521903
<n_d^2>=1.0835521903
Memory used: 45 MB  Time elapsed: 2193 s

 ***** [NRG] Iteration 65/66 (scale 1.6795180748321155e-10) ***** 
[1] xi(64)=1 zeta(65)=0
Stats: nr=40 min=1 max=337 sum3=145863974
Safeguard: keep additional 2 states
Emax=10.0000291759 nrkept=932 nrkeptmult=2512 
Total energy=-2.88953663755  Egs=-0.832597945123
Kept: 932 out of 3068, ratio=0.304
<SaSd>=0.209128022068
<n_a^2>=1.08355219035
<n_d^2>=1.08355219035
Memory used: 44 MB  Time elapsed: 2194 s

 ***** [NRG] Iteration 66/66 (scale 1.1875986198391643e-10) ***** 
[1] xi(65)=1 zeta(66)=0
Stats: nr=40 min=1 max=398 sum3=222658263
Emax=10.0209504382 nrkept=805 nrkeptmult=2176 
Total energy=-2.88953663773  Egs=-1.56176599891
Kept: 805 out of 3549, ratio=0.227
<SaSd>=0.209128022053
<n_a^2>=1.08355219038
<n_d^2>=1.08355219038
Memory used: 45 MB  Time elapsed: 2195 s

** Iteration completed.


Total energy:             -2.889536637731453
TKW=3.32128630041e-07
Grand canonical Z=              19.35030178122749
Zft (last shell)=               19.31417805992929

Memory usage report
===================
  after diag: 527752 kB
after recalc: 278948 kB
 after split: 843300 kB
  after trim: 169376 kB
 after trunc: 528444 kB
      diag_h: 527752 kB

Peak usage: 843300 kB

Timing report
=============
         All: 2196 s
        diag: 2088 s
    recalc s: 30 s
       Other: 77 s
