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  5 2013 at 18:59:39

No MPI: single node calculation.

workdir=.
Tmin=1e-10 -> Nmax=67
TEMPERATURE T=1.41230072848e-10
Nmax=67
Tmin=1e-10
Ninit=0
Lambda=2
strategy=kept
lastall=0
lastalloverride=0
z=0.25
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: 	CLEAN	 Variant: 		 Channels: 	1
>>  U=	0.1	 Gamma=	0.1	 Delta=	0.	 t=	0.
>> 
>>  Gamma^(1/2)=	0.252313252202016
>>  Lambda=	2.	 BAND=	flat
>>  DISCRETIZATION=	Z	 z=	0.25
>>  ops=	
V7
>>  Number of channels, impurities, subspaces: 
channels=1 impurities=0 subspaces=3
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=0.25
# keep=5000 keepenergy=10 Nmax=67 channels=1 dots=0 betabar=1

Number of invariant subspaces: 3
(-1 1) 1 states
0 
(0 2) 1 states
0 
(1 1) 1 states
0 
Number of states (multiplicity taken into account): 4

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

Computing the following spectra:

Before NRG iteration (N=-1)

 ***** [NRG] Iteration 1/67 (scale 1.2131570881878404) ***** 
[1] xi(0)=0.473132378817 zeta(1)=0
Stats: nr=6 min=1 max=3 sum3=46
Emax=1.89252951527 nrkept=10 nrkeptmult=16 
Total energy=-1.14796779803  Egs=-0.946264757634
Kept: 10 out of 10, ratio=1
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 2/67 (scale 0.85783160370214839) ***** 
[1] xi(1)=0.631518937152 zeta(2)=0
Stats: nr=10 min=1 max=8 sum3=1055
Emax=3.68027099818 nrkept=35 nrkeptmult=64 
Total energy=-1.57852638621  Egs=-0.501915045248
Kept: 35 out of 35, ratio=1
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 3/67 (scale 0.6065785440939202) ***** 
[1] xi(2)=0.974788923894 zeta(3)=0
Stats: nr=15 min=1 max=20 sum3=30066
Emax=8.47403524494 nrkept=126 nrkeptmult=256 
Total energy=-2.57008398074  Egs=-1.63467304305
Kept: 126 out of 126, ratio=1
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 4/67 (scale 0.4289158018510742) ***** 
[1] xi(3)=1.2027371305 zeta(4)=0
Stats: nr=21 min=1 max=75 sum3=1007202
Safeguard: keep additional 7 states
Emax=10.3150670968 nrkept=402 nrkeptmult=900 
Total energy=-3.03235908638  Egs=-1.07777587967
Kept: 402 out of 462, ratio=0.87
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 5/67 (scale 0.3032892720469601) ***** 
[1] xi(4)=1.12253968187 zeta(5)=0
Stats: nr=28 min=1 max=180 sum3=23609012
Emax=10.334887009 nrkept=594 nrkeptmult=1404 
Total energy=-3.54826990599  Egs=-1.70105198949
Kept: 594 out of 1496, ratio=0.397
Memory used: 8 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 6/67 (scale 0.2144579009255371) ***** 
[1] xi(5)=1.03243378845 zeta(6)=0
Stats: nr=33 min=2 max=284 sum3=67132850
Safeguard: keep additional 2 states
Emax=10.2231905661 nrkept=734 nrkeptmult=1748 
Total energy=-3.72588213698  Egs=-0.828191594858
Kept: 734 out of 2234, ratio=0.329
Memory used: 11 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 7/67 (scale 0.15164463602348005) ***** 
[1] xi(6)=1.00829687067 zeta(7)=0
Stats: nr=38 min=1 max=302 sum3=120093482
Safeguard: keep additional 3 states
Emax=10.3988001606 nrkept=567 nrkeptmult=1321 
Total energy=-3.96983377653  Egs=-1.60870602444
Kept: 567 out of 2750, ratio=0.206
Memory used: 11 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 8/67 (scale 0.10722895046276855) ***** 
[1] xi(7)=1.00300214986 zeta(8)=0
Stats: nr=33 min=1 max=273 sum3=59736858
Safeguard: keep additional 6 states
Emax=10.4324158373 nrkept=581 nrkeptmult=1360 
Total energy=-4.05617803218  Egs=-0.805232684593
Kept: 581 out of 2118, ratio=0.274
Memory used: 12 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 9/67 (scale 0.075822318011740025) ***** 
[1] xi(8)=1.00131950393 zeta(9)=0
Stats: nr=34 min=1 max=249 sum3=65536284
Emax=10.5246961805 nrkept=498 nrkeptmult=1142 
Total energy=-4.17779545746  Egs=-1.60397925669
Kept: 498 out of 2178, ratio=0.229
Memory used: 13 MB  Time elapsed: 1 s

 ***** [NRG] Iteration 10/67 (scale 0.053614475231384275) ***** 
[1] xi(9)=1.00062206904 zeta(10)=0
Stats: nr=33 min=1 max=246 sum3=42402345
Safeguard: keep additional 7 states
Emax=10.8371199889 nrkept=574 nrkeptmult=1336 
Total energy=-4.22083191866  Egs=-0.802702274198
Kept: 574 out of 1857, ratio=0.309
Memory used: 15 MB  Time elapsed: 1 s

 ***** [NRG] Iteration 11/67 (scale 0.037911159005870013) ***** 
[1] xi(10)=1.00030223414 zeta(11)=0
Stats: nr=34 min=1 max=248 sum3=64014122
Emax=10.5257301145 nrkept=498 nrkeptmult=1142 
Total energy=-4.28161290986  Egs=-1.60324803538
Kept: 498 out of 2150, ratio=0.232
Memory used: 17 MB  Time elapsed: 1 s

 ***** [NRG] Iteration 12/67 (scale 0.026807237615692137) ***** 
[1] xi(11)=1.00014898132 zeta(12)=0
Stats: nr=33 min=1 max=246 sum3=42402345
Safeguard: keep additional 7 states
Emax=10.8375072004 nrkept=574 nrkeptmult=1336 
Total energy=-4.30311654576  Egs=-0.802157843023
Kept: 574 out of 1857, ratio=0.309
Memory used: 17 MB  Time elapsed: 1 s

 ***** [NRG] Iteration 13/67 (scale 0.018955579502935006) ***** 
[1] xi(12)=1.00007396421 zeta(13)=0
Stats: nr=34 min=1 max=248 sum3=64014122
Emax=10.5259850993 nrkept=498 nrkeptmult=1142 
Total energy=-4.33350393622  Egs=-1.60308422399
Kept: 498 out of 2150, ratio=0.232
Memory used: 18 MB  Time elapsed: 1 s

 ***** [NRG] Iteration 14/67 (scale 0.013403618807846069) ***** 
[1] xi(13)=1.0000368514 zeta(14)=0
Stats: nr=33 min=1 max=246 sum3=42402345
Safeguard: keep additional 7 states
Emax=10.8376025827 nrkept=574 nrkeptmult=1336 
Total energy=-4.34425399389  Egs=-0.802026514781
Kept: 574 out of 1857, ratio=0.309
Memory used: 18 MB  Time elapsed: 2 s

 ***** [NRG] Iteration 15/67 (scale 0.0094777897514675032) ***** 
[1] xi(14)=1.00001839314 zeta(15)=0
Stats: nr=34 min=1 max=248 sum3=64014122
Emax=10.5260483931 nrkept=498 nrkeptmult=1142 
Total energy=-4.35944731156  Egs=-1.60304438762
Kept: 498 out of 2150, ratio=0.232
Memory used: 18 MB  Time elapsed: 2 s

 ***** [NRG] Iteration 16/67 (scale 0.0067018094039230343) ***** 
[1] xi(15)=1.00000918844 zeta(16)=0
Stats: nr=33 min=1 max=246 sum3=42402345
Safeguard: keep additional 7 states
Emax=10.8376263399 nrkept=574 nrkeptmult=1336 
Total energy=-4.36482212231  Egs=-0.801993973126
Kept: 574 out of 1857, ratio=0.309
Memory used: 18 MB  Time elapsed: 2 s

 ***** [NRG] Iteration 17/67 (scale 0.0047388948757337516) ***** 
[1] xi(16)=1.00000459219 zeta(17)=0
Stats: nr=34 min=1 max=248 sum3=64014122
Emax=10.5260641888 nrkept=498 nrkeptmult=1142 
Total energy=-4.37241873428  Egs=-1.60303449734
Kept: 498 out of 2150, ratio=0.232
Memory used: 18 MB  Time elapsed: 2 s

 ***** [NRG] Iteration 18/67 (scale 0.0033509047019615172) ***** 
[1] xi(17)=1.00000229559 zeta(18)=0
Stats: nr=33 min=1 max=246 sum3=42402345
Safeguard: keep additional 7 states
Emax=10.8376322739 nrkept=574 nrkeptmult=1336 
Total energy=-4.37510611245  Egs=-0.801985855739
Kept: 574 out of 1857, ratio=0.309
Memory used: 20 MB  Time elapsed: 2 s

 ***** [NRG] Iteration 19/67 (scale 0.0023694474378668758) ***** 
[1] xi(18)=1.00000114767 zeta(19)=0
Stats: nr=34 min=1 max=248 sum3=64014122
Emax=10.526068136 nrkept=498 nrkeptmult=1142 
Total energy=-4.37890441259  Egs=-1.60303202905
Kept: 498 out of 2150, ratio=0.232
Memory used: 21 MB  Time elapsed: 3 s

 ***** [NRG] Iteration 20/67 (scale 0.0016754523509807586) ***** 
[1] xi(19)=1.0000005738 zeta(20)=0
Stats: nr=33 min=1 max=246 sum3=42402345
Safeguard: keep additional 7 states
Emax=10.8376337571 nrkept=574 nrkeptmult=1336 
Total energy=-4.38024809828  Egs=-0.801983827517
Kept: 574 out of 1857, ratio=0.309
Memory used: 21 MB  Time elapsed: 3 s

 ***** [NRG] Iteration 21/67 (scale 0.0011847237189334379) ***** 
[1] xi(20)=1.00000028689 zeta(21)=0
Stats: nr=34 min=1 max=248 sum3=64014122
Emax=10.5260691227 nrkept=498 nrkeptmult=1142 
Total energy=-4.38214724761  Egs=-1.60303141225
Kept: 498 out of 2150, ratio=0.232
Memory used: 21 MB  Time elapsed: 3 s

 ***** [NRG] Iteration 22/67 (scale 0.00083772617549037929) ***** 
[1] xi(21)=1.00000014344 zeta(22)=0
Stats: nr=33 min=1 max=246 sum3=42402345
Safeguard: keep additional 7 states
Emax=10.8376341279 nrkept=574 nrkeptmult=1336 
Total energy=-4.38281909003  Egs=-0.801983320532
Kept: 574 out of 1857, ratio=0.309
Memory used: 21 MB  Time elapsed: 3 s

 ***** [NRG] Iteration 23/67 (scale 0.00059236185946671895) ***** 
[1] xi(22)=1.00000007172 zeta(23)=0
Stats: nr=34 min=1 max=248 sum3=64014122
Emax=10.5260693694 nrkept=498 nrkeptmult=1142 
Total energy=-4.38376866461  Egs=-1.60303125806
Kept: 498 out of 2150, ratio=0.232
Memory used: 21 MB  Time elapsed: 3 s

 ***** [NRG] Iteration 24/67 (scale 0.00041886308774518965) ***** 
[1] xi(23)=1.00000003586 zeta(24)=0
Stats: nr=33 min=1 max=246 sum3=42402345
Safeguard: keep additional 7 states
Emax=10.8376342206 nrkept=574 nrkeptmult=1336 
Total energy=-4.38410458577  Egs=-0.80198319379
Kept: 574 out of 1857, ratio=0.309
Memory used: 21 MB  Time elapsed: 4 s

 ***** [NRG] Iteration 25/67 (scale 0.00029618092973335947) ***** 
[1] xi(24)=1.00000001793 zeta(25)=0
Stats: nr=34 min=1 max=248 sum3=64014122
Emax=10.5260694311 nrkept=498 nrkeptmult=1142 
Total energy=-4.38457937304  Egs=-1.60303121952
Kept: 498 out of 2150, ratio=0.232
Memory used: 21 MB  Time elapsed: 4 s

 ***** [NRG] Iteration 26/67 (scale 0.00020943154387259482) ***** 
[1] xi(25)=1.00000000897 zeta(26)=0
Stats: nr=33 min=1 max=246 sum3=42402345
Safeguard: keep additional 7 states
Emax=10.8376342438 nrkept=574 nrkeptmult=1336 
Total energy=-4.38474733362  Egs=-0.801983162104
Kept: 574 out of 1857, ratio=0.309
Memory used: 21 MB  Time elapsed: 4 s

 ***** [NRG] Iteration 27/67 (scale 0.00014809046486667974) ***** 
[1] xi(26)=1.00000000448 zeta(27)=0
Stats: nr=34 min=1 max=248 sum3=64014122
Emax=10.5260694465 nrkept=498 nrkeptmult=1142 
Total energy=-4.38498472725  Egs=-1.60303120988
Kept: 498 out of 2150, ratio=0.232
Memory used: 21 MB  Time elapsed: 4 s

 ***** [NRG] Iteration 28/67 (scale 0.00010471577193629741) ***** 
[1] xi(27)=1.00000000224 zeta(28)=0
Stats: nr=33 min=1 max=246 sum3=42402345
Safeguard: keep additional 7 states
Emax=10.8376342496 nrkept=574 nrkeptmult=1336 
Total energy=-4.38506870754  Egs=-0.801983154183
Kept: 574 out of 1857, ratio=0.309
Memory used: 22 MB  Time elapsed: 4 s

 ***** [NRG] Iteration 29/67 (scale 7.4045232433339868e-05) ***** 
[1] xi(28)=1.00000000112 zeta(29)=0
Stats: nr=34 min=1 max=248 sum3=64014122
Emax=10.5260694503 nrkept=498 nrkeptmult=1142 
Total energy=-4.38518740436  Egs=-1.60303120747
Kept: 498 out of 2150, ratio=0.232
Memory used: 22 MB  Time elapsed: 5 s

 ***** [NRG] Iteration 30/67 (scale 5.2357885968148706e-05) ***** 
[1] xi(29)=1.00000000056 zeta(30)=0
Stats: nr=33 min=1 max=246 sum3=42402345
Safeguard: keep additional 7 states
Emax=10.837634251 nrkept=574 nrkeptmult=1336 
Total energy=-4.3852293945  Egs=-0.801983152203
Kept: 574 out of 1857, ratio=0.309
Memory used: 22 MB  Time elapsed: 5 s

 ***** [NRG] Iteration 31/67 (scale 3.7022616216669934e-05) ***** 
[1] xi(30)=1.00000000028 zeta(31)=0
Stats: nr=34 min=1 max=248 sum3=64014122
Emax=10.5260694513 nrkept=498 nrkeptmult=1142 
Total energy=-4.38528874291  Egs=-1.60303120687
Kept: 498 out of 2150, ratio=0.232
Memory used: 22 MB  Time elapsed: 5 s

 ***** [NRG] Iteration 32/67 (scale 2.6178942984074353e-05) ***** 
[1] xi(31)=1.00000000014 zeta(32)=0
Stats: nr=33 min=1 max=246 sum3=42402345
Safeguard: keep additional 7 states
Emax=10.8376342514 nrkept=574 nrkeptmult=1336 
Total energy=-4.38530973798  Egs=-0.801983151708
Kept: 574 out of 1857, ratio=0.309
Memory used: 22 MB  Time elapsed: 5 s

 ***** [NRG] Iteration 33/67 (scale 1.8511308108334967e-05) ***** 
[1] xi(32)=1.00000000007 zeta(33)=0
Stats: nr=34 min=1 max=248 sum3=64014122
Emax=10.5260694515 nrkept=498 nrkeptmult=1142 
Total energy=-4.38533941218  Egs=-1.60303120672
Kept: 498 out of 2150, ratio=0.232
Memory used: 22 MB  Time elapsed: 5 s

 ***** [NRG] Iteration 34/67 (scale 1.3089471492037176e-05) ***** 
[1] xi(33)=1.00000000004 zeta(34)=0
Stats: nr=33 min=1 max=246 sum3=42402345
Safeguard: keep additional 7 states
Emax=10.8376342515 nrkept=574 nrkeptmult=1336 
Total energy=-4.38534990972  Egs=-0.801983151584
Kept: 574 out of 1857, ratio=0.309
Memory used: 22 MB  Time elapsed: 5 s

 ***** [NRG] Iteration 35/67 (scale 9.2556540541674836e-06) ***** 
[1] xi(34)=1.00000000002 zeta(35)=0
Stats: nr=34 min=1 max=248 sum3=64014122
Emax=10.5260694516 nrkept=498 nrkeptmult=1142 
Total energy=-4.38536474682  Egs=-1.60303120668
Kept: 498 out of 2150, ratio=0.232
Memory used: 22 MB  Time elapsed: 6 s

 ***** [NRG] Iteration 36/67 (scale 6.5447357460185882e-06) ***** 
[1] xi(35)=1.00000000001 zeta(36)=0
Stats: nr=33 min=1 max=246 sum3=42402345
Safeguard: keep additional 7 states
Emax=10.8376342515 nrkept=574 nrkeptmult=1336 
Total energy=-4.38536999559  Egs=-0.801983151553
Kept: 574 out of 1857, ratio=0.309
Memory used: 22 MB  Time elapsed: 6 s

 ***** [NRG] Iteration 37/67 (scale 4.6278270270837418e-06) ***** 
[1] xi(36)=1 zeta(37)=0
Stats: nr=34 min=1 max=248 sum3=64014122
Emax=10.5260694516 nrkept=498 nrkeptmult=1142 
Total energy=-4.38537741414  Egs=-1.60303120667
Kept: 498 out of 2150, ratio=0.232
Memory used: 22 MB  Time elapsed: 6 s

 ***** [NRG] Iteration 38/67 (scale 3.2723678730092941e-06) ***** 
[1] xi(37)=1 zeta(38)=0
Stats: nr=33 min=1 max=246 sum3=42402345
Safeguard: keep additional 7 states
Emax=10.8376342515 nrkept=574 nrkeptmult=1336 
Total energy=-4.38538003852  Egs=-0.801983151545
Kept: 574 out of 1857, ratio=0.309
Memory used: 22 MB  Time elapsed: 6 s

 ***** [NRG] Iteration 39/67 (scale 2.3139135135418709e-06) ***** 
[1] xi(38)=1 zeta(39)=0
Stats: nr=34 min=1 max=248 sum3=64014122
Emax=10.5260694516 nrkept=498 nrkeptmult=1142 
Total energy=-4.3853837478  Egs=-1.60303120667
Kept: 498 out of 2150, ratio=0.232
Memory used: 22 MB  Time elapsed: 7 s

 ***** [NRG] Iteration 40/67 (scale 1.6361839365046471e-06) ***** 
[1] xi(39)=1 zeta(40)=0
Stats: nr=33 min=1 max=246 sum3=42402345
Safeguard: keep additional 7 states
Emax=10.8376342515 nrkept=574 nrkeptmult=1336 
Total energy=-4.38538505999  Egs=-0.801983151543
Kept: 574 out of 1857, ratio=0.309
Memory used: 22 MB  Time elapsed: 7 s

 ***** [NRG] Iteration 41/67 (scale 1.1569567567709354e-06) ***** 
[1] xi(40)=1 zeta(41)=0
Stats: nr=34 min=1 max=248 sum3=64014122
Emax=10.5260694516 nrkept=498 nrkeptmult=1142 
Total energy=-4.38538691463  Egs=-1.60303120667
Kept: 498 out of 2150, ratio=0.232
Memory used: 22 MB  Time elapsed: 7 s

 ***** [NRG] Iteration 42/67 (scale 8.1809196825232353e-07) ***** 
[1] xi(41)=1 zeta(42)=0
Stats: nr=33 min=1 max=246 sum3=42402345
Safeguard: keep additional 7 states
Emax=10.8376342515 nrkept=574 nrkeptmult=1336 
Total energy=-4.38538757073  Egs=-0.801983151543
Kept: 574 out of 1857, ratio=0.309
Memory used: 22 MB  Time elapsed: 7 s

 ***** [NRG] Iteration 43/67 (scale 5.7847837838546772e-07) ***** 
[1] xi(42)=1 zeta(43)=0
Stats: nr=34 min=1 max=248 sum3=64014122
Emax=10.5260694516 nrkept=498 nrkeptmult=1142 
Total energy=-4.38538849804  Egs=-1.60303120667
Kept: 498 out of 2150, ratio=0.232
Memory used: 23 MB  Time elapsed: 7 s

 ***** [NRG] Iteration 44/67 (scale 4.0904598412616176e-07) ***** 
[1] xi(43)=1 zeta(44)=0
Stats: nr=33 min=1 max=246 sum3=42402345
Safeguard: keep additional 7 states
Emax=10.8376342515 nrkept=574 nrkeptmult=1336 
Total energy=-4.38538882609  Egs=-0.801983151543
Kept: 574 out of 1857, ratio=0.309
Memory used: 23 MB  Time elapsed: 7 s

 ***** [NRG] Iteration 45/67 (scale 2.8923918919273386e-07) ***** 
[1] xi(44)=1 zeta(45)=0
Stats: nr=34 min=1 max=248 sum3=64014122
Emax=10.5260694516 nrkept=498 nrkeptmult=1142 
Total energy=-4.38538928975  Egs=-1.60303120667
Kept: 498 out of 2150, ratio=0.232
Memory used: 23 MB  Time elapsed: 8 s

 ***** [NRG] Iteration 46/67 (scale 2.0452299206308088e-07) ***** 
[1] xi(45)=1 zeta(46)=0
Stats: nr=33 min=1 max=246 sum3=42402345
Safeguard: keep additional 7 states
Emax=10.8376342515 nrkept=574 nrkeptmult=1336 
Total energy=-4.38538945378  Egs=-0.801983151543
Kept: 574 out of 1857, ratio=0.309
Memory used: 23 MB  Time elapsed: 8 s

 ***** [NRG] Iteration 47/67 (scale 1.4461959459636693e-07) ***** 
[1] xi(46)=1 zeta(47)=0
Stats: nr=34 min=1 max=248 sum3=64014122
Emax=10.5260694516 nrkept=498 nrkeptmult=1142 
Total energy=-4.38538968561  Egs=-1.60303120667
Kept: 498 out of 2150, ratio=0.232
Memory used: 23 MB  Time elapsed: 8 s

 ***** [NRG] Iteration 48/67 (scale 1.0226149603154044e-07) ***** 
[1] xi(47)=1 zeta(48)=0
Stats: nr=33 min=1 max=246 sum3=42402345
Safeguard: keep additional 7 states
Emax=10.8376342515 nrkept=574 nrkeptmult=1336 
Total energy=-4.38538976762  Egs=-0.801983151543
Kept: 574 out of 1857, ratio=0.309
Memory used: 22 MB  Time elapsed: 8 s

 ***** [NRG] Iteration 49/67 (scale 7.2309797298183465e-08) ***** 
[1] xi(48)=1 zeta(49)=0
Stats: nr=34 min=1 max=248 sum3=64014122
Emax=10.5260694516 nrkept=498 nrkeptmult=1142 
Total energy=-4.38538988353  Egs=-1.60303120667
Kept: 498 out of 2150, ratio=0.232
Memory used: 23 MB  Time elapsed: 8 s

 ***** [NRG] Iteration 50/67 (scale 5.113074801577022e-08) ***** 
[1] xi(49)=1 zeta(50)=0
Stats: nr=33 min=1 max=246 sum3=42402345
Safeguard: keep additional 7 states
Emax=10.8376342515 nrkept=574 nrkeptmult=1336 
Total energy=-4.38538992454  Egs=-0.801983151543
Kept: 574 out of 1857, ratio=0.309
Memory used: 23 MB  Time elapsed: 9 s

 ***** [NRG] Iteration 51/67 (scale 3.6154898649091733e-08) ***** 
[1] xi(50)=1 zeta(51)=0
Stats: nr=34 min=1 max=248 sum3=64014122
Emax=10.5260694516 nrkept=498 nrkeptmult=1142 
Total energy=-4.3853899825  Egs=-1.60303120667
Kept: 498 out of 2150, ratio=0.232
Memory used: 23 MB  Time elapsed: 9 s

 ***** [NRG] Iteration 52/67 (scale 2.556537400788511e-08) ***** 
[1] xi(51)=1 zeta(52)=0
Stats: nr=33 min=1 max=246 sum3=42402345
Safeguard: keep additional 7 states
Emax=10.8376342515 nrkept=574 nrkeptmult=1336 
Total energy=-4.385390003  Egs=-0.801983151543
Kept: 574 out of 1857, ratio=0.309
Memory used: 23 MB  Time elapsed: 9 s

 ***** [NRG] Iteration 53/67 (scale 1.8077449324545866e-08) ***** 
[1] xi(52)=1 zeta(53)=0
Stats: nr=34 min=1 max=248 sum3=64014122
Emax=10.5260694516 nrkept=498 nrkeptmult=1142 
Total energy=-4.38539003198  Egs=-1.60303120667
Kept: 498 out of 2150, ratio=0.232
Memory used: 24 MB  Time elapsed: 9 s

 ***** [NRG] Iteration 54/67 (scale 1.2782687003942555e-08) ***** 
[1] xi(53)=1 zeta(54)=0
Stats: nr=33 min=1 max=246 sum3=42402345
Safeguard: keep additional 7 states
Emax=10.8376342515 nrkept=574 nrkeptmult=1336 
Total energy=-4.38539004223  Egs=-0.801983151543
Kept: 574 out of 1857, ratio=0.309
Memory used: 23 MB  Time elapsed: 9 s

 ***** [NRG] Iteration 55/67 (scale 9.0387246622729332e-09) ***** 
[1] xi(54)=1 zeta(55)=0
Stats: nr=34 min=1 max=248 sum3=64014122
Emax=10.5260694516 nrkept=498 nrkeptmult=1142 
Total energy=-4.38539005672  Egs=-1.60303120667
Kept: 498 out of 2150, ratio=0.232
Memory used: 23 MB  Time elapsed: 10 s

 ***** [NRG] Iteration 56/67 (scale 6.3913435019712775e-09) ***** 
[1] xi(55)=1 zeta(56)=0
Stats: nr=33 min=1 max=246 sum3=42402345
Safeguard: keep additional 7 states
Emax=10.8376342515 nrkept=574 nrkeptmult=1336 
Total energy=-4.38539006184  Egs=-0.801983151543
Kept: 574 out of 1857, ratio=0.309
Memory used: 24 MB  Time elapsed: 10 s

 ***** [NRG] Iteration 57/67 (scale 4.5193623311364666e-09) ***** 
[1] xi(56)=1 zeta(57)=0
Stats: nr=34 min=1 max=248 sum3=64014122
Emax=10.5260694516 nrkept=498 nrkeptmult=1142 
Total energy=-4.38539006909  Egs=-1.60303120667
Kept: 498 out of 2150, ratio=0.232
Memory used: 24 MB  Time elapsed: 10 s

 ***** [NRG] Iteration 58/67 (scale 3.1956717509856388e-09) ***** 
[1] xi(57)=1 zeta(58)=0
Stats: nr=33 min=1 max=246 sum3=42402345
Safeguard: keep additional 7 states
Emax=10.8376342515 nrkept=574 nrkeptmult=1336 
Total energy=-4.38539007165  Egs=-0.801983151543
Kept: 574 out of 1857, ratio=0.309
Memory used: 23 MB  Time elapsed: 10 s

 ***** [NRG] Iteration 59/67 (scale 2.2596811655682333e-09) ***** 
[1] xi(58)=1 zeta(59)=0
Stats: nr=34 min=1 max=248 sum3=64014122
Emax=10.5260694516 nrkept=498 nrkeptmult=1142 
Total energy=-4.38539007527  Egs=-1.60303120667
Kept: 498 out of 2150, ratio=0.232
Memory used: 24 MB  Time elapsed: 10 s

 ***** [NRG] Iteration 60/67 (scale 1.5978358754928194e-09) ***** 
[1] xi(59)=1 zeta(60)=0
Stats: nr=33 min=1 max=246 sum3=42402345
Safeguard: keep additional 7 states
Emax=10.8376342515 nrkept=574 nrkeptmult=1336 
Total energy=-4.38539007656  Egs=-0.801983151543
Kept: 574 out of 1857, ratio=0.309
Memory used: 24 MB  Time elapsed: 10 s

 ***** [NRG] Iteration 61/67 (scale 1.1298405827841166e-09) ***** 
[1] xi(60)=1 zeta(61)=0
Stats: nr=34 min=1 max=248 sum3=64014122
Emax=10.5260694516 nrkept=498 nrkeptmult=1142 
Total energy=-4.38539007837  Egs=-1.60303120667
Kept: 498 out of 2150, ratio=0.232
Memory used: 24 MB  Time elapsed: 11 s

 ***** [NRG] Iteration 62/67 (scale 7.9891793774640969e-10) ***** 
[1] xi(61)=1 zeta(62)=0
Stats: nr=33 min=1 max=246 sum3=42402345
Safeguard: keep additional 7 states
Emax=10.8376342515 nrkept=574 nrkeptmult=1336 
Total energy=-4.38539007901  Egs=-0.801983151543
Kept: 574 out of 1857, ratio=0.309
Memory used: 24 MB  Time elapsed: 11 s

 ***** [NRG] Iteration 63/67 (scale 5.6492029139205832e-10) ***** 
[1] xi(62)=1 zeta(63)=0
Stats: nr=34 min=1 max=248 sum3=64014122
Emax=10.5260694516 nrkept=498 nrkeptmult=1142 
Total energy=-4.38539007991  Egs=-1.60303120667
Kept: 498 out of 2150, ratio=0.232
Memory used: 24 MB  Time elapsed: 11 s

 ***** [NRG] Iteration 64/67 (scale 3.9945896887320485e-10) ***** 
[1] xi(63)=1 zeta(64)=0
Stats: nr=33 min=1 max=246 sum3=42402345
Safeguard: keep additional 7 states
Emax=10.8376342515 nrkept=574 nrkeptmult=1336 
Total energy=-4.38539008023  Egs=-0.801983151543
Kept: 574 out of 1857, ratio=0.309
Memory used: 24 MB  Time elapsed: 11 s

 ***** [NRG] Iteration 65/67 (scale 2.8246014569602916e-10) ***** 
[1] xi(64)=1 zeta(65)=0
Stats: nr=34 min=1 max=248 sum3=64014122
Emax=10.5260694516 nrkept=498 nrkeptmult=1142 
Total energy=-4.38539008069  Egs=-1.60303120667
Kept: 498 out of 2150, ratio=0.232
Memory used: 24 MB  Time elapsed: 11 s

 ***** [NRG] Iteration 66/67 (scale 1.9972948443660242e-10) ***** 
[1] xi(65)=1 zeta(66)=0
Stats: nr=33 min=1 max=246 sum3=42402345
Safeguard: keep additional 7 states
Emax=10.8376342515 nrkept=574 nrkeptmult=1336 
Total energy=-4.38539008085  Egs=-0.801983151543
Kept: 574 out of 1857, ratio=0.309
Memory used: 24 MB  Time elapsed: 12 s

 ***** [NRG] Iteration 67/67 (scale 1.4123007284801458e-10) ***** 
[1] xi(66)=1 zeta(67)=0
Stats: nr=34 min=1 max=248 sum3=64014122
Emax=10.5260694516 nrkept=498 nrkeptmult=1142 
Total energy=-4.38539008107  Egs=-1.60303120667
Kept: 498 out of 2150, ratio=0.232
Memory used: 24 MB  Time elapsed: 12 s

** Iteration completed.


Total energy:             -4.385390081072696
TKW=0
Grand canonical Z=              9.639670037903233
Zft (last shell)=               9.623952272547697

Memory usage report
===================
  after diag: 26224 kB
after recalc: 25220 kB
 after split: 26268 kB
  after trim: 25220 kB
 after trunc: 26260 kB
      diag_h: 26224 kB

Peak usage: 26268 kB

Timing report
=============
         All: 12 s
        diag: 10 s
       Other: 2 s
