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 Jun 13 2013 at 12:32:05

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=5000
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=
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: 	SIAM	 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=	
V7
>>  Number of channels, impurities, subspaces: 
channels=1 impurities=1 subspaces=6
Reading <||||> (e)
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=5000 keepenergy=10 Nmax=66 channels=1 dots=1 betabar=1

Number of invariant subspaces: 6
(-2 1) 1 states
0.0343468023764 
(-1 2) 2 states
0.016044682462 0.0485274444966 
(0 1) 3 states
0 0.0343468023764 0.0645721269586 
(0 3) 1 states
0.0302253245821 
(1 2) 2 states
0.016044682462 0.0485274444966 
(2 1) 1 states
0.0343468023764 
Number of states (multiplicity taken into account): 16

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

Computing the following spectra:

Before NRG iteration (N=-1)

 ***** [NRG] Iteration 1/66 (scale 0.85783160370214839) ***** 
[1] xi(0)=0.684778584642 zeta(1)=0
Stats: nr=10 min=1 max=8 sum3=1055
Emax=2.74644582252 nrkept=35 nrkeptmult=64 
Total energy=-1.1754940122  Egs=-1.32756352241
Kept: 35 out of 35, ratio=1
Memory used: 3 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 2/66 (scale 0.6065785440939202) ***** 
[1] xi(1)=0.833755393818 zeta(2)=0
Stats: nr=15 min=1 max=20 sum3=30066
Emax=5.1969509707 nrkept=126 nrkeptmult=256 
Total energy=-1.57367947677  Egs=-0.656445020087
Kept: 126 out of 126, ratio=1
Memory used: 3 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 3/66 (scale 0.4289158018510742) ***** 
[1] xi(2)=0.947046165312 zeta(3)=0
Stats: nr=21 min=1 max=75 sum3=1007202
Emax=10.4020640579 nrkept=460 nrkeptmult=1022 
Total energy=-2.23079076461  Egs=-1.53202862895
Kept: 460 out of 462, ratio=0.996
Memory used: 3 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 4/66 (scale 0.3032892720469601) ***** 
[1] xi(3)=0.972572268687 zeta(4)=0
Stats: nr=28 min=1 max=209 sum3=36715794
Emax=10.7289363242 nrkept=1259 nrkeptmult=3043 
Total energy=-2.47660142797  Egs=-0.810482552498
Kept: 1259 out of 1710, ratio=0.736
Memory used: 8 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 5/66 (scale 0.2144579009255371) ***** 
[1] xi(4)=0.980132362648 zeta(5)=0
Stats: nr=36 min=1 max=561 sum3=560127451
Safeguard: keep additional 7 states
Emax=10.4275174231 nrkept=1730 nrkeptmult=4298 
Total energy=-2.8026460797  Egs=-1.52032007364
Kept: 1730 out of 4729, ratio=0.366
Memory used: 13 MB  Time elapsed: 1 s

 ***** [NRG] Iteration 6/66 (scale 0.15164463602348005) ***** 
[1] xi(5)=0.988164304343 zeta(6)=0
Stats: nr=42 min=1 max=665 sum3=1351171682
Safeguard: keep additional 1 states
Emax=10.7077697194 nrkept=2122 nrkeptmult=5284 
Total energy=-2.93182843015  Egs=-0.851875502132
Kept: 2122 out of 6518, ratio=0.326
Memory used: 16 MB  Time elapsed: 5 s

 ***** [NRG] Iteration 7/66 (scale 0.10722895046276855) ***** 
[1] xi(6)=0.993732382824 zeta(7)=0
Stats: nr=44 min=1 max=910 sum3=2517194209
Safeguard: keep additional 2 states
Emax=10.0257468593 nrkept=1817 nrkeptmult=4474 
Total energy=-3.0937077245  Egs=-1.50966034496
Kept: 1817 out of 8005, ratio=0.227
Memory used: 16 MB  Time elapsed: 12 s

 ***** [NRG] Iteration 8/66 (scale 0.075822318011740025) ***** 
[1] xi(7)=0.996801670793 zeta(8)=0
Stats: nr=42 min=1 max=705 sum3=1607566036
Safeguard: keep additional 2 states
Emax=10.0224075789 nrkept=2091 nrkeptmult=5209 
Total energy=-3.16046806583  Egs=-0.880484045854
Kept: 2091 out of 6832, ratio=0.306
Memory used: 16 MB  Time elapsed: 16 s

 ***** [NRG] Iteration 9/66 (scale 0.053614475231384275) ***** 
[1] xi(8)=0.998386814476 zeta(9)=0
Stats: nr=44 min=1 max=893 sum3=2392945009
Safeguard: keep additional 1 states
Emax=10.0270407137 nrkept=1688 nrkeptmult=4186 
Total energy=-3.24031999528  Egs=-1.48937258284
Kept: 1688 out of 7885, ratio=0.214
Memory used: 15 MB  Time elapsed: 23 s

 ***** [NRG] Iteration 10/66 (scale 0.037911159005870013) ***** 
[1] xi(9)=0.999190082691 zeta(10)=0
Stats: nr=42 min=1 max=663 sum3=1318309146
Emax=10.0277804978 nrkept=1873 nrkeptmult=4643 
Total energy=-3.2745323555  Egs=-0.90243509067
Kept: 1873 out of 6372, ratio=0.294
Memory used: 15 MB  Time elapsed: 26 s

 ***** [NRG] Iteration 11/66 (scale 0.026807237615692137) ***** 
[1] xi(10)=0.999594228576 zeta(11)=0
Stats: nr=42 min=1 max=815 sum3=1780810507
Emax=10.0125465396 nrkept=1651 nrkeptmult=4096 
Total energy=-3.31382091319  Egs=-1.46559515972
Kept: 1651 out of 7057, ratio=0.234
Memory used: 15 MB  Time elapsed: 32 s

 ***** [NRG] Iteration 12/66 (scale 0.018955579502935006) ***** 
[1] xi(11)=0.999796913201 zeta(12)=0
Stats: nr=42 min=1 max=646 sum3=1222524928
Safeguard: keep additional 1 states
Emax=10.0086991096 nrkept=1792 nrkeptmult=4448 
Total energy=-3.33128469984  Egs=-0.921300593423
Kept: 1792 out of 6232, ratio=0.288
Memory used: 16 MB  Time elapsed: 35 s

 ***** [NRG] Iteration 13/66 (scale 0.013403618807846069) ***** 
[1] xi(12)=0.999898406582 zeta(13)=0
Stats: nr=42 min=1 max=778 sum3=1552502967
Safeguard: keep additional 1 states
Emax=10.0032599425 nrkept=1560 nrkeptmult=3846 
Total energy=-3.35062241508  Egs=-1.44272345564
Kept: 1560 out of 6753, ratio=0.231
Memory used: 15 MB  Time elapsed: 40 s

 ***** [NRG] Iteration 14/66 (scale 0.0094777897514675032) ***** 
[1] xi(13)=0.999949190818 zeta(14)=0
Stats: nr=42 min=1 max=611 sum3=1031149072
Safeguard: keep additional 1 states
Emax=10.0093732628 nrkept=1706 nrkeptmult=4248 
Total energy=-3.35950203219  Egs=-0.936886904914
Kept: 1706 out of 5878, ratio=0.29
Memory used: 16 MB  Time elapsed: 43 s

 ***** [NRG] Iteration 15/66 (scale 0.0067018094039230343) ***** 
[1] xi(14)=0.999974592294 zeta(15)=0
Stats: nr=42 min=1 max=740 sum3=1338877433
Emax=10.0092892836 nrkept=1471 nrkeptmult=3644 
Total energy=-3.36903667258  Egs=-1.42269644173
Kept: 1471 out of 6425, ratio=0.229
Memory used: 15 MB  Time elapsed: 48 s

 ***** [NRG] Iteration 16/66 (scale 0.0047388948757337516) ***** 
[1] xi(15)=0.999987295369 zeta(16)=0
Stats: nr=40 min=1 max=578 sum3=883736808
Emax=10.0088569277 nrkept=1537 nrkeptmult=3815 
Total energy=-3.3735379062  Egs=-0.949848803371
Kept: 1537 out of 5538, ratio=0.278
Memory used: 15 MB  Time elapsed: 50 s

 ***** [NRG] Iteration 17/66 (scale 0.0033509047019615172) ***** 
[1] xi(16)=0.99999364749 zeta(17)=0
Stats: nr=40 min=1 max=677 sum3=1005934597
Safeguard: keep additional 1 states
Emax=10.0006665755 nrkept=1279 nrkeptmult=3166 
Total energy=-3.37824499208  Egs=-1.40472090154
Kept: 1279 out of 5797, ratio=0.221
Memory used: 14 MB  Time elapsed: 54 s

 ***** [NRG] Iteration 18/66 (scale 0.0023694474378668758) ***** 
[1] xi(17)=0.999996823696 zeta(18)=0
Stats: nr=40 min=1 max=510 sum3=596024898
Safeguard: keep additional 1 states
Emax=10.0097294568 nrkept=1296 nrkeptmult=3192 
Total energy=-3.3805257081  Egs=-0.962551851875
Kept: 1296 out of 4818, ratio=0.269
Memory used: 14 MB  Time elapsed: 56 s

 ***** [NRG] Iteration 19/66 (scale 0.0016754523509807586) ***** 
[1] xi(18)=0.999998411836 zeta(19)=0
Stats: nr=34 min=1 max=582 sum3=633851296
Safeguard: keep additional 2 states
Emax=10.0016110015 nrkept=1111 nrkeptmult=2782 
Total energy=-3.38284847092  Egs=-1.38634967675
Kept: 1111 out of 4882, ratio=0.228
Memory used: 15 MB  Time elapsed: 58 s

 ***** [NRG] Iteration 20/66 (scale 0.0011847237189334379) ***** 
[1] xi(19)=0.999999205915 zeta(20)=0
Stats: nr=40 min=1 max=446 sum3=402617748
Safeguard: keep additional 3 states
Emax=10.0049630552 nrkept=1123 nrkeptmult=2821 
Total energy=-3.38400646382  Egs=-0.977437084183
Kept: 1123 out of 4200, ratio=0.267
Memory used: 14 MB  Time elapsed: 59 s

 ***** [NRG] Iteration 21/66 (scale 0.00083772617549037929) ***** 
[1] xi(20)=0.999999602957 zeta(21)=0
Stats: nr=34 min=1 max=506 sum3=418518722
Safeguard: keep additional 2 states
Emax=10.0022316431 nrkept=929 nrkeptmult=2362 
Total energy=-3.38515022969  Egs=-1.36532186792
Kept: 929 out of 4244, ratio=0.219
Memory used: 14 MB  Time elapsed: 60 s

 ***** [NRG] Iteration 22/66 (scale 0.00059236185946671895) ***** 
[1] xi(21)=0.999999801478 zeta(22)=0
Stats: nr=40 min=1 max=379 sum3=236689564
Safeguard: keep additional 3 states
Emax=10.0134958489 nrkept=946 nrkeptmult=2404 
Total energy=-3.38574022232  Egs=-0.996000380387
Kept: 946 out of 3514, ratio=0.269
Memory used: 14 MB  Time elapsed: 61 s

 ***** [NRG] Iteration 23/66 (scale 0.00041886308774518965) ***** 
[1] xi(22)=0.999999900739 zeta(23)=0
Stats: nr=34 min=1 max=430 sum3=255662705
Safeguard: keep additional 2 states
Emax=10.0000233366 nrkept=838 nrkeptmult=2148 
Total energy=-3.38630156335  Egs=-1.34015395472
Kept: 838 out of 3581, ratio=0.234
Memory used: 15 MB  Time elapsed: 62 s

 ***** [NRG] Iteration 24/66 (scale 0.00029618092973335947) ***** 
[1] xi(23)=0.99999995037 zeta(24)=0
Stats: nr=40 min=1 max=346 sum3=175800408
Safeguard: keep additional 2 states
Emax=10.0025547041 nrkept=878 nrkeptmult=2216 
Total energy=-3.38660343872  Egs=-1.01922623721
Kept: 878 out of 3174, ratio=0.277
Memory used: 14 MB  Time elapsed: 63 s

 ***** [NRG] Iteration 25/66 (scale 0.00020943154387259482) ***** 
[1] xi(24)=0.999999975185 zeta(25)=0
Stats: nr=34 min=1 max=400 sum3=202955873
Safeguard: keep additional 3 states
Emax=10.0039551996 nrkept=819 nrkeptmult=2094 
Total energy=-3.38687773216  Egs=-1.30970450974
Kept: 819 out of 3317, ratio=0.247
Memory used: 15 MB  Time elapsed: 64 s

 ***** [NRG] Iteration 26/66 (scale 0.00014809046486667974) ***** 
[1] xi(25)=0.999999987592 zeta(26)=0
Stats: nr=40 min=1 max=335 sum3=162565712
Safeguard: keep additional 1 states
Emax=10.0016519236 nrkept=848 nrkeptmult=2120 
Total energy=-3.38703296117  Egs=-1.04820392773
Kept: 848 out of 3098, ratio=0.274
Memory used: 14 MB  Time elapsed: 64 s

 ***** [NRG] Iteration 27/66 (scale 0.00010471577193629741) ***** 
[1] xi(26)=0.999999993796 zeta(27)=0
Stats: nr=34 min=1 max=388 sum3=185659757
Safeguard: keep additional 2 states
Emax=10.0065607613 nrkept=812 nrkeptmult=2078 
Total energy=-3.38716624028  Egs=-1.27277021836
Kept: 812 out of 3197, ratio=0.254
Memory used: 15 MB  Time elapsed: 65 s

 ***** [NRG] Iteration 28/66 (scale 7.4045232433339868e-05) ***** 
[1] xi(27)=0.999999996898 zeta(28)=0
Stats: nr=40 min=1 max=332 sum3=158201808
Emax=10.0068880987 nrkept=836 nrkeptmult=2084 
Total energy=-3.38724653425  Egs=-1.08439083156
Kept: 836 out of 3072, ratio=0.272
Memory used: 15 MB  Time elapsed: 65 s

 ***** [NRG] Iteration 29/66 (scale 5.2357885968148706e-05) ***** 
[1] xi(28)=0.999999998449 zeta(29)=0
Stats: nr=34 min=1 max=386 sum3=179122220
Safeguard: keep additional 4 states
Emax=10.0045124684 nrkept=809 nrkeptmult=2072 
Total energy=-3.38731083059  Egs=-1.22801623759
Kept: 809 out of 3152, ratio=0.257
Memory used: 15 MB  Time elapsed: 66 s

 ***** [NRG] Iteration 30/66 (scale 3.7022616216669934e-05) ***** 
[1] xi(29)=0.999999999225 zeta(30)=0
Stats: nr=40 min=1 max=331 sum3=156000882
Emax=10.0004203559 nrkept=815 nrkeptmult=2025 
Total energy=-3.38735265151  Egs=-1.12960479875
Kept: 815 out of 3060, ratio=0.266
Memory used: 15 MB  Time elapsed: 67 s

 ***** [NRG] Iteration 31/66 (scale 2.6178942984074353e-05) ***** 
[1] xi(30)=0.999999999612 zeta(31)=0
Stats: nr=34 min=1 max=377 sum3=165514164
Emax=10.0007527715 nrkept=801 nrkeptmult=2056 
Total energy=-3.38738339251  Egs=-1.17426417758
Kept: 801 out of 3072, ratio=0.261
Memory used: 15 MB  Time elapsed: 67 s

 ***** [NRG] Iteration 32/66 (scale 1.8511308108334967e-05) ***** 
[1] xi(31)=0.999999999806 zeta(32)=0
Stats: nr=40 min=1 max=329 sum3=151589632
Safeguard: keep additional 4 states
Emax=10.0021643093 nrkept=788 nrkeptmult=1964 
Total energy=-3.38740534118  Egs=-1.18568995931
Kept: 788 out of 3028, ratio=0.26
Memory used: 15 MB  Time elapsed: 68 s

 ***** [NRG] Iteration 33/66 (scale 1.3089471492037176e-05) ***** 
[1] xi(32)=0.999999999903 zeta(33)=0
Stats: nr=34 min=1 max=362 sum3=147835451
Emax=10.013764171 nrkept=794 nrkeptmult=2020 
Total energy=-3.38741988779  Egs=-1.11132133807
Kept: 794 out of 2969, ratio=0.267
Memory used: 15 MB  Time elapsed: 68 s

 ***** [NRG] Iteration 34/66 (scale 9.2556540541674836e-06) ***** 
[1] xi(33)=0.999999999952 zeta(34)=0
Stats: nr=38 min=1 max=327 sum3=149601810
Safeguard: keep additional 2 states
Emax=10.0136751638 nrkept=767 nrkeptmult=1931 
Total energy=-3.38743148985  Egs=-1.25351056221
Kept: 767 out of 3000, ratio=0.256
Memory used: 15 MB  Time elapsed: 69 s

 ***** [NRG] Iteration 35/66 (scale 6.5447357460185882e-06) ***** 
[1] xi(34)=0.999999999976 zeta(35)=0
Stats: nr=34 min=1 max=351 sum3=136794230
Safeguard: keep additional 1 states
Emax=10.0022748295 nrkept=790 nrkeptmult=1996 
Total energy=-3.38743830652  Egs=-1.04155048605
Kept: 790 out of 2894, ratio=0.273
Memory used: 15 MB  Time elapsed: 69 s

 ***** [NRG] Iteration 36/66 (scale 4.6278270270837418e-06) ***** 
[1] xi(35)=0.999999999988 zeta(36)=0
Stats: nr=38 min=1 max=325 sum3=147373828
Safeguard: keep additional 2 states
Emax=10.0136694738 nrkept=753 nrkeptmult=1905 
Total energy=-3.38744446562  Egs=-1.3308839763
Kept: 753 out of 2980, ratio=0.253
Memory used: 15 MB  Time elapsed: 70 s

 ***** [NRG] Iteration 37/66 (scale 3.2723678730092941e-06) ***** 
[1] xi(36)=0.999999999994 zeta(37)=0
Stats: nr=34 min=1 max=343 sum3=128726395
Safeguard: keep additional 2 states
Emax=10.0020246087 nrkept=753 nrkeptmult=1888 
Total energy=-3.38744764458  Egs=-0.971454912115
Kept: 753 out of 2845, ratio=0.265
Memory used: 15 MB  Time elapsed: 70 s

 ***** [NRG] Iteration 38/66 (scale 2.3139135135418709e-06) ***** 
[1] xi(37)=0.999999999997 zeta(38)=0
Stats: nr=38 min=1 max=314 sum3=132096960
Safeguard: keep additional 4 states
Emax=10.0112374717 nrkept=710 nrkeptmult=1764 
Total energy=-3.38745090785  Egs=-1.41028111384
Kept: 710 out of 2844, ratio=0.25
Memory used: 16 MB  Time elapsed: 71 s

 ***** [NRG] Iteration 39/66 (scale 1.6361839365046471e-06) ***** 
[1] xi(38)=0.999999999998 zeta(39)=0
Stats: nr=33 min=1 max=329 sum3=111442969
Safeguard: keep additional 1 states
Emax=10.006038453 nrkept=719 nrkeptmult=1776 
Total energy=-3.38745239755  Egs=-0.910472371852
Kept: 719 out of 2677, ratio=0.269
Memory used: 15 MB  Time elapsed: 71 s

 ***** [NRG] Iteration 40/66 (scale 1.1569567567709354e-06) ***** 
[1] xi(39)=0.999999999999 zeta(40)=0
Stats: nr=36 min=1 max=300 sum3=117850078
Emax=10.0071873721 nrkept=647 nrkeptmult=1581 
Total energy=-3.38745410992  Egs=-1.48006298481
Kept: 647 out of 2710, ratio=0.239
Memory used: 15 MB  Time elapsed: 72 s

 ***** [NRG] Iteration 41/66 (scale 8.1809196825232353e-07) ***** 
[1] xi(40)=1 zeta(41)=0
Stats: nr=33 min=1 max=308 sum3=87862813
Safeguard: keep additional 3 states
Emax=10.0014555239 nrkept=672 nrkeptmult=1646 
Total energy=-3.38745481796  Egs=-0.865476917162
Kept: 672 out of 2437, ratio=0.276
Memory used: 16 MB  Time elapsed: 72 s

 ***** [NRG] Iteration 42/66 (scale 5.7847837838546772e-07) ***** 
[1] xi(41)=1 zeta(42)=0
Stats: nr=36 min=1 max=279 sum3=97056286
Safeguard: keep additional 2 states
Emax=10.0033154177 nrkept=590 nrkeptmult=1412 
Total energy=-3.38745570391  Egs=-1.53151500879
Kept: 590 out of 2530, ratio=0.233
Memory used: 15 MB  Time elapsed: 72 s

 ***** [NRG] Iteration 43/66 (scale 4.0904598412616176e-07) ***** 
[1] xi(42)=1 zeta(43)=0
Stats: nr=33 min=1 max=285 sum3=67765464
Safeguard: keep additional 1 states
Emax=10.0522631614 nrkept=603 nrkeptmult=1444 
Total energy=-3.38745604619  Egs=-0.83677795136
Kept: 603 out of 2214, ratio=0.272
Memory used: 16 MB  Time elapsed: 73 s

 ***** [NRG] Iteration 44/66 (scale 2.8923918919273386e-07) ***** 
[1] xi(43)=1 zeta(44)=0
Stats: nr=36 min=1 max=256 sum3=72549386
Emax=10.0126357535 nrkept=535 nrkeptmult=1261 
Total energy=-3.38745649858  Egs=-1.56409010678
Kept: 535 out of 2264, ratio=0.236
Memory used: 17 MB  Time elapsed: 73 s

 ***** [NRG] Iteration 45/66 (scale 2.0452299206308088e-07) ***** 
[1] xi(44)=1 zeta(45)=0
Stats: nr=33 min=1 max=262 sum3=51852835
Safeguard: keep additional 1 states
Emax=10.0929163522 nrkept=569 nrkeptmult=1328 
Total energy=-3.38745666635  Egs=-0.820276333954
Kept: 569 out of 2005, ratio=0.284
Memory used: 17 MB  Time elapsed: 73 s

 ***** [NRG] Iteration 46/66 (scale 1.4461959459636693e-07) ***** 
[1] xi(45)=1 zeta(46)=0
Stats: nr=34 min=1 max=245 sum3=62083694
Safeguard: keep additional 1 states
Emax=10.0306274734 nrkept=505 nrkeptmult=1165 
Total energy=-3.38745689523  Egs=-1.58265675127
Kept: 505 out of 2132, ratio=0.237
Memory used: 17 MB  Time elapsed: 73 s

 ***** [NRG] Iteration 47/66 (scale 1.0226149603154044e-07) ***** 
[1] xi(46)=1 zeta(47)=0
Stats: nr=33 min=1 max=249 sum3=44336516
Emax=10.4532597535 nrkept=567 nrkeptmult=1322 
Total energy=-3.3874569782  Egs=-0.811374916959
Kept: 567 out of 1886, ratio=0.301
Memory used: 17 MB  Time elapsed: 74 s

 ***** [NRG] Iteration 48/66 (scale 7.2309797298183465e-08) ***** 
[1] xi(47)=1 zeta(48)=0
Stats: nr=34 min=1 max=244 sum3=61218744
Safeguard: keep additional 1 states
Emax=10.2022600327 nrkept=499 nrkeptmult=1149 
Total energy=-3.38745709337  Egs=-1.59260269777
Kept: 499 out of 2124, ratio=0.235
Memory used: 17 MB  Time elapsed: 74 s

 ***** [NRG] Iteration 49/66 (scale 5.113074801577022e-08) ***** 
[1] xi(48)=1 zeta(49)=0
Stats: nr=33 min=1 max=245 sum3=42367736
Emax=10.6703859394 nrkept=567 nrkeptmult=1322 
Total energy=-3.38745713461  Egs=-0.806743393308
Kept: 567 out of 1862, ratio=0.305
Memory used: 17 MB  Time elapsed: 74 s

 ***** [NRG] Iteration 50/66 (scale 3.6154898649091733e-08) ***** 
[1] xi(49)=1 zeta(50)=0
Stats: nr=34 min=1 max=244 sum3=61218744
Safeguard: keep additional 1 states
Emax=10.4026030692 nrkept=499 nrkeptmult=1149 
Total energy=-3.38745719238  Egs=-1.59775459752
Kept: 499 out of 2124, ratio=0.235
Memory used: 17 MB  Time elapsed: 74 s

 ***** [NRG] Iteration 51/66 (scale 2.556537400788511e-08) ***** 
[1] xi(50)=1 zeta(51)=0
Stats: nr=33 min=1 max=245 sum3=42367736
Emax=10.7546855896 nrkept=567 nrkeptmult=1322 
Total energy=-3.38745721295  Egs=-0.804379778358
Kept: 567 out of 1862, ratio=0.305
Memory used: 17 MB  Time elapsed: 74 s

 ***** [NRG] Iteration 52/66 (scale 1.8077449324545866e-08) ***** 
[1] xi(51)=1 zeta(52)=0
Stats: nr=34 min=1 max=244 sum3=61218744
Emax=10.5014064577 nrkept=498 nrkeptmult=1142 
Total energy=-3.38745724188  Egs=-1.6003770512
Kept: 498 out of 2124, ratio=0.234
Memory used: 17 MB  Time elapsed: 75 s

 ***** [NRG] Iteration 53/66 (scale 1.2782687003942555e-08) ***** 
[1] xi(52)=1 zeta(53)=0
Stats: nr=33 min=1 max=246 sum3=42402345
Emax=10.7981534218 nrkept=567 nrkeptmult=1322 
Total energy=-3.38745725214  Egs=-0.803185645804
Kept: 567 out of 1857, ratio=0.305
Memory used: 17 MB  Time elapsed: 75 s

 ***** [NRG] Iteration 54/66 (scale 9.0387246622729332e-09) ***** 
[1] xi(53)=1 zeta(54)=0
Stats: nr=34 min=1 max=244 sum3=61218744
Emax=10.5136694423 nrkept=498 nrkeptmult=1142 
Total energy=-3.38745726662  Egs=-1.60170013293
Kept: 498 out of 2124, ratio=0.234
Memory used: 17 MB  Time elapsed: 75 s

 ***** [NRG] Iteration 55/66 (scale 6.3913435019712775e-09) ***** 
[1] xi(54)=1 zeta(55)=0
Stats: nr=33 min=1 max=246 sum3=42402345
Emax=10.8201119155 nrkept=567 nrkeptmult=1322 
Total energy=-3.38745727175  Egs=-0.802585450833
Kept: 567 out of 1857, ratio=0.305
Memory used: 17 MB  Time elapsed: 75 s

 ***** [NRG] Iteration 56/66 (scale 4.5193623311364666e-09) ***** 
[1] xi(55)=1 zeta(56)=0
Stats: nr=34 min=1 max=244 sum3=61218744
Emax=10.5198533787 nrkept=498 nrkeptmult=1142 
Total energy=-3.38745727899  Egs=-1.60236466661
Kept: 498 out of 2124, ratio=0.234
Memory used: 17 MB  Time elapsed: 75 s

 ***** [NRG] Iteration 57/66 (scale 3.1956717509856388e-09) ***** 
[1] xi(56)=1 zeta(57)=0
Stats: nr=33 min=1 max=246 sum3=42402345
Emax=10.8305156042 nrkept=567 nrkeptmult=1324 
Total energy=-3.38745728156  Egs=-0.802284565102
Kept: 567 out of 1857, ratio=0.305
Memory used: 17 MB  Time elapsed: 76 s

 ***** [NRG] Iteration 58/66 (scale 2.2596811655682333e-09) ***** 
[1] xi(57)=1 zeta(58)=0
Stats: nr=34 min=1 max=243 sum3=60833952
Emax=10.5229689331 nrkept=498 nrkeptmult=1142 
Total energy=-3.38745728518  Egs=-1.60269768532
Kept: 498 out of 2124, ratio=0.234
Memory used: 17 MB  Time elapsed: 76 s

 ***** [NRG] Iteration 59/66 (scale 1.5978358754928194e-09) ***** 
[1] xi(58)=1 zeta(59)=0
Stats: nr=33 min=1 max=246 sum3=42402345
Emax=10.8340853306 nrkept=567 nrkeptmult=1324 
Total energy=-3.38745728646  Egs=-0.802133924409
Kept: 567 out of 1857, ratio=0.305
Memory used: 17 MB  Time elapsed: 76 s

 ***** [NRG] Iteration 60/66 (scale 1.1298405827841166e-09) ***** 
[1] xi(59)=1 zeta(60)=0
Stats: nr=34 min=1 max=243 sum3=60833952
Emax=10.5245252719 nrkept=498 nrkeptmult=1142 
Total energy=-3.38745728827  Egs=-1.6028643831
Kept: 498 out of 2124, ratio=0.234
Memory used: 17 MB  Time elapsed: 76 s

 ***** [NRG] Iteration 61/66 (scale 7.9891793774640969e-10) ***** 
[1] xi(60)=1 zeta(61)=0
Stats: nr=33 min=1 max=246 sum3=42402345
Emax=10.8358667831 nrkept=567 nrkeptmult=1324 
Total energy=-3.38745728891  Egs=-0.80205855451
Kept: 567 out of 1857, ratio=0.305
Memory used: 17 MB  Time elapsed: 76 s

 ***** [NRG] Iteration 62/66 (scale 5.6492029139205832e-10) ***** 
[1] xi(61)=1 zeta(62)=0
Stats: nr=34 min=1 max=243 sum3=60833952
Emax=10.5253042923 nrkept=498 nrkeptmult=1142 
Total energy=-3.38745728982  Egs=-1.60294777916
Kept: 498 out of 2124, ratio=0.234
Memory used: 18 MB  Time elapsed: 76 s

 ***** [NRG] Iteration 63/66 (scale 3.9945896887320485e-10) ***** 
[1] xi(62)=1 zeta(63)=0
Stats: nr=33 min=1 max=246 sum3=42402345
Emax=10.8367566668 nrkept=567 nrkeptmult=1324 
Total energy=-3.38745729014  Egs=-0.802020857161
Kept: 567 out of 1857, ratio=0.305
Memory used: 18 MB  Time elapsed: 77 s

 ***** [NRG] Iteration 64/66 (scale 2.8246014569602916e-10) ***** 
[1] xi(63)=1 zeta(64)=0
Stats: nr=34 min=1 max=243 sum3=60833952
Emax=10.5256940157 nrkept=498 nrkeptmult=1142 
Total energy=-3.38745729059  Egs=-1.60298948898
Kept: 498 out of 2124, ratio=0.234
Memory used: 18 MB  Time elapsed: 77 s

 ***** [NRG] Iteration 65/66 (scale 1.9972948443660242e-10) ***** 
[1] xi(64)=1 zeta(65)=0
Stats: nr=33 min=1 max=246 sum3=42402345
Emax=10.8372014008 nrkept=567 nrkeptmult=1324 
Total energy=-3.38745729075  Egs=-0.802002005386
Kept: 567 out of 1857, ratio=0.305
Memory used: 18 MB  Time elapsed: 77 s

 ***** [NRG] Iteration 66/66 (scale 1.4123007284801458e-10) ***** 
[1] xi(65)=1 zeta(66)=0
Stats: nr=34 min=1 max=243 sum3=60833952
Emax=10.5258889307 nrkept=498 nrkeptmult=1142 
Total energy=-3.38745729098  Egs=-1.60301034684
Kept: 498 out of 2124, ratio=0.234
Memory used: 18 MB  Time elapsed: 77 s

** Iteration completed.


Total energy:             -3.387457290975777
TKW=1.13704891392e-06
Grand canonical Z=              9.640071829597465
Zft (last shell)=               9.624373970846223

Memory usage report
===================
  after diag: 62904 kB
after recalc: 21792 kB
 after split: 84148 kB
  after trim: 18676 kB
 after trunc: 63088 kB
      diag_h: 62904 kB

Peak usage: 84148 kB

Timing report
=============
         All: 77 s
        diag: 76 s
       Other: 1 s
