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=107
TEMPERATURE T=1.13258230194e-16
Nmax=107
Tmin=1e-16
Ninit=0
Lambda=2
strategy=kept
lastall=0
lastalloverride=0
z=0.5
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=	0.5
>>  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=0.5
# keep=10000 keepenergy=10 Nmax=107 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 1/107 (scale 1.0201394465967895) ***** 
[1] xi(0)=0.583569837945 zeta(1)=0
Stats: nr=6 min=1 max=3 sum3=46
Emax=2.33427935178 nrkept=10 nrkeptmult=16 
Total energy=-1.19064522306  Egs=-1.16713967589
Kept: 10 out of 10, ratio=1
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 2/107 (scale 0.72134752044448169) ***** 
[1] xi(1)=0.776754544846 zeta(2)=0
Stats: nr=10 min=1 max=8 sum3=1055
Emax=4.53335219802 nrkept=35 nrkeptmult=64 
Total energy=-1.63506118367  Egs=-0.616091340183
Kept: 35 out of 35, ratio=1
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 3/107 (scale 0.51006972329839473) ***** 
[1] xi(2)=0.992903283056 zeta(3)=0
Stats: nr=15 min=1 max=20 sum3=30066
Emax=9.6932808319 nrkept=126 nrkeptmult=256 
Total energy=-2.47212453589  Egs=-1.64107633522
Kept: 126 out of 126, ratio=1
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 4/107 (scale 0.36067376022224085) ***** 
[1] xi(3)=1.04266411315 zeta(4)=0
Stats: nr=21 min=1 max=75 sum3=1007202
Safeguard: keep additional 2 states
Emax=10.2096036311 nrkept=341 nrkeptmult=764 
Total energy=-2.77667889457  Egs=-0.844403980181
Kept: 341 out of 462, ratio=0.738
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 5/107 (scale 0.25503486164919736) ***** 
[1] xi(4)=1.01328740971 zeta(5)=0
Stats: nr=28 min=1 max=152 sum3=14303912
Safeguard: keep additional 7 states
Emax=10.1979545681 nrkept=513 nrkeptmult=1187 
Total energy=-3.18811200374  Egs=-1.61324262303
Kept: 513 out of 1268, ratio=0.405
Memory used: 8 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 6/107 (scale 0.18033688011112042) ***** 
[1] xi(5)=0.999788616061 zeta(6)=0
Stats: nr=33 min=1 max=245 sum3=43470795
Safeguard: keep additional 4 states
Emax=10.2369692127 nrkept=571 nrkeptmult=1328 
Total energy=-3.33226309442  Egs=-0.799343376624
Kept: 571 out of 1911, ratio=0.299
Memory used: 13 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 7/107 (scale 0.12751743082459868) ***** 
[1] xi(6)=0.998344002082 zeta(7)=0
Stats: nr=34 min=1 max=244 sum3=61638168
Safeguard: keep additional 23 states
Emax=10.523605937 nrkept=547 nrkeptmult=1273 
Total energy=-3.53652335674  Egs=-1.60182228423
Kept: 547 out of 2136, ratio=0.256
Memory used: 15 MB  Time elapsed: 1 s

 ***** [NRG] Iteration 8/107 (scale 0.090168440055560212) ***** 
[1] xi(7)=0.998902918682 zeta(8)=0
Stats: nr=33 min=1 max=265 sum3=54172938
Safeguard: keep additional 7 states
Emax=10.2371444538 nrkept=574 nrkeptmult=1336 
Total energy=-3.6087129146  Egs=-0.800607815907
Kept: 574 out of 2046, ratio=0.281
Memory used: 16 MB  Time elapsed: 1 s

 ***** [NRG] Iteration 9/107 (scale 0.063758715412299341) ***** 
[1] xi(8)=0.999398551363 zeta(9)=0
Stats: nr=34 min=1 max=248 sum3=64014122
Emax=10.5268127264 nrkept=498 nrkeptmult=1142 
Total energy=-3.71089271681  Egs=-1.60260133147
Kept: 498 out of 2150, ratio=0.232
Memory used: 17 MB  Time elapsed: 1 s

 ***** [NRG] Iteration 10/107 (scale 0.045084220027780106) ***** 
[1] xi(9)=0.99968731683 zeta(10)=0
Stats: nr=33 min=1 max=246 sum3=42402345
Safeguard: keep additional 7 states
Emax=10.8379107273 nrkept=574 nrkeptmult=1336 
Total energy=-3.74703269266  Egs=-0.80161031569
Kept: 574 out of 1857, ratio=0.309
Memory used: 17 MB  Time elapsed: 2 s

 ***** [NRG] Iteration 11/107 (scale 0.031879357706149671) ***** 
[1] xi(10)=0.9998407918 zeta(11)=0
Stats: nr=34 min=1 max=248 sum3=64014122
Emax=10.5262543102 nrkept=498 nrkeptmult=1142 
Total energy=-3.79813266381  Egs=-1.60291721134
Kept: 498 out of 2150, ratio=0.232
Memory used: 19 MB  Time elapsed: 2 s

 ***** [NRG] Iteration 12/107 (scale 0.022542110013890053) ***** 
[1] xi(11)=0.99991969299 zeta(12)=0
Stats: nr=33 min=1 max=246 sum3=42402345
Safeguard: keep additional 7 states
Emax=10.83770387 nrkept=574 nrkeptmult=1336 
Total energy=-3.81620891746  Egs=-0.801888271977
Kept: 574 out of 1857, ratio=0.309
Memory used: 19 MB  Time elapsed: 2 s

 ***** [NRG] Iteration 13/107 (scale 0.015939678853074835) ***** 
[1] xi(12)=0.999959672404 zeta(13)=0
Stats: nr=34 min=1 max=248 sum3=64014122
Emax=10.5261158266 nrkept=498 nrkeptmult=1142 
Total energy=-3.84176025956  Egs=-1.60300231495
Kept: 498 out of 2150, ratio=0.232
Memory used: 20 MB  Time elapsed: 3 s

 ***** [NRG] Iteration 14/107 (scale 0.011271055006945026) ***** 
[1] xi(13)=0.999979792879 zeta(14)=0
Stats: nr=33 min=1 max=246 sum3=42402345
Safeguard: keep additional 7 states
Emax=10.8376516869 nrkept=574 nrkeptmult=1336 
Total energy=-3.85079918727  Egs=-0.801959329109
Kept: 574 out of 1857, ratio=0.309
Memory used: 21 MB  Time elapsed: 3 s

 ***** [NRG] Iteration 15/107 (scale 0.0079698394265374176) ***** 
[1] xi(14)=0.999989885634 zeta(15)=0
Stats: nr=34 min=1 max=248 sum3=64014122
Emax=10.5260810546 nrkept=498 nrkeptmult=1142 
Total energy=-3.86357503082  Egs=-1.60302395937
Kept: 498 out of 2150, ratio=0.232
Memory used: 21 MB  Time elapsed: 4 s

 ***** [NRG] Iteration 16/107 (scale 0.0056355275034725132) ***** 
[1] xi(15)=0.999994940118 zeta(16)=0
Stats: nr=33 min=1 max=246 sum3=42402345
Safeguard: keep additional 7 states
Emax=10.8376386117 nrkept=574 nrkeptmult=1336 
Total energy=-3.86809459533  Egs=-0.80197718957
Kept: 574 out of 1857, ratio=0.309
Memory used: 21 MB  Time elapsed: 4 s

 ***** [NRG] Iteration 17/107 (scale 0.0039849197132687088) ***** 
[1] xi(16)=0.999997469385 zeta(17)=0
Stats: nr=34 min=1 max=248 sum3=64014122
Emax=10.5260723526 nrkept=498 nrkeptmult=1142 
Total energy=-3.87448253876  Egs=-1.60302939331
Kept: 498 out of 2150, ratio=0.232
Memory used: 22 MB  Time elapsed: 5 s

 ***** [NRG] Iteration 18/107 (scale 0.0028177637517362566) ***** 
[1] xi(17)=0.999998734524 zeta(18)=0
Stats: nr=33 min=1 max=246 sum3=42402345
Safeguard: keep additional 7 states
Emax=10.8376353414 nrkept=574 nrkeptmult=1336 
Total energy=-3.87674233361  Egs=-0.80198166066
Kept: 574 out of 1857, ratio=0.309
Memory used: 22 MB  Time elapsed: 5 s

 ***** [NRG] Iteration 19/107 (scale 0.0019924598566343544) ***** 
[1] xi(18)=0.99999936722 zeta(19)=0
Stats: nr=34 min=1 max=248 sum3=64014122
Emax=10.5260701767 nrkept=498 nrkeptmult=1142 
Total energy=-3.87993630804  Egs=-1.60303075323
Kept: 498 out of 2150, ratio=0.232
Memory used: 22 MB  Time elapsed: 5 s

 ***** [NRG] Iteration 20/107 (scale 0.0014088818758681283) ***** 
[1] xi(19)=0.999999683599 zeta(20)=0
Stats: nr=33 min=1 max=246 sum3=42402345
Safeguard: keep additional 7 states
Emax=10.8376345238 nrkept=574 nrkeptmult=1336 
Total energy=-3.88106620704  Egs=-0.801982778802
Kept: 574 out of 1857, ratio=0.309
Memory used: 22 MB  Time elapsed: 6 s

 ***** [NRG] Iteration 21/107 (scale 0.0009962299283171772) ***** 
[1] xi(20)=0.999999841797 zeta(21)=0
Stats: nr=34 min=1 max=248 sum3=64014122
Emax=10.5260696328 nrkept=498 nrkeptmult=1142 
Total energy=-3.88266319459  Egs=-1.6030310933
Kept: 498 out of 2150, ratio=0.232
Memory used: 22 MB  Time elapsed: 6 s

 ***** [NRG] Iteration 22/107 (scale 0.00070444093793406415) ***** 
[1] xi(21)=0.999999920898 zeta(22)=0
Stats: nr=33 min=1 max=246 sum3=42402345
Safeguard: keep additional 7 states
Emax=10.8376343195 nrkept=574 nrkeptmult=1336 
Total energy=-3.88322814429  Egs=-0.801983058358
Kept: 574 out of 1857, ratio=0.309
Memory used: 22 MB  Time elapsed: 6 s

 ***** [NRG] Iteration 23/107 (scale 0.0004981149641585886) ***** 
[1] xi(22)=0.999999960449 zeta(23)=0
Stats: nr=34 min=1 max=248 sum3=64014122
Emax=10.5260694969 nrkept=498 nrkeptmult=1142 
Total energy=-3.88402663811  Egs=-1.60303117833
Kept: 498 out of 2150, ratio=0.232
Memory used: 23 MB  Time elapsed: 7 s

 ***** [NRG] Iteration 24/107 (scale 0.00035222046896703208) ***** 
[1] xi(23)=0.999999980224 zeta(24)=0
Stats: nr=33 min=1 max=246 sum3=42402345
Safeguard: keep additional 7 states
Emax=10.8376342685 nrkept=574 nrkeptmult=1336 
Total energy=-3.88430911298  Egs=-0.801983128248
Kept: 574 out of 1857, ratio=0.309
Memory used: 22 MB  Time elapsed: 7 s

 ***** [NRG] Iteration 25/107 (scale 0.0002490574820792943) ***** 
[1] xi(24)=0.999999990112 zeta(25)=0
Stats: nr=34 min=1 max=248 sum3=64014122
Emax=10.5260694629 nrkept=498 nrkeptmult=1142 
Total energy=-3.8847083599  Egs=-1.60303119958
Kept: 498 out of 2150, ratio=0.232
Memory used: 23 MB  Time elapsed: 7 s

 ***** [NRG] Iteration 26/107 (scale 0.00017611023448351604) ***** 
[1] xi(25)=0.999999995056 zeta(26)=0
Stats: nr=33 min=1 max=246 sum3=42402345
Safeguard: keep additional 7 states
Emax=10.8376342557 nrkept=574 nrkeptmult=1336 
Total energy=-3.88484959734  Egs=-0.80198314572
Kept: 574 out of 1857, ratio=0.309
Memory used: 23 MB  Time elapsed: 8 s

 ***** [NRG] Iteration 27/107 (scale 0.00012452874103964715) ***** 
[1] xi(26)=0.999999997528 zeta(27)=0
Stats: nr=34 min=1 max=248 sum3=64014122
Emax=10.5260694544 nrkept=498 nrkeptmult=1142 
Total energy=-3.88504922079  Egs=-1.6030312049
Kept: 498 out of 2150, ratio=0.232
Memory used: 23 MB  Time elapsed: 8 s

 ***** [NRG] Iteration 28/107 (scale 8.8055117241758019e-05) ***** 
[1] xi(27)=0.999999998764 zeta(28)=0
Stats: nr=33 min=1 max=246 sum3=42402345
Safeguard: keep additional 7 states
Emax=10.8376342526 nrkept=574 nrkeptmult=1336 
Total energy=-3.88511983951  Egs=-0.801983150087
Kept: 574 out of 1857, ratio=0.309
Memory used: 24 MB  Time elapsed: 8 s

 ***** [NRG] Iteration 29/107 (scale 6.2264370519823575e-05) ***** 
[1] xi(28)=0.999999999382 zeta(29)=0
Stats: nr=34 min=1 max=248 sum3=64014122
Emax=10.5260694523 nrkept=498 nrkeptmult=1142 
Total energy=-3.88521965124  Egs=-1.60303120623
Kept: 498 out of 2150, ratio=0.232
Memory used: 25 MB  Time elapsed: 9 s

 ***** [NRG] Iteration 30/107 (scale 4.402755862087901e-05) ***** 
[1] xi(29)=0.999999999691 zeta(30)=0
Stats: nr=33 min=1 max=246 sum3=42402345
Safeguard: keep additional 7 states
Emax=10.8376342518 nrkept=574 nrkeptmult=1336 
Total energy=-3.8852549606  Egs=-0.801983151179
Kept: 574 out of 1857, ratio=0.309
Memory used: 24 MB  Time elapsed: 9 s

 ***** [NRG] Iteration 31/107 (scale 3.1132185259911788e-05) ***** 
[1] xi(30)=0.999999999846 zeta(31)=0
Stats: nr=34 min=1 max=248 sum3=64014122
Emax=10.5260694518 nrkept=498 nrkeptmult=1142 
Total energy=-3.88530486647  Egs=-1.60303120656
Kept: 498 out of 2150, ratio=0.232
Memory used: 25 MB  Time elapsed: 9 s

 ***** [NRG] Iteration 32/107 (scale 2.2013779310439505e-05) ***** 
[1] xi(31)=0.999999999923 zeta(32)=0
Stats: nr=33 min=1 max=246 sum3=42402345
Safeguard: keep additional 7 states
Emax=10.8376342516 nrkept=574 nrkeptmult=1336 
Total energy=-3.88532252115  Egs=-0.801983151452
Kept: 574 out of 1857, ratio=0.309
Memory used: 24 MB  Time elapsed: 10 s

 ***** [NRG] Iteration 33/107 (scale 1.5566092629955894e-05) ***** 
[1] xi(32)=0.999999999961 zeta(33)=0
Stats: nr=34 min=1 max=248 sum3=64014122
Emax=10.5260694517 nrkept=498 nrkeptmult=1142 
Total energy=-3.88534747408  Egs=-1.60303120664
Kept: 498 out of 2150, ratio=0.232
Memory used: 25 MB  Time elapsed: 10 s

 ***** [NRG] Iteration 34/107 (scale 1.1006889655219752e-05) ***** 
[1] xi(33)=0.999999999981 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=-3.88535630142  Egs=-0.80198315152
Kept: 574 out of 1857, ratio=0.309
Memory used: 24 MB  Time elapsed: 10 s

 ***** [NRG] Iteration 35/107 (scale 7.7830463149779469e-06) ***** 
[1] xi(34)=0.99999999999 zeta(35)=0
Stats: nr=34 min=1 max=248 sum3=64014122
Emax=10.5260694516 nrkept=498 nrkeptmult=1142 
Total energy=-3.88536877789  Egs=-1.60303120666
Kept: 498 out of 2150, ratio=0.232
Memory used: 25 MB  Time elapsed: 11 s

 ***** [NRG] Iteration 36/107 (scale 5.5034448276098762e-06) ***** 
[1] xi(35)=0.999999999995 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=-3.88537319156  Egs=-0.801983151537
Kept: 574 out of 1857, ratio=0.309
Memory used: 25 MB  Time elapsed: 11 s

 ***** [NRG] Iteration 37/107 (scale 3.8915231574889735e-06) ***** 
[1] xi(36)=0.999999999998 zeta(37)=0
Stats: nr=34 min=1 max=248 sum3=64014122
Emax=10.5260694516 nrkept=498 nrkeptmult=1142 
Total energy=-3.88537942979  Egs=-1.60303120667
Kept: 498 out of 2150, ratio=0.232
Memory used: 26 MB  Time elapsed: 12 s

 ***** [NRG] Iteration 38/107 (scale 2.7517224138049381e-06) ***** 
[1] xi(37)=0.999999999999 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=-3.88538163662  Egs=-0.801983151541
Kept: 574 out of 1857, ratio=0.309
Memory used: 25 MB  Time elapsed: 12 s

 ***** [NRG] Iteration 39/107 (scale 1.9457615787444867e-06) ***** 
[1] xi(38)=0.999999999999 zeta(39)=0
Stats: nr=34 min=1 max=248 sum3=64014122
Emax=10.5260694516 nrkept=498 nrkeptmult=1142 
Total energy=-3.88538475574  Egs=-1.60303120667
Kept: 498 out of 2150, ratio=0.232
Memory used: 26 MB  Time elapsed: 12 s

 ***** [NRG] Iteration 40/107 (scale 1.3758612069024691e-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=-3.88538585916  Egs=-0.801983151542
Kept: 574 out of 1857, ratio=0.309
Memory used: 26 MB  Time elapsed: 13 s

 ***** [NRG] Iteration 41/107 (scale 9.7288078937224336e-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=-3.88538741872  Egs=-1.60303120667
Kept: 498 out of 2150, ratio=0.232
Memory used: 27 MB  Time elapsed: 13 s

 ***** [NRG] Iteration 42/107 (scale 6.8793060345123453e-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=-3.88538797043  Egs=-0.801983151543
Kept: 574 out of 1857, ratio=0.309
Memory used: 26 MB  Time elapsed: 13 s

 ***** [NRG] Iteration 43/107 (scale 4.8644039468612168e-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=-3.8853887502  Egs=-1.60303120667
Kept: 498 out of 2150, ratio=0.232
Memory used: 26 MB  Time elapsed: 14 s

 ***** [NRG] Iteration 44/107 (scale 3.4396530172561726e-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=-3.88538902606  Egs=-0.801983151543
Kept: 574 out of 1857, ratio=0.309
Memory used: 26 MB  Time elapsed: 14 s

 ***** [NRG] Iteration 45/107 (scale 2.4322019734306084e-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=-3.88538941595  Egs=-1.60303120667
Kept: 498 out of 2150, ratio=0.232
Memory used: 26 MB  Time elapsed: 14 s

 ***** [NRG] Iteration 46/107 (scale 1.7198265086280863e-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=-3.88538955388  Egs=-0.801983151543
Kept: 574 out of 1857, ratio=0.309
Memory used: 27 MB  Time elapsed: 15 s

 ***** [NRG] Iteration 47/107 (scale 1.2161009867153042e-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=-3.88538974882  Egs=-1.60303120667
Kept: 498 out of 2150, ratio=0.232
Memory used: 27 MB  Time elapsed: 15 s

 ***** [NRG] Iteration 48/107 (scale 8.5991325431404316e-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=-3.88538981778  Egs=-0.801983151543
Kept: 574 out of 1857, ratio=0.309
Memory used: 26 MB  Time elapsed: 15 s

 ***** [NRG] Iteration 49/107 (scale 6.080504933576521e-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=-3.88538991526  Egs=-1.60303120667
Kept: 498 out of 2150, ratio=0.232
Memory used: 27 MB  Time elapsed: 16 s

 ***** [NRG] Iteration 50/107 (scale 4.2995662715702158e-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=-3.88538994974  Egs=-0.801983151543
Kept: 574 out of 1857, ratio=0.309
Memory used: 27 MB  Time elapsed: 16 s

 ***** [NRG] Iteration 51/107 (scale 3.0402524667882605e-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=-3.88538999847  Egs=-1.60303120667
Kept: 498 out of 2150, ratio=0.232
Memory used: 27 MB  Time elapsed: 16 s

 ***** [NRG] Iteration 52/107 (scale 2.1497831357851079e-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=-3.88539001572  Egs=-0.801983151543
Kept: 574 out of 1857, ratio=0.309
Memory used: 27 MB  Time elapsed: 17 s

 ***** [NRG] Iteration 53/107 (scale 1.5201262333941303e-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=-3.88539004008  Egs=-1.60303120667
Kept: 498 out of 2150, ratio=0.232
Memory used: 27 MB  Time elapsed: 17 s

 ***** [NRG] Iteration 54/107 (scale 1.0748915678925539e-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=-3.8853900487  Egs=-0.801983151543
Kept: 574 out of 1857, ratio=0.309
Memory used: 27 MB  Time elapsed: 17 s

 ***** [NRG] Iteration 55/107 (scale 7.6006311669706513e-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=-3.88539006089  Egs=-1.60303120667
Kept: 498 out of 2150, ratio=0.232
Memory used: 27 MB  Time elapsed: 18 s

 ***** [NRG] Iteration 56/107 (scale 5.3744578394627697e-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=-3.8853900652  Egs=-0.801983151543
Kept: 574 out of 1857, ratio=0.309
Memory used: 27 MB  Time elapsed: 18 s

 ***** [NRG] Iteration 57/107 (scale 3.8003155834853256e-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=-3.88539007129  Egs=-1.60303120667
Kept: 498 out of 2150, ratio=0.232
Memory used: 27 MB  Time elapsed: 18 s

 ***** [NRG] Iteration 58/107 (scale 2.6872289197313849e-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=-3.88539007345  Egs=-0.801983151543
Kept: 574 out of 1857, ratio=0.309
Memory used: 27 MB  Time elapsed: 19 s

 ***** [NRG] Iteration 59/107 (scale 1.9001577917426628e-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=-3.88539007649  Egs=-1.60303120667
Kept: 498 out of 2150, ratio=0.232
Memory used: 28 MB  Time elapsed: 19 s

 ***** [NRG] Iteration 60/107 (scale 1.3436144598656924e-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=-3.88539007757  Egs=-0.801983151543
Kept: 574 out of 1857, ratio=0.309
Memory used: 27 MB  Time elapsed: 19 s

 ***** [NRG] Iteration 61/107 (scale 9.5007889587133141e-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=-3.88539007909  Egs=-1.60303120667
Kept: 498 out of 2150, ratio=0.232
Memory used: 28 MB  Time elapsed: 20 s

 ***** [NRG] Iteration 62/107 (scale 6.7180722993284622e-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=-3.88539007963  Egs=-0.801983151543
Kept: 574 out of 1857, ratio=0.309
Memory used: 28 MB  Time elapsed: 20 s

 ***** [NRG] Iteration 63/107 (scale 4.750394479356657e-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=-3.88539008039  Egs=-1.60303120667
Kept: 498 out of 2150, ratio=0.232
Memory used: 28 MB  Time elapsed: 20 s

 ***** [NRG] Iteration 64/107 (scale 3.3590361496642311e-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=-3.88539008066  Egs=-0.801983151543
Kept: 574 out of 1857, ratio=0.309
Memory used: 27 MB  Time elapsed: 21 s

 ***** [NRG] Iteration 65/107 (scale 2.3751972396783285e-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=-3.88539008104  Egs=-1.60303120667
Kept: 498 out of 2150, ratio=0.232
Memory used: 28 MB  Time elapsed: 21 s

 ***** [NRG] Iteration 66/107 (scale 1.6795180748321155e-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=-3.88539008118  Egs=-0.801983151543
Kept: 574 out of 1857, ratio=0.309
Memory used: 28 MB  Time elapsed: 21 s

 ***** [NRG] Iteration 67/107 (scale 1.1875986198391643e-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=-3.88539008137  Egs=-1.60303120667
Kept: 498 out of 2150, ratio=0.232
Memory used: 28 MB  Time elapsed: 22 s

 ***** [NRG] Iteration 68/107 (scale 8.3975903741605777e-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=-3.88539008143  Egs=-0.801983151543
Kept: 574 out of 1857, ratio=0.309
Memory used: 28 MB  Time elapsed: 22 s

 ***** [NRG] Iteration 69/107 (scale 5.9379930991958213e-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=-3.88539008153  Egs=-1.60303120667
Kept: 498 out of 2150, ratio=0.232
Memory used: 28 MB  Time elapsed: 22 s

 ***** [NRG] Iteration 70/107 (scale 4.1987951870802889e-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=-3.88539008156  Egs=-0.801983151543
Kept: 574 out of 1857, ratio=0.309
Memory used: 28 MB  Time elapsed: 23 s

 ***** [NRG] Iteration 71/107 (scale 2.9689965495979107e-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=-3.88539008161  Egs=-1.60303120667
Kept: 498 out of 2150, ratio=0.232
Memory used: 28 MB  Time elapsed: 23 s

 ***** [NRG] Iteration 72/107 (scale 2.0993975935401444e-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=-3.88539008163  Egs=-0.801983151543
Kept: 574 out of 1857, ratio=0.309
Memory used: 27 MB  Time elapsed: 23 s

 ***** [NRG] Iteration 73/107 (scale 1.4844982747989553e-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=-3.88539008165  Egs=-1.60303120667
Kept: 498 out of 2150, ratio=0.232
Memory used: 29 MB  Time elapsed: 24 s

 ***** [NRG] Iteration 74/107 (scale 1.0496987967700722e-11) ***** 
[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=-3.88539008166  Egs=-0.801983151543
Kept: 574 out of 1857, ratio=0.309
Memory used: 28 MB  Time elapsed: 24 s

 ***** [NRG] Iteration 75/107 (scale 7.4224913739947766e-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=-3.88539008167  Egs=-1.60303120667
Kept: 498 out of 2150, ratio=0.232
Memory used: 29 MB  Time elapsed: 24 s

 ***** [NRG] Iteration 76/107 (scale 5.2484939838503611e-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=-3.88539008168  Egs=-0.801983151543
Kept: 574 out of 1857, ratio=0.309
Memory used: 28 MB  Time elapsed: 25 s

 ***** [NRG] Iteration 77/107 (scale 3.7112456869973883e-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=-3.88539008168  Egs=-1.60303120667
Kept: 498 out of 2150, ratio=0.232
Memory used: 29 MB  Time elapsed: 25 s

 ***** [NRG] Iteration 78/107 (scale 2.6242469919251805e-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=-3.88539008168  Egs=-0.801983151543
Kept: 574 out of 1857, ratio=0.309
Memory used: 28 MB  Time elapsed: 25 s

 ***** [NRG] Iteration 79/107 (scale 1.8556228434986942e-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=-3.88539008169  Egs=-1.60303120667
Kept: 498 out of 2150, ratio=0.232
Memory used: 29 MB  Time elapsed: 26 s

 ***** [NRG] Iteration 80/107 (scale 1.3121234959625903e-12) ***** 
[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=-3.88539008169  Egs=-0.801983151543
Kept: 574 out of 1857, ratio=0.309
Memory used: 28 MB  Time elapsed: 26 s

 ***** [NRG] Iteration 81/107 (scale 9.2781142174934708e-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=-3.88539008169  Egs=-1.60303120667
Kept: 498 out of 2150, ratio=0.232
Memory used: 29 MB  Time elapsed: 26 s

 ***** [NRG] Iteration 82/107 (scale 6.5606174798129513e-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=-3.88539008169  Egs=-0.801983151543
Kept: 574 out of 1857, ratio=0.309
Memory used: 28 MB  Time elapsed: 27 s

 ***** [NRG] Iteration 83/107 (scale 4.6390571087467354e-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=-3.88539008169  Egs=-1.60303120667
Kept: 498 out of 2150, ratio=0.232
Memory used: 29 MB  Time elapsed: 27 s

 ***** [NRG] Iteration 84/107 (scale 3.2803087399064757e-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=-3.88539008169  Egs=-0.801983151543
Kept: 574 out of 1857, ratio=0.309
Memory used: 29 MB  Time elapsed: 27 s

 ***** [NRG] Iteration 85/107 (scale 2.3195285543733677e-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=-3.88539008169  Egs=-1.60303120667
Kept: 498 out of 2150, ratio=0.232
Memory used: 29 MB  Time elapsed: 28 s

 ***** [NRG] Iteration 86/107 (scale 1.6401543699532378e-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=-3.88539008169  Egs=-0.801983151543
Kept: 574 out of 1857, ratio=0.309
Memory used: 28 MB  Time elapsed: 28 s

 ***** [NRG] Iteration 87/107 (scale 1.1597642771866838e-13) ***** 
[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=-3.88539008169  Egs=-1.60303120667
Kept: 498 out of 2150, ratio=0.232
Memory used: 29 MB  Time elapsed: 29 s

 ***** [NRG] Iteration 88/107 (scale 8.2007718497661892e-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=-3.88539008169  Egs=-0.801983151543
Kept: 574 out of 1857, ratio=0.309
Memory used: 29 MB  Time elapsed: 29 s

 ***** [NRG] Iteration 89/107 (scale 5.7988213859334192e-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=-3.88539008169  Egs=-1.60303120667
Kept: 498 out of 2150, ratio=0.232
Memory used: 29 MB  Time elapsed: 29 s

 ***** [NRG] Iteration 90/107 (scale 4.1003859248830946e-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=-3.88539008169  Egs=-0.801983151543
Kept: 574 out of 1857, ratio=0.309
Memory used: 29 MB  Time elapsed: 30 s

 ***** [NRG] Iteration 91/107 (scale 2.8994106929667096e-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=-3.88539008169  Egs=-1.60303120667
Kept: 498 out of 2150, ratio=0.232
Memory used: 30 MB  Time elapsed: 30 s

 ***** [NRG] Iteration 92/107 (scale 2.0501929624415473e-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=-3.88539008169  Egs=-0.801983151543
Kept: 574 out of 1857, ratio=0.309
Memory used: 29 MB  Time elapsed: 30 s

 ***** [NRG] Iteration 93/107 (scale 1.4497053464833548e-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=-3.88539008169  Egs=-1.60303120667
Kept: 498 out of 2150, ratio=0.232
Memory used: 29 MB  Time elapsed: 31 s

 ***** [NRG] Iteration 94/107 (scale 1.0250964812207736e-14) ***** 
[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=-3.88539008169  Egs=-0.801983151543
Kept: 574 out of 1857, ratio=0.309
Memory used: 29 MB  Time elapsed: 31 s

 ***** [NRG] Iteration 95/107 (scale 7.2485267324167741e-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=-3.88539008169  Egs=-1.60303120667
Kept: 498 out of 2150, ratio=0.232
Memory used: 30 MB  Time elapsed: 31 s

 ***** [NRG] Iteration 96/107 (scale 5.1254824061038682e-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=-3.88539008169  Egs=-0.801983151543
Kept: 574 out of 1857, ratio=0.309
Memory used: 29 MB  Time elapsed: 32 s

 ***** [NRG] Iteration 97/107 (scale 3.624263366208387e-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=-3.88539008169  Egs=-1.60303120667
Kept: 498 out of 2150, ratio=0.232
Memory used: 30 MB  Time elapsed: 32 s

 ***** [NRG] Iteration 98/107 (scale 2.5627412030519341e-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=-3.88539008169  Egs=-0.801983151543
Kept: 574 out of 1857, ratio=0.309
Memory used: 29 MB  Time elapsed: 32 s

 ***** [NRG] Iteration 99/107 (scale 1.8121316831041935e-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=-3.88539008169  Egs=-1.60303120667
Kept: 498 out of 2150, ratio=0.232
Memory used: 30 MB  Time elapsed: 33 s

 ***** [NRG] Iteration 100/107 (scale 1.2813706015259671e-15) ***** 
[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=-3.88539008169  Egs=-0.801983151543
Kept: 574 out of 1857, ratio=0.309
Memory used: 29 MB  Time elapsed: 33 s

 ***** [NRG] Iteration 101/107 (scale 9.0606584155209676e-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=-3.88539008169  Egs=-1.60303120667
Kept: 498 out of 2150, ratio=0.232
Memory used: 30 MB  Time elapsed: 33 s

 ***** [NRG] Iteration 102/107 (scale 6.4068530076298353e-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=-3.88539008169  Egs=-0.801983151543
Kept: 574 out of 1857, ratio=0.309
Memory used: 29 MB  Time elapsed: 34 s

 ***** [NRG] Iteration 103/107 (scale 4.5303292077604838e-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=-3.88539008169  Egs=-1.60303120667
Kept: 498 out of 2150, ratio=0.232
Memory used: 30 MB  Time elapsed: 34 s

 ***** [NRG] Iteration 104/107 (scale 3.2034265038149176e-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=-3.88539008169  Egs=-0.801983151543
Kept: 574 out of 1857, ratio=0.309
Memory used: 30 MB  Time elapsed: 35 s

 ***** [NRG] Iteration 105/107 (scale 2.2651646038802419e-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=-3.88539008169  Egs=-1.60303120667
Kept: 498 out of 2150, ratio=0.232
Memory used: 30 MB  Time elapsed: 35 s

 ***** [NRG] Iteration 106/107 (scale 1.6017132519074588e-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=-3.88539008169  Egs=-0.801983151543
Kept: 574 out of 1857, ratio=0.309
Memory used: 30 MB  Time elapsed: 35 s

 ***** [NRG] Iteration 107/107 (scale 1.1325823019401209e-16) ***** 
[1] xi(106)=1 zeta(107)=0
Stats: nr=34 min=1 max=248 sum3=64014122
Emax=10.5260694516 nrkept=498 nrkeptmult=1142 
Total energy=-3.88539008169  Egs=-1.60303120667
Kept: 498 out of 2150, ratio=0.232
Memory used: 30 MB  Time elapsed: 36 s

** Iteration completed.


Total energy:              -3.88539008169225
TKW=0
Grand canonical Z=              68.44949171048978
Zft (last shell)=                9.62395227254758

Memory usage report
===================
  after diag: 32980 kB
after recalc: 31656 kB
 after split: 33036 kB
  after trim: 31656 kB
 after trunc: 33028 kB
      diag_h: 32980 kB

Peak usage: 33036 kB

Timing report
=============
         All: 36 s
        diag: 29 s
    recalc f: 0 s
       Other: 6 s
