NRG Ljubljana 2.3.20 - (c) Rok Zitko <rok.zitko@ijs.si>
$Id: nrg.cc,v 1.31 2012/10/26 10:18:22 rokzitko Exp rokzitko $
Timestamp: Fri May 31 11:54:49 2013
Compiled on May 31 2013 at 20:34:53

No MPI: single node calculation.

workdir=.
Tmin=1e-16 -> Nmax=106
TEMPERATURE T=1.13258230194e-16
Nmax=106
Tmin=1e-16
Ninit=0
Lambda=2
strategy=kept
lastall=0
lastalloverride=0
z=1
discretization=Z
band=flat
betabar=1
T=1.13258230194e-16
T_ratio=1
Tmin_ratio=-999
keep=10000
keepenergy=10
keepmin=0
keepblock=0
keepzrescale=0
log=
logall=0
logenumber=10
smooth=old
alpha=0.3
omega0=-1
omega0_ratio=1
brcut=0
loggauss_b=0.3
gauss_b=0.1
limitLL=0
eta=0
finite=0
bins=100
discard_trim=1e-16
discard_immediately=1e-16
NN1=0
NN2even=1
NN2avg=0
NNtanh=0
goodE=2
savebins=0
broaden=1
broaden_max=2.5
broaden_min=-99
broaden_min_ratio=3
broaden_ratio=1.05
dumpenergies=0
saveall=0
dumpannotated=0
dumpscaled=1
dumpabs=0
dumpprecision=8
dumpgroups=1
grouptol=1e-06
dumpdiagonal=0
ops=
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=	1.
>>  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=1
# keep=10000 keepenergy=10 Nmax=106 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 1/106 (scale 0.72134752044448169) ***** 
[1] xi(0)=0.755928946018 zeta(1)=0
Stats: nr=6 min=1 max=3 sum3=46
Emax=3.02371578407 nrkept=10 nrkeptmult=16 
Total energy=-1.09057494169  Egs=-1.51185789204
Kept: 10 out of 10, ratio=1
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 2/106 (scale 0.51006972329839473) ***** 
[1] xi(1)=0.814613079963 zeta(2)=0
Stats: nr=10 min=1 max=8 sum3=1055
Emax=5.37617204026 nrkept=35 nrkeptmult=64 
Total energy=-1.37111129249  Egs=-0.54999608483
Kept: 35 out of 35, ratio=1
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 3/106 (scale 0.36067376022224085) ***** 
[1] xi(2)=0.892494029723 zeta(3)=0
Stats: nr=15 min=1 max=20 sum3=30066
Emax=10.6644059216 nrkept=126 nrkeptmult=256 
Total energy=-1.92318569214  Egs=-1.5306752543
Kept: 126 out of 126, ratio=1
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 4/106 (scale 0.25503486164919736) ***** 
[1] xi(3)=0.942104180991 zeta(4)=0
Stats: nr=21 min=1 max=75 sum3=1007202
Safeguard: keep additional 12 states
Emax=10.8904131788 nrkept=351 nrkeptmult=784 
Total energy=-2.10974669745  Egs=-0.731511778846
Kept: 351 out of 462, ratio=0.76
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 5/106 (scale 0.18033688011112042) ***** 
[1] xi(4)=0.96993426226 zeta(5)=0
Stats: nr=28 min=1 max=156 sum3=15524450
Emax=10.5615927779 nrkept=462 nrkeptmult=1066 
Total energy=-2.39499642884  Egs=-1.58176037656
Kept: 462 out of 1304, ratio=0.354
Memory used: 8 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 6/106 (scale 0.12751743082459868) ***** 
[1] xi(5)=0.984675515632 zeta(6)=0
Stats: nr=33 min=1 max=226 sum3=33079329
Safeguard: keep additional 12 states
Emax=10.8510399042 nrkept=579 nrkeptmult=1344 
Total energy=-2.49494235022  Egs=-0.7837824267
Kept: 579 out of 1725, ratio=0.336
Memory used: 11 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 7/106 (scale 0.090168440055560212) ***** 
[1] xi(6)=0.992263204714 zeta(7)=0
Stats: nr=34 min=1 max=249 sum3=65097582
Emax=10.5350073337 nrkept=498 nrkeptmult=1142 
Total energy=-2.63898679642  Egs=-1.59750402821
Kept: 498 out of 2166, ratio=0.23
Memory used: 15 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 8/106 (scale 0.063758715412299341) ***** 
[1] xi(7)=0.996112749408 zeta(8)=0
Stats: nr=33 min=1 max=246 sum3=42402345
Safeguard: keep additional 12 states
Emax=10.8410058666 nrkept=579 nrkeptmult=1344 
Total energy=-2.68982763565  Egs=-0.797394346691
Kept: 579 out of 1857, ratio=0.312
Memory used: 17 MB  Time elapsed: 1 s

 ***** [NRG] Iteration 9/106 (scale 0.045084220027780106) ***** 
[1] xi(8)=0.998051634085 zeta(9)=0
Stats: nr=34 min=1 max=249 sum3=65097582
Emax=10.5283073887 nrkept=498 nrkeptmult=1142 
Total energy=-2.76203615074  Egs=-1.60163611683
Kept: 498 out of 2166, ratio=0.23
Memory used: 18 MB  Time elapsed: 1 s

 ***** [NRG] Iteration 10/106 (scale 0.031879357706149671) ***** 
[1] xi(9)=0.99902462843 zeta(10)=0
Stats: nr=33 min=1 max=246 sum3=42402345
Safeguard: keep additional 7 states
Emax=10.8384753754 nrkept=574 nrkeptmult=1336 
Total energy=-2.78756620837  Egs=-0.800833500407
Kept: 574 out of 1857, ratio=0.309
Memory used: 17 MB  Time elapsed: 1 s

 ***** [NRG] Iteration 11/106 (scale 0.022542110013890053) ***** 
[1] xi(10)=0.999512016628 zeta(11)=0
Stats: nr=34 min=1 max=248 sum3=64014122
Emax=10.5266291455 nrkept=498 nrkeptmult=1142 
Total energy=-2.8236940333  Egs=-1.60268159975
Kept: 498 out of 2150, ratio=0.232
Memory used: 18 MB  Time elapsed: 2 s

 ***** [NRG] Iteration 12/106 (scale 0.015939678853074835) ***** 
[1] xi(11)=0.999755933863 zeta(12)=0
Stats: nr=33 min=1 max=246 sum3=42402345
Safeguard: keep additional 7 states
Emax=10.8378445843 nrkept=574 nrkeptmult=1336 
Total energy=-2.83647280347  Egs=-0.80169558517
Kept: 574 out of 1857, ratio=0.309
Memory used: 19 MB  Time elapsed: 2 s

 ***** [NRG] Iteration 13/106 (scale 0.011271055006945026) ***** 
[1] xi(12)=0.999877948312 zeta(13)=0
Stats: nr=34 min=1 max=248 sum3=64014122
Emax=10.5262093862 nrkept=498 nrkeptmult=1142 
Total energy=-2.85453967068  Egs=-1.60294375264
Kept: 498 out of 2150, ratio=0.232
Memory used: 20 MB  Time elapsed: 2 s

 ***** [NRG] Iteration 14/106 (scale 0.0079698394265374176) ***** 
[1] xi(13)=0.9999389695 zeta(14)=0
Stats: nr=33 min=1 max=246 sum3=42402345
Safeguard: keep additional 7 states
Emax=10.8376868356 nrkept=574 nrkeptmult=1336 
Total energy=-2.86093077458  Egs=-0.801911250393
Kept: 574 out of 1857, ratio=0.309
Memory used: 20 MB  Time elapsed: 3 s

 ***** [NRG] Iteration 15/106 (scale 0.0056355275034725132) ***** 
[1] xi(14)=0.999969483586 zeta(15)=0
Stats: nr=34 min=1 max=248 sum3=64014122
Emax=10.526104435 nrkept=498 nrkeptmult=1142 
Total energy=-2.8699645778  Egs=-1.60300933985
Kept: 498 out of 2150, ratio=0.232
Memory used: 20 MB  Time elapsed: 3 s

 ***** [NRG] Iteration 16/106 (scale 0.0039849197132687088) ***** 
[1] xi(15)=0.999984741502 zeta(16)=0
Stats: nr=33 min=1 max=246 sum3=42402345
Safeguard: keep additional 7 states
Emax=10.8376473968 nrkept=574 nrkeptmult=1336 
Total energy=-2.87316034464  Egs=-0.801965175684
Kept: 574 out of 1857, ratio=0.309
Memory used: 21 MB  Time elapsed: 3 s

 ***** [NRG] Iteration 17/106 (scale 0.0028177637517362566) ***** 
[1] xi(16)=0.999992370678 zeta(17)=0
Stats: nr=34 min=1 max=248 sum3=64014122
Emax=10.526078197 nrkept=498 nrkeptmult=1142 
Total energy=-2.87767729246  Egs=-1.60302573974
Kept: 498 out of 2150, ratio=0.232
Memory used: 21 MB  Time elapsed: 4 s

 ***** [NRG] Iteration 18/106 (scale 0.0019924598566343544) ***** 
[1] xi(17)=0.999996185321 zeta(18)=0
Stats: nr=33 min=1 max=246 sum3=42402345
Safeguard: keep additional 7 states
Emax=10.8376375374 nrkept=574 nrkeptmult=1336 
Total energy=-2.87927520274  Egs=-0.801978657555
Kept: 574 out of 1857, ratio=0.309
Memory used: 21 MB  Time elapsed: 4 s

 ***** [NRG] Iteration 19/106 (scale 0.0014088818758681283) ***** 
[1] xi(18)=0.999998092656 zeta(19)=0
Stats: nr=34 min=1 max=248 sum3=64014122
Emax=10.5260716377 nrkept=498 nrkeptmult=1142 
Total energy=-2.88153368243  Egs=-1.60302983991
Kept: 498 out of 2150, ratio=0.232
Memory used: 21 MB  Time elapsed: 5 s

 ***** [NRG] Iteration 20/106 (scale 0.0009962299283171772) ***** 
[1] xi(19)=0.999999046327 zeta(20)=0
Stats: nr=33 min=1 max=246 sum3=42402345
Safeguard: keep additional 7 states
Emax=10.8376350728 nrkept=574 nrkeptmult=1336 
Total energy=-2.88233264093  Egs=-0.801982028051
Kept: 574 out of 1857, ratio=0.309
Memory used: 22 MB  Time elapsed: 5 s

 ***** [NRG] Iteration 21/106 (scale 0.00070444093793406415) ***** 
[1] xi(20)=0.999999523163 zeta(21)=0
Stats: nr=34 min=1 max=248 sum3=64014122
Emax=10.526069998 nrkept=498 nrkeptmult=1142 
Total energy=-2.8834618815  Egs=-1.60303086497
Kept: 498 out of 2150, ratio=0.232
Memory used: 22 MB  Time elapsed: 5 s

 ***** [NRG] Iteration 22/106 (scale 0.0004981149641585886) ***** 
[1] xi(21)=0.999999761581 zeta(22)=0
Stats: nr=33 min=1 max=246 sum3=42402345
Safeguard: keep additional 7 states
Emax=10.8376344567 nrkept=574 nrkeptmult=1336 
Total energy=-2.88386136116  Egs=-0.801982870673
Kept: 574 out of 1857, ratio=0.309
Memory used: 21 MB  Time elapsed: 6 s

 ***** [NRG] Iteration 23/106 (scale 0.00035222046896703208) ***** 
[1] xi(22)=0.999999880791 zeta(23)=0
Stats: nr=34 min=1 max=248 sum3=64014122
Emax=10.5260695881 nrkept=498 nrkeptmult=1142 
Total energy=-2.88442598154  Egs=-1.60303112124
Kept: 498 out of 2150, ratio=0.232
Memory used: 22 MB  Time elapsed: 6 s

 ***** [NRG] Iteration 24/106 (scale 0.0002490574820792943) ***** 
[1] xi(23)=0.999999940395 zeta(24)=0
Stats: nr=33 min=1 max=246 sum3=42402345
Safeguard: keep additional 7 states
Emax=10.8376343028 nrkept=574 nrkeptmult=1336 
Total energy=-2.88462572142  Egs=-0.801983081327
Kept: 574 out of 1857, ratio=0.309
Memory used: 22 MB  Time elapsed: 6 s

 ***** [NRG] Iteration 25/106 (scale 0.00017611023448351604) ***** 
[1] xi(24)=0.999999970198 zeta(25)=0
Stats: nr=34 min=1 max=248 sum3=64014122
Emax=10.5260694857 nrkept=498 nrkeptmult=1142 
Total energy=-2.88490803162  Egs=-1.60303118531
Kept: 498 out of 2150, ratio=0.232
Memory used: 22 MB  Time elapsed: 7 s

 ***** [NRG] Iteration 26/106 (scale 0.00012452874103964715) ***** 
[1] xi(25)=0.999999985099 zeta(26)=0
Stats: nr=33 min=1 max=246 sum3=42402345
Safeguard: keep additional 7 states
Emax=10.8376342643 nrkept=574 nrkeptmult=1336 
Total energy=-2.88500790157  Egs=-0.80198313399
Kept: 574 out of 1857, ratio=0.309
Memory used: 22 MB  Time elapsed: 7 s

 ***** [NRG] Iteration 27/106 (scale 8.8055117241758019e-05) ***** 
[1] xi(26)=0.999999992549 zeta(27)=0
Stats: nr=34 min=1 max=248 sum3=64014122
Emax=10.5260694601 nrkept=498 nrkeptmult=1142 
Total energy=-2.88514905667  Egs=-1.60303120133
Kept: 498 out of 2150, ratio=0.232
Memory used: 22 MB  Time elapsed: 8 s

 ***** [NRG] Iteration 28/106 (scale 6.2264370519823575e-05) ***** 
[1] xi(27)=0.999999996275 zeta(28)=0
Stats: nr=33 min=1 max=246 sum3=42402345
Safeguard: keep additional 7 states
Emax=10.8376342547 nrkept=574 nrkeptmult=1336 
Total energy=-2.88519899165  Egs=-0.801983147155
Kept: 574 out of 1857, ratio=0.309
Memory used: 23 MB  Time elapsed: 8 s

 ***** [NRG] Iteration 29/106 (scale 4.402755862087901e-05) ***** 
[1] xi(28)=0.999999998137 zeta(29)=0
Stats: nr=34 min=1 max=248 sum3=64014122
Emax=10.5260694537 nrkept=498 nrkeptmult=1142 
Total energy=-2.8852695692  Egs=-1.60303120534
Kept: 498 out of 2150, ratio=0.232
Memory used: 23 MB  Time elapsed: 8 s

 ***** [NRG] Iteration 30/106 (scale 3.1132185259911788e-05) ***** 
[1] xi(29)=0.999999999069 zeta(30)=0
Stats: nr=33 min=1 max=246 sum3=42402345
Safeguard: keep additional 7 states
Emax=10.8376342523 nrkept=574 nrkeptmult=1336 
Total energy=-2.88529453669  Egs=-0.801983150446
Kept: 574 out of 1857, ratio=0.309
Memory used: 23 MB  Time elapsed: 9 s

 ***** [NRG] Iteration 31/106 (scale 2.2013779310439505e-05) ***** 
[1] xi(30)=0.999999999534 zeta(31)=0
Stats: nr=34 min=1 max=248 sum3=64014122
Emax=10.5260694521 nrkept=498 nrkeptmult=1142 
Total energy=-2.88532982546  Egs=-1.60303120634
Kept: 498 out of 2150, ratio=0.232
Memory used: 23 MB  Time elapsed: 9 s

 ***** [NRG] Iteration 32/106 (scale 1.5566092629955894e-05) ***** 
[1] xi(31)=0.999999999767 zeta(32)=0
Stats: nr=33 min=1 max=246 sum3=42402345
Safeguard: keep additional 7 states
Emax=10.8376342517 nrkept=574 nrkeptmult=1336 
Total energy=-2.88534230921  Egs=-0.801983151269
Kept: 574 out of 1857, ratio=0.309
Memory used: 23 MB  Time elapsed: 9 s

 ***** [NRG] Iteration 33/106 (scale 1.1006889655219752e-05) ***** 
[1] xi(32)=0.999999999884 zeta(33)=0
Stats: nr=34 min=1 max=248 sum3=64014122
Emax=10.5260694517 nrkept=498 nrkeptmult=1142 
Total energy=-2.88535995359  Egs=-1.60303120659
Kept: 498 out of 2150, ratio=0.232
Memory used: 23 MB  Time elapsed: 10 s

 ***** [NRG] Iteration 34/106 (scale 7.7830463149779469e-06) ***** 
[1] xi(33)=0.999999999942 zeta(34)=0
Stats: nr=33 min=1 max=246 sum3=42402345
Safeguard: keep additional 7 states
Emax=10.8376342516 nrkept=574 nrkeptmult=1336 
Total energy=-2.88536619547  Egs=-0.801983151474
Kept: 574 out of 1857, ratio=0.309
Memory used: 23 MB  Time elapsed: 10 s

 ***** [NRG] Iteration 35/106 (scale 5.5034448276098762e-06) ***** 
[1] xi(34)=0.999999999971 zeta(35)=0
Stats: nr=34 min=1 max=248 sum3=64014122
Emax=10.5260694516 nrkept=498 nrkeptmult=1142 
Total energy=-2.88537501766  Egs=-1.60303120665
Kept: 498 out of 2150, ratio=0.232
Memory used: 23 MB  Time elapsed: 11 s

 ***** [NRG] Iteration 36/106 (scale 3.8915231574889735e-06) ***** 
[1] xi(35)=0.999999999985 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=-2.8853781386  Egs=-0.801983151526
Kept: 574 out of 1857, ratio=0.309
Memory used: 23 MB  Time elapsed: 11 s

 ***** [NRG] Iteration 37/106 (scale 2.7517224138049381e-06) ***** 
[1] xi(36)=0.999999999993 zeta(37)=0
Stats: nr=34 min=1 max=248 sum3=64014122
Emax=10.5260694516 nrkept=498 nrkeptmult=1142 
Total energy=-2.88538254969  Egs=-1.60303120667
Kept: 498 out of 2150, ratio=0.232
Memory used: 23 MB  Time elapsed: 11 s

 ***** [NRG] Iteration 38/106 (scale 1.9457615787444867e-06) ***** 
[1] xi(37)=0.999999999996 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=-2.88538411016  Egs=-0.801983151538
Kept: 574 out of 1857, ratio=0.309
Memory used: 24 MB  Time elapsed: 12 s

 ***** [NRG] Iteration 39/106 (scale 1.3758612069024691e-06) ***** 
[1] xi(38)=0.999999999998 zeta(39)=0
Stats: nr=34 min=1 max=248 sum3=64014122
Emax=10.5260694516 nrkept=498 nrkeptmult=1142 
Total energy=-2.88538631571  Egs=-1.60303120667
Kept: 498 out of 2150, ratio=0.232
Memory used: 24 MB  Time elapsed: 12 s

 ***** [NRG] Iteration 40/106 (scale 9.7288078937224336e-07) ***** 
[1] xi(39)=0.999999999999 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=-2.88538709594  Egs=-0.801983151542
Kept: 574 out of 1857, ratio=0.309
Memory used: 25 MB  Time elapsed: 12 s

 ***** [NRG] Iteration 41/106 (scale 6.8793060345123453e-07) ***** 
[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=-2.88538819872  Egs=-1.60303120667
Kept: 498 out of 2150, ratio=0.232
Memory used: 25 MB  Time elapsed: 13 s

 ***** [NRG] Iteration 42/106 (scale 4.8644039468612168e-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=-2.88538858883  Egs=-0.801983151542
Kept: 574 out of 1857, ratio=0.309
Memory used: 25 MB  Time elapsed: 13 s

 ***** [NRG] Iteration 43/106 (scale 3.4396530172561726e-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=-2.88538914022  Egs=-1.60303120667
Kept: 498 out of 2150, ratio=0.232
Memory used: 26 MB  Time elapsed: 13 s

 ***** [NRG] Iteration 44/106 (scale 2.4322019734306084e-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=-2.88538933528  Egs=-0.801983151543
Kept: 574 out of 1857, ratio=0.309
Memory used: 26 MB  Time elapsed: 14 s

 ***** [NRG] Iteration 45/106 (scale 1.7198265086280863e-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=-2.88538961097  Egs=-1.60303120667
Kept: 498 out of 2150, ratio=0.232
Memory used: 26 MB  Time elapsed: 14 s

 ***** [NRG] Iteration 46/106 (scale 1.2161009867153042e-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=-2.8853897085  Egs=-0.801983151543
Kept: 574 out of 1857, ratio=0.309
Memory used: 26 MB  Time elapsed: 14 s

 ***** [NRG] Iteration 47/106 (scale 8.5991325431404316e-08) ***** 
[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=-2.88538984635  Egs=-1.60303120667
Kept: 498 out of 2150, ratio=0.232
Memory used: 26 MB  Time elapsed: 15 s

 ***** [NRG] Iteration 48/106 (scale 6.080504933576521e-08) ***** 
[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=-2.88538989511  Egs=-0.801983151543
Kept: 574 out of 1857, ratio=0.309
Memory used: 26 MB  Time elapsed: 15 s

 ***** [NRG] Iteration 49/106 (scale 4.2995662715702158e-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=-2.88538996404  Egs=-1.60303120667
Kept: 498 out of 2150, ratio=0.232
Memory used: 26 MB  Time elapsed: 15 s

 ***** [NRG] Iteration 50/106 (scale 3.0402524667882605e-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=-2.88538998842  Egs=-0.801983151543
Kept: 574 out of 1857, ratio=0.309
Memory used: 26 MB  Time elapsed: 16 s

 ***** [NRG] Iteration 51/106 (scale 2.1497831357851079e-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=-2.88539002288  Egs=-1.60303120667
Kept: 498 out of 2150, ratio=0.232
Memory used: 27 MB  Time elapsed: 16 s

 ***** [NRG] Iteration 52/106 (scale 1.5201262333941303e-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=-2.88539003507  Egs=-0.801983151543
Kept: 574 out of 1857, ratio=0.309
Memory used: 26 MB  Time elapsed: 16 s

 ***** [NRG] Iteration 53/106 (scale 1.0748915678925539e-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=-2.8853900523  Egs=-1.60303120667
Kept: 498 out of 2150, ratio=0.232
Memory used: 27 MB  Time elapsed: 17 s

 ***** [NRG] Iteration 54/106 (scale 7.6006311669706513e-09) ***** 
[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=-2.8853900584  Egs=-0.801983151543
Kept: 574 out of 1857, ratio=0.309
Memory used: 27 MB  Time elapsed: 17 s

 ***** [NRG] Iteration 55/106 (scale 5.3744578394627697e-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=-2.88539006701  Egs=-1.60303120667
Kept: 498 out of 2150, ratio=0.232
Memory used: 27 MB  Time elapsed: 17 s

 ***** [NRG] Iteration 56/106 (scale 3.8003155834853256e-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=-2.88539007006  Egs=-0.801983151543
Kept: 574 out of 1857, ratio=0.309
Memory used: 27 MB  Time elapsed: 18 s

 ***** [NRG] Iteration 57/106 (scale 2.6872289197313849e-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=-2.88539007437  Egs=-1.60303120667
Kept: 498 out of 2150, ratio=0.232
Memory used: 27 MB  Time elapsed: 18 s

 ***** [NRG] Iteration 58/106 (scale 1.9001577917426628e-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=-2.88539007589  Egs=-0.801983151543
Kept: 574 out of 1857, ratio=0.309
Memory used: 27 MB  Time elapsed: 18 s

 ***** [NRG] Iteration 59/106 (scale 1.3436144598656924e-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=-2.88539007805  Egs=-1.60303120667
Kept: 498 out of 2150, ratio=0.232
Memory used: 27 MB  Time elapsed: 19 s

 ***** [NRG] Iteration 60/106 (scale 9.5007889587133141e-10) ***** 
[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=-2.88539007881  Egs=-0.801983151543
Kept: 574 out of 1857, ratio=0.309
Memory used: 27 MB  Time elapsed: 19 s

 ***** [NRG] Iteration 61/106 (scale 6.7180722993284622e-10) ***** 
[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=-2.88539007989  Egs=-1.60303120667
Kept: 498 out of 2150, ratio=0.232
Memory used: 28 MB  Time elapsed: 19 s

 ***** [NRG] Iteration 62/106 (scale 4.750394479356657e-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=-2.88539008027  Egs=-0.801983151543
Kept: 574 out of 1857, ratio=0.309
Memory used: 27 MB  Time elapsed: 20 s

 ***** [NRG] Iteration 63/106 (scale 3.3590361496642311e-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=-2.88539008081  Egs=-1.60303120667
Kept: 498 out of 2150, ratio=0.232
Memory used: 28 MB  Time elapsed: 20 s

 ***** [NRG] Iteration 64/106 (scale 2.3751972396783285e-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=-2.885390081  Egs=-0.801983151543
Kept: 574 out of 1857, ratio=0.309
Memory used: 27 MB  Time elapsed: 20 s

 ***** [NRG] Iteration 65/106 (scale 1.6795180748321155e-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=-2.88539008127  Egs=-1.60303120667
Kept: 498 out of 2150, ratio=0.232
Memory used: 28 MB  Time elapsed: 21 s

 ***** [NRG] Iteration 66/106 (scale 1.1875986198391643e-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=-2.88539008136  Egs=-0.801983151543
Kept: 574 out of 1857, ratio=0.309
Memory used: 28 MB  Time elapsed: 21 s

 ***** [NRG] Iteration 67/106 (scale 8.3975903741605777e-11) ***** 
[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=-2.8853900815  Egs=-1.60303120667
Kept: 498 out of 2150, ratio=0.232
Memory used: 29 MB  Time elapsed: 22 s

 ***** [NRG] Iteration 68/106 (scale 5.9379930991958213e-11) ***** 
[1] xi(67)=1 zeta(68)=0
Stats: nr=33 min=1 max=246 sum3=42402345
Safeguard: keep additional 7 states
Emax=10.8376342515 nrkept=574 nrkeptmult=1336 
Total energy=-2.88539008154  Egs=-0.801983151543
Kept: 574 out of 1857, ratio=0.309
Memory used: 28 MB  Time elapsed: 22 s

 ***** [NRG] Iteration 69/106 (scale 4.1987951870802889e-11) ***** 
[1] xi(68)=1 zeta(69)=0
Stats: nr=34 min=1 max=248 sum3=64014122
Emax=10.5260694516 nrkept=498 nrkeptmult=1142 
Total energy=-2.88539008161  Egs=-1.60303120667
Kept: 498 out of 2150, ratio=0.232
Memory used: 28 MB  Time elapsed: 22 s

 ***** [NRG] Iteration 70/106 (scale 2.9689965495979107e-11) ***** 
[1] xi(69)=1 zeta(70)=0
Stats: nr=33 min=1 max=246 sum3=42402345
Safeguard: keep additional 7 states
Emax=10.8376342515 nrkept=574 nrkeptmult=1336 
Total energy=-2.88539008163  Egs=-0.801983151543
Kept: 574 out of 1857, ratio=0.309
Memory used: 28 MB  Time elapsed: 23 s

 ***** [NRG] Iteration 71/106 (scale 2.0993975935401444e-11) ***** 
[1] xi(70)=1 zeta(71)=0
Stats: nr=34 min=1 max=248 sum3=64014122
Emax=10.5260694516 nrkept=498 nrkeptmult=1142 
Total energy=-2.88539008167  Egs=-1.60303120667
Kept: 498 out of 2150, ratio=0.232
Memory used: 28 MB  Time elapsed: 23 s

 ***** [NRG] Iteration 72/106 (scale 1.4844982747989553e-11) ***** 
[1] xi(71)=1 zeta(72)=0
Stats: nr=33 min=1 max=246 sum3=42402345
Safeguard: keep additional 7 states
Emax=10.8376342515 nrkept=574 nrkeptmult=1336 
Total energy=-2.88539008168  Egs=-0.801983151543
Kept: 574 out of 1857, ratio=0.309
Memory used: 28 MB  Time elapsed: 23 s

 ***** [NRG] Iteration 73/106 (scale 1.0496987967700722e-11) ***** 
[1] xi(72)=1 zeta(73)=0
Stats: nr=34 min=1 max=248 sum3=64014122
Emax=10.5260694516 nrkept=498 nrkeptmult=1142 
Total energy=-2.8853900817  Egs=-1.60303120667
Kept: 498 out of 2150, ratio=0.232
Memory used: 29 MB  Time elapsed: 24 s

 ***** [NRG] Iteration 74/106 (scale 7.4224913739947766e-12) ***** 
[1] xi(73)=1 zeta(74)=0
Stats: nr=33 min=1 max=246 sum3=42402345
Safeguard: keep additional 7 states
Emax=10.8376342515 nrkept=574 nrkeptmult=1336 
Total energy=-2.8853900817  Egs=-0.801983151543
Kept: 574 out of 1857, ratio=0.309
Memory used: 29 MB  Time elapsed: 24 s

 ***** [NRG] Iteration 75/106 (scale 5.2484939838503611e-12) ***** 
[1] xi(74)=1 zeta(75)=0
Stats: nr=34 min=1 max=248 sum3=64014122
Emax=10.5260694516 nrkept=498 nrkeptmult=1142 
Total energy=-2.88539008171  Egs=-1.60303120667
Kept: 498 out of 2150, ratio=0.232
Memory used: 29 MB  Time elapsed: 24 s

 ***** [NRG] Iteration 76/106 (scale 3.7112456869973883e-12) ***** 
[1] xi(75)=1 zeta(76)=0
Stats: nr=33 min=1 max=246 sum3=42402345
Safeguard: keep additional 7 states
Emax=10.8376342515 nrkept=574 nrkeptmult=1336 
Total energy=-2.88539008171  Egs=-0.801983151543
Kept: 574 out of 1857, ratio=0.309
Memory used: 28 MB  Time elapsed: 24 s

 ***** [NRG] Iteration 77/106 (scale 2.6242469919251805e-12) ***** 
[1] xi(76)=1 zeta(77)=0
Stats: nr=34 min=1 max=248 sum3=64014122
Emax=10.5260694516 nrkept=498 nrkeptmult=1142 
Total energy=-2.88539008172  Egs=-1.60303120667
Kept: 498 out of 2150, ratio=0.232
Memory used: 29 MB  Time elapsed: 25 s

 ***** [NRG] Iteration 78/106 (scale 1.8556228434986942e-12) ***** 
[1] xi(77)=1 zeta(78)=0
Stats: nr=33 min=1 max=246 sum3=42402345
Safeguard: keep additional 7 states
Emax=10.8376342515 nrkept=574 nrkeptmult=1336 
Total energy=-2.88539008172  Egs=-0.801983151543
Kept: 574 out of 1857, ratio=0.309
Memory used: 28 MB  Time elapsed: 25 s

 ***** [NRG] Iteration 79/106 (scale 1.3121234959625903e-12) ***** 
[1] xi(78)=1 zeta(79)=0
Stats: nr=34 min=1 max=248 sum3=64014122
Emax=10.5260694516 nrkept=498 nrkeptmult=1142 
Total energy=-2.88539008172  Egs=-1.60303120667
Kept: 498 out of 2150, ratio=0.232
Memory used: 29 MB  Time elapsed: 26 s

 ***** [NRG] Iteration 80/106 (scale 9.2781142174934708e-13) ***** 
[1] xi(79)=1 zeta(80)=0
Stats: nr=33 min=1 max=246 sum3=42402345
Safeguard: keep additional 7 states
Emax=10.8376342515 nrkept=574 nrkeptmult=1336 
Total energy=-2.88539008172  Egs=-0.801983151543
Kept: 574 out of 1857, ratio=0.309
Memory used: 29 MB  Time elapsed: 26 s

 ***** [NRG] Iteration 81/106 (scale 6.5606174798129513e-13) ***** 
[1] xi(80)=1 zeta(81)=0
Stats: nr=34 min=1 max=248 sum3=64014122
Emax=10.5260694516 nrkept=498 nrkeptmult=1142 
Total energy=-2.88539008172  Egs=-1.60303120667
Kept: 498 out of 2150, ratio=0.232
Memory used: 30 MB  Time elapsed: 26 s

 ***** [NRG] Iteration 82/106 (scale 4.6390571087467354e-13) ***** 
[1] xi(81)=1 zeta(82)=0
Stats: nr=33 min=1 max=246 sum3=42402345
Safeguard: keep additional 7 states
Emax=10.8376342515 nrkept=574 nrkeptmult=1336 
Total energy=-2.88539008172  Egs=-0.801983151543
Kept: 574 out of 1857, ratio=0.309
Memory used: 29 MB  Time elapsed: 27 s

 ***** [NRG] Iteration 83/106 (scale 3.2803087399064757e-13) ***** 
[1] xi(82)=1 zeta(83)=0
Stats: nr=34 min=1 max=248 sum3=64014122
Emax=10.5260694516 nrkept=498 nrkeptmult=1142 
Total energy=-2.88539008172  Egs=-1.60303120667
Kept: 498 out of 2150, ratio=0.232
Memory used: 29 MB  Time elapsed: 27 s

 ***** [NRG] Iteration 84/106 (scale 2.3195285543733677e-13) ***** 
[1] xi(83)=1 zeta(84)=0
Stats: nr=33 min=1 max=246 sum3=42402345
Safeguard: keep additional 7 states
Emax=10.8376342515 nrkept=574 nrkeptmult=1336 
Total energy=-2.88539008172  Egs=-0.801983151543
Kept: 574 out of 1857, ratio=0.309
Memory used: 29 MB  Time elapsed: 27 s

 ***** [NRG] Iteration 85/106 (scale 1.6401543699532378e-13) ***** 
[1] xi(84)=1 zeta(85)=0
Stats: nr=34 min=1 max=248 sum3=64014122
Emax=10.5260694516 nrkept=498 nrkeptmult=1142 
Total energy=-2.88539008172  Egs=-1.60303120667
Kept: 498 out of 2150, ratio=0.232
Memory used: 29 MB  Time elapsed: 27 s

 ***** [NRG] Iteration 86/106 (scale 1.1597642771866838e-13) ***** 
[1] xi(85)=1 zeta(86)=0
Stats: nr=33 min=1 max=246 sum3=42402345
Safeguard: keep additional 7 states
Emax=10.8376342515 nrkept=574 nrkeptmult=1336 
Total energy=-2.88539008173  Egs=-0.801983151543
Kept: 574 out of 1857, ratio=0.309
Memory used: 29 MB  Time elapsed: 28 s

 ***** [NRG] Iteration 87/106 (scale 8.2007718497661892e-14) ***** 
[1] xi(86)=1 zeta(87)=0
Stats: nr=34 min=1 max=248 sum3=64014122
Emax=10.5260694516 nrkept=498 nrkeptmult=1142 
Total energy=-2.88539008173  Egs=-1.60303120667
Kept: 498 out of 2150, ratio=0.232
Memory used: 30 MB  Time elapsed: 28 s

 ***** [NRG] Iteration 88/106 (scale 5.7988213859334192e-14) ***** 
[1] xi(87)=1 zeta(88)=0
Stats: nr=33 min=1 max=246 sum3=42402345
Safeguard: keep additional 7 states
Emax=10.8376342515 nrkept=574 nrkeptmult=1336 
Total energy=-2.88539008173  Egs=-0.801983151543
Kept: 574 out of 1857, ratio=0.309
Memory used: 29 MB  Time elapsed: 28 s

 ***** [NRG] Iteration 89/106 (scale 4.1003859248830946e-14) ***** 
[1] xi(88)=1 zeta(89)=0
Stats: nr=34 min=1 max=248 sum3=64014122
Emax=10.5260694516 nrkept=498 nrkeptmult=1142 
Total energy=-2.88539008173  Egs=-1.60303120667
Kept: 498 out of 2150, ratio=0.232
Memory used: 30 MB  Time elapsed: 29 s

 ***** [NRG] Iteration 90/106 (scale 2.8994106929667096e-14) ***** 
[1] xi(89)=1 zeta(90)=0
Stats: nr=33 min=1 max=246 sum3=42402345
Safeguard: keep additional 7 states
Emax=10.8376342515 nrkept=574 nrkeptmult=1336 
Total energy=-2.88539008173  Egs=-0.801983151543
Kept: 574 out of 1857, ratio=0.309
Memory used: 29 MB  Time elapsed: 29 s

 ***** [NRG] Iteration 91/106 (scale 2.0501929624415473e-14) ***** 
[1] xi(90)=1 zeta(91)=0
Stats: nr=34 min=1 max=248 sum3=64014122
Emax=10.5260694516 nrkept=498 nrkeptmult=1142 
Total energy=-2.88539008173  Egs=-1.60303120667
Kept: 498 out of 2150, ratio=0.232
Memory used: 30 MB  Time elapsed: 29 s

 ***** [NRG] Iteration 92/106 (scale 1.4497053464833548e-14) ***** 
[1] xi(91)=1 zeta(92)=0
Stats: nr=33 min=1 max=246 sum3=42402345
Safeguard: keep additional 7 states
Emax=10.8376342515 nrkept=574 nrkeptmult=1336 
Total energy=-2.88539008173  Egs=-0.801983151543
Kept: 574 out of 1857, ratio=0.309
Memory used: 29 MB  Time elapsed: 30 s

 ***** [NRG] Iteration 93/106 (scale 1.0250964812207736e-14) ***** 
[1] xi(92)=1 zeta(93)=0
Stats: nr=34 min=1 max=248 sum3=64014122
Emax=10.5260694516 nrkept=498 nrkeptmult=1142 
Total energy=-2.88539008173  Egs=-1.60303120667
Kept: 498 out of 2150, ratio=0.232
Memory used: 30 MB  Time elapsed: 30 s

 ***** [NRG] Iteration 94/106 (scale 7.2485267324167741e-15) ***** 
[1] xi(93)=1 zeta(94)=0
Stats: nr=33 min=1 max=246 sum3=42402345
Safeguard: keep additional 7 states
Emax=10.8376342515 nrkept=574 nrkeptmult=1336 
Total energy=-2.88539008173  Egs=-0.801983151543
Kept: 574 out of 1857, ratio=0.309
Memory used: 29 MB  Time elapsed: 30 s

 ***** [NRG] Iteration 95/106 (scale 5.1254824061038682e-15) ***** 
[1] xi(94)=1 zeta(95)=0
Stats: nr=34 min=1 max=248 sum3=64014122
Emax=10.5260694516 nrkept=498 nrkeptmult=1142 
Total energy=-2.88539008173  Egs=-1.60303120667
Kept: 498 out of 2150, ratio=0.232
Memory used: 30 MB  Time elapsed: 31 s

 ***** [NRG] Iteration 96/106 (scale 3.624263366208387e-15) ***** 
[1] xi(95)=1 zeta(96)=0
Stats: nr=33 min=1 max=246 sum3=42402345
Safeguard: keep additional 7 states
Emax=10.8376342515 nrkept=574 nrkeptmult=1336 
Total energy=-2.88539008173  Egs=-0.801983151543
Kept: 574 out of 1857, ratio=0.309
Memory used: 29 MB  Time elapsed: 31 s

 ***** [NRG] Iteration 97/106 (scale 2.5627412030519341e-15) ***** 
[1] xi(96)=1 zeta(97)=0
Stats: nr=34 min=1 max=248 sum3=64014122
Emax=10.5260694516 nrkept=498 nrkeptmult=1142 
Total energy=-2.88539008173  Egs=-1.60303120667
Kept: 498 out of 2150, ratio=0.232
Memory used: 30 MB  Time elapsed: 31 s

 ***** [NRG] Iteration 98/106 (scale 1.8121316831041935e-15) ***** 
[1] xi(97)=1 zeta(98)=0
Stats: nr=33 min=1 max=246 sum3=42402345
Safeguard: keep additional 7 states
Emax=10.8376342515 nrkept=574 nrkeptmult=1336 
Total energy=-2.88539008173  Egs=-0.801983151543
Kept: 574 out of 1857, ratio=0.309
Memory used: 30 MB  Time elapsed: 32 s

 ***** [NRG] Iteration 99/106 (scale 1.2813706015259671e-15) ***** 
[1] xi(98)=1 zeta(99)=0
Stats: nr=34 min=1 max=248 sum3=64014122
Emax=10.5260694516 nrkept=498 nrkeptmult=1142 
Total energy=-2.88539008173  Egs=-1.60303120667
Kept: 498 out of 2150, ratio=0.232
Memory used: 31 MB  Time elapsed: 32 s

 ***** [NRG] Iteration 100/106 (scale 9.0606584155209676e-16) ***** 
[1] xi(99)=1 zeta(100)=0
Stats: nr=33 min=1 max=246 sum3=42402345
Safeguard: keep additional 7 states
Emax=10.8376342515 nrkept=574 nrkeptmult=1336 
Total energy=-2.88539008173  Egs=-0.801983151543
Kept: 574 out of 1857, ratio=0.309
Memory used: 30 MB  Time elapsed: 32 s

 ***** [NRG] Iteration 101/106 (scale 6.4068530076298353e-16) ***** 
[1] xi(100)=1 zeta(101)=0
Stats: nr=34 min=1 max=248 sum3=64014122
Emax=10.5260694516 nrkept=498 nrkeptmult=1142 
Total energy=-2.88539008173  Egs=-1.60303120667
Kept: 498 out of 2150, ratio=0.232
Memory used: 30 MB  Time elapsed: 33 s

 ***** [NRG] Iteration 102/106 (scale 4.5303292077604838e-16) ***** 
[1] xi(101)=1 zeta(102)=0
Stats: nr=33 min=1 max=246 sum3=42402345
Safeguard: keep additional 7 states
Emax=10.8376342515 nrkept=574 nrkeptmult=1336 
Total energy=-2.88539008173  Egs=-0.801983151543
Kept: 574 out of 1857, ratio=0.309
Memory used: 30 MB  Time elapsed: 33 s

 ***** [NRG] Iteration 103/106 (scale 3.2034265038149176e-16) ***** 
[1] xi(102)=1 zeta(103)=0
Stats: nr=34 min=1 max=248 sum3=64014122
Emax=10.5260694516 nrkept=498 nrkeptmult=1142 
Total energy=-2.88539008173  Egs=-1.60303120667
Kept: 498 out of 2150, ratio=0.232
Memory used: 31 MB  Time elapsed: 33 s

 ***** [NRG] Iteration 104/106 (scale 2.2651646038802419e-16) ***** 
[1] xi(103)=1 zeta(104)=0
Stats: nr=33 min=1 max=246 sum3=42402345
Safeguard: keep additional 7 states
Emax=10.8376342515 nrkept=574 nrkeptmult=1336 
Total energy=-2.88539008173  Egs=-0.801983151543
Kept: 574 out of 1857, ratio=0.309
Memory used: 31 MB  Time elapsed: 33 s

 ***** [NRG] Iteration 105/106 (scale 1.6017132519074588e-16) ***** 
[1] xi(104)=1 zeta(105)=0
Stats: nr=34 min=1 max=248 sum3=64014122
Emax=10.5260694516 nrkept=498 nrkeptmult=1142 
Total energy=-2.88539008173  Egs=-1.60303120667
Kept: 498 out of 2150, ratio=0.232
Memory used: 31 MB  Time elapsed: 34 s

 ***** [NRG] Iteration 106/106 (scale 1.1325823019401209e-16) ***** 
[1] xi(105)=1 zeta(106)=0
Stats: nr=33 min=1 max=246 sum3=42402345
Safeguard: keep additional 7 states
Emax=10.8376342515 nrkept=574 nrkeptmult=1336 
Total energy=-2.88539008173  Egs=-0.801983151543
Kept: 574 out of 1857, ratio=0.309
Memory used: 30 MB  Time elapsed: 34 s

** Iteration completed.


Total energy:             -2.885390081725378
TKW=0
Grand canonical Z=              49.10590095693003
Zft (last shell)=                13.4181454295695

Memory usage report
===================
  after diag: 32852 kB
after recalc: 32344 kB
 after split: 33132 kB
  after trim: 32344 kB
 after trunc: 32904 kB
      diag_h: 32852 kB

Peak usage: 33132 kB

Timing report
=============
         All: 34 s
        diag: 28 s
    recalc f: 0 s
       Other: 6 s
