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=66
TEMPERATURE T=1.41230072848e-10
Nmax=66
Tmin=1e-10
Ninit=0
Lambda=2
strategy=kept
lastall=0
lastalloverride=0
z=0.75
discretization=Z
band=flat
betabar=1
T=1.41230072848e-10
T_ratio=1
Tmin_ratio=-999
keep=5000
keepenergy=10
keepmin=0
keepblock=0
keepzrescale=0
log=
logall=0
logenumber=10
smooth=old
alpha=0.3
omega0=-1
omega0_ratio=1
brcut=0
loggauss_b=0.3
gauss_b=0.1
limitLL=0
eta=0
finite=0
bins=100
discard_trim=1e-16
discard_immediately=1e-16
NN1=0
NN2even=1
NN2avg=0
NNtanh=0
goodE=2
savebins=0
broaden=1
broaden_max=2.5
broaden_min=-99
broaden_min_ratio=3
broaden_ratio=1.05
dumpenergies=0
saveall=0
dumpannotated=0
dumpscaled=1
dumpabs=0
dumpprecision=8
dumpgroups=1
grouptol=1e-06
dumpdiagonal=0
ops=
specs=
specd=
spect=
specb=
reim=0
trsq=
specgt=
gtp=0.7
speci1t=
speci2t=
speckubo=
kubop=0.7
kubor=4
kubob=2
cond=
specchit=
chitp=1
chitp_ratio=-999
dm=0
T0opt=-1
dmnrg=0
cfs=0
fdm=0
fdmexpv=0
fdmexpvn=0
mats=0
nromegan=100
width_td=12
width_custom=12
prec_td=6
prec_custom=6
prec_xy=6
safeguard=1e-05
safeguardmax=200
fixeps=1e-15
diag=dsyev
diagratio=1
dsyevrlimit=100
restart=1
restartfactor=2
checkdiag=0
checkrho=0
calc0=1
tdht=0
spin=2
tri=old
preccpp=2000
checksumrules=0
showEs=0
globalB=0
globalBx=0
polarized=0
pol2x2=0
mpi=0
saveF=0
trunc=
noimag=1
dumpsubspaces=0
done=0
resume=0
forcestop=-1
stopafter=
removefiles=1
store=one

>>  Input file for NRG Ljubljana, Rok Zitko, rok.zitko@ijs.si, 2005-2012
SYMMETRY TYPE: QS
>>  $Id: initial.m,v 1.1 2012/05/15 09:58:19 rokzitko Exp rokzitko $
>>  Using sneg version 	1.233
>>  Model: 	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=	0.75
>>  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=0.75
# keep=5000 keepenergy=10 Nmax=66 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 1/66 (scale 0.85783160370214839) ***** 
[1] xi(0)=0.684778584642 zeta(1)=0
Stats: nr=6 min=1 max=3 sum3=46
Emax=2.73911433857 nrkept=10 nrkeptmult=16 
Total energy=-1.17484942289  Egs=-1.36955716928
Kept: 10 out of 10, ratio=1
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 2/66 (scale 0.6065785440939202) ***** 
[1] xi(1)=0.833755393818 zeta(2)=0
Stats: nr=10 min=1 max=8 sum3=1055
Emax=5.11154219654 nrkept=35 nrkeptmult=64 
Total energy=-1.55027591183  Egs=-0.618924775024
Kept: 35 out of 35, ratio=1
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 3/66 (scale 0.4289158018510742) ***** 
[1] xi(2)=0.947046165312 zeta(3)=0
Stats: nr=15 min=1 max=20 sum3=30066
Emax=10.3976513681 nrkept=126 nrkeptmult=256 
Total energy=-2.22985848696  Egs=-1.58441953456
Kept: 126 out of 126, ratio=1
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 4/66 (scale 0.3032892720469601) ***** 
[1] xi(3)=0.972572268687 zeta(4)=0
Stats: nr=21 min=1 max=75 sum3=1007202
Safeguard: keep additional 12 states
Emax=10.7258531673 nrkept=351 nrkeptmult=784 
Total energy=-2.46073058373  Egs=-0.761227376117
Kept: 351 out of 462, ratio=0.76
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 5/66 (scale 0.2144579009255371) ***** 
[1] xi(4)=0.980132362648 zeta(5)=0
Stats: nr=28 min=1 max=156 sum3=15524450
Safeguard: keep additional 7 states
Emax=10.4243070354 nrkept=469 nrkeptmult=1095 
Total energy=-2.80145583443  Egs=-1.58877452977
Kept: 469 out of 1304, ratio=0.36
Memory used: 7 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 6/66 (scale 0.15164463602348005) ***** 
[1] xi(5)=0.988164304343 zeta(6)=0
Stats: nr=33 min=1 max=226 sum3=33546668
Safeguard: keep additional 4 states
Emax=10.7021949626 nrkept=571 nrkeptmult=1332 
Total energy=-2.92087120903  Egs=-0.787468503571
Kept: 571 out of 1754, ratio=0.326
Memory used: 11 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 7/66 (scale 0.10722895046276855) ***** 
[1] xi(6)=0.993732382824 zeta(7)=0
Stats: nr=34 min=1 max=246 sum3=62688730
Safeguard: keep additional 1 states
Emax=10.4128683782 nrkept=499 nrkeptmult=1145 
Total energy=-3.09228197503  Egs=-1.59854932143
Kept: 499 out of 2140, ratio=0.233
Memory used: 14 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 8/66 (scale 0.075822318011740025) ***** 
[1] xi(7)=0.996801670793 zeta(8)=0
Stats: nr=33 min=1 max=247 sum3=42902084
Safeguard: keep additional 4 states
Emax=10.8404246936 nrkept=571 nrkeptmult=1332 
Total energy=-3.15280274776  Egs=-0.798192066886
Kept: 571 out of 1862, ratio=0.307
Memory used: 15 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 9/66 (scale 0.053614475231384275) ***** 
[1] xi(8)=0.998386814476 zeta(9)=0
Stats: nr=34 min=1 max=246 sum3=62688730
Emax=10.5279437784 nrkept=498 nrkeptmult=1142 
Total energy=-3.23868650035  Egs=-1.60187621374
Kept: 498 out of 2140, ratio=0.233
Memory used: 17 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 10/66 (scale 0.037911159005870013) ***** 
[1] xi(9)=0.999190082691 zeta(10)=0
Stats: nr=33 min=1 max=246 sum3=42402345
Safeguard: keep additional 7 states
Emax=10.8383341001 nrkept=574 nrkeptmult=1336 
Total energy=-3.26905438715  Egs=-0.801027655247
Kept: 574 out of 1857, ratio=0.309
Memory used: 18 MB  Time elapsed: 1 s

 ***** [NRG] Iteration 11/66 (scale 0.026807237615692137) ***** 
[1] xi(10)=0.999594228576 zeta(11)=0
Stats: nr=34 min=1 max=248 sum3=64014122
Emax=10.5265353105 nrkept=498 nrkeptmult=1142 
Total energy=-3.31201943278  Egs=-1.60274050781
Kept: 498 out of 2150, ratio=0.232
Memory used: 19 MB  Time elapsed: 1 s

 ***** [NRG] Iteration 12/66 (scale 0.018955579502935006) ***** 
[1] xi(11)=0.999796913201 zeta(12)=0
Stats: nr=33 min=1 max=246 sum3=42402345
Safeguard: keep additional 7 states
Emax=10.8378093527 nrkept=574 nrkeptmult=1336 
Total energy=-3.32721695142  Egs=-0.801743815673
Kept: 574 out of 1857, ratio=0.309
Memory used: 20 MB  Time elapsed: 1 s

 ***** [NRG] Iteration 13/66 (scale 0.013403618807846069) ***** 
[1] xi(12)=0.999898406582 zeta(13)=0
Stats: nr=34 min=1 max=248 sum3=64014122
Emax=10.5261859591 nrkept=498 nrkeptmult=1142 
Total energy=-3.34870239494  Egs=-1.60295841226
Kept: 498 out of 2150, ratio=0.232
Memory used: 20 MB  Time elapsed: 1 s

 ***** [NRG] Iteration 14/66 (scale 0.0094777897514675032) ***** 
[1] xi(13)=0.999949190818 zeta(14)=0
Stats: nr=33 min=1 max=246 sum3=42402345
Safeguard: keep additional 7 states
Emax=10.8376780344 nrkept=574 nrkeptmult=1336 
Total energy=-3.35630285527  Egs=-0.801923289034
Kept: 574 out of 1857, ratio=0.309
Memory used: 19 MB  Time elapsed: 1 s

 ***** [NRG] Iteration 15/66 (scale 0.0067018094039230343) ***** 
[1] xi(14)=0.999974592294 zeta(15)=0
Stats: nr=34 min=1 max=248 sum3=64014122
Emax=10.5260985805 nrkept=498 nrkeptmult=1142 
Total energy=-3.36704594287  Egs=-1.60301300059
Kept: 498 out of 2150, ratio=0.232
Memory used: 20 MB  Time elapsed: 2 s

 ***** [NRG] Iteration 16/66 (scale 0.0047388948757337516) ***** 
[1] xi(15)=0.999987295369 zeta(16)=0
Stats: nr=33 min=1 max=246 sum3=42402345
Safeguard: keep additional 7 states
Emax=10.8376451971 nrkept=574 nrkeptmult=1336 
Total energy=-3.37084638579  Egs=-0.801968184155
Kept: 574 out of 1857, ratio=0.309
Memory used: 20 MB  Time elapsed: 2 s

 ***** [NRG] Iteration 17/66 (scale 0.0033509047019615172) ***** 
[1] xi(16)=0.99999364749 zeta(17)=0
Stats: nr=34 min=1 max=248 sum3=64014122
Emax=10.5260767336 nrkept=498 nrkeptmult=1142 
Total energy=-3.37621797535  Egs=-1.60302665467
Kept: 498 out of 2150, ratio=0.232
Memory used: 20 MB  Time elapsed: 2 s

 ***** [NRG] Iteration 18/66 (scale 0.0023694474378668758) ***** 
[1] xi(17)=0.999996823696 zeta(18)=0
Stats: nr=33 min=1 max=246 sum3=42402345
Safeguard: keep additional 7 states
Emax=10.8376369876 nrkept=574 nrkeptmult=1336 
Total energy=-3.3781182234  Egs=-0.801979409595
Kept: 574 out of 1857, ratio=0.309
Memory used: 20 MB  Time elapsed: 2 s

 ***** [NRG] Iteration 19/66 (scale 0.0016754523509807586) ***** 
[1] xi(18)=0.999998411836 zeta(19)=0
Stats: nr=34 min=1 max=248 sum3=64014122
Emax=10.5260712719 nrkept=498 nrkeptmult=1142 
Total energy=-3.3808040239  Egs=-1.60303006863
Kept: 498 out of 2150, ratio=0.232
Memory used: 21 MB  Time elapsed: 2 s

 ***** [NRG] Iteration 20/66 (scale 0.0011847237189334379) ***** 
[1] xi(19)=0.999999205915 zeta(20)=0
Stats: nr=33 min=1 max=246 sum3=42402345
Safeguard: keep additional 7 states
Emax=10.8376349354 nrkept=574 nrkeptmult=1336 
Total energy=-3.38175415126  Egs=-0.801982216054
Kept: 574 out of 1857, ratio=0.309
Memory used: 21 MB  Time elapsed: 2 s

 ***** [NRG] Iteration 21/66 (scale 0.00083772617549037929) ***** 
[1] xi(20)=0.999999602957 zeta(21)=0
Stats: nr=34 min=1 max=248 sum3=64014122
Emax=10.5260699066 nrkept=498 nrkeptmult=1142 
Total energy=-3.38309705222  Egs=-1.60303092215
Kept: 498 out of 2150, ratio=0.232
Memory used: 21 MB  Time elapsed: 3 s

 ***** [NRG] Iteration 22/66 (scale 0.00059236185946671895) ***** 
[1] xi(21)=0.999999801478 zeta(22)=0
Stats: nr=33 min=1 max=246 sum3=42402345
Safeguard: keep additional 7 states
Emax=10.8376344224 nrkept=574 nrkeptmult=1336 
Total energy=-3.38357211631  Egs=-0.801982917673
Kept: 574 out of 1857, ratio=0.309
Memory used: 21 MB  Time elapsed: 3 s

 ***** [NRG] Iteration 23/66 (scale 0.00041886308774518965) ***** 
[1] xi(22)=0.999999900739 zeta(23)=0
Stats: nr=34 min=1 max=248 sum3=64014122
Emax=10.5260695653 nrkept=498 nrkeptmult=1142 
Total energy=-3.38424356688  Egs=-1.60303113554
Kept: 498 out of 2150, ratio=0.232
Memory used: 21 MB  Time elapsed: 3 s

 ***** [NRG] Iteration 24/66 (scale 0.00029618092973335947) ***** 
[1] xi(23)=0.99999995037 zeta(24)=0
Stats: nr=33 min=1 max=246 sum3=42402345
Safeguard: keep additional 7 states
Emax=10.8376342942 nrkept=574 nrkeptmult=1336 
Total energy=-3.38448109898  Egs=-0.801983093077
Kept: 574 out of 1857, ratio=0.309
Memory used: 21 MB  Time elapsed: 3 s

 ***** [NRG] Iteration 25/66 (scale 0.00020943154387259482) ***** 
[1] xi(24)=0.999999975185 zeta(25)=0
Stats: nr=34 min=1 max=248 sum3=64014122
Emax=10.52606948 nrkept=498 nrkeptmult=1142 
Total energy=-3.38481682428  Egs=-1.60303118889
Kept: 498 out of 2150, ratio=0.232
Memory used: 21 MB  Time elapsed: 3 s

 ***** [NRG] Iteration 26/66 (scale 0.00014809046486667974) ***** 
[1] xi(25)=0.999999987592 zeta(26)=0
Stats: nr=33 min=1 max=246 sum3=42402345
Safeguard: keep additional 7 states
Emax=10.8376342622 nrkept=574 nrkeptmult=1336 
Total energy=-3.38493559033  Egs=-0.801983136927
Kept: 574 out of 1857, ratio=0.309
Memory used: 21 MB  Time elapsed: 4 s

 ***** [NRG] Iteration 27/66 (scale 0.00010471577193629741) ***** 
[1] xi(26)=0.999999993796 zeta(27)=0
Stats: nr=34 min=1 max=248 sum3=64014122
Emax=10.5260694587 nrkept=498 nrkeptmult=1142 
Total energy=-3.38510345298  Egs=-1.60303120222
Kept: 498 out of 2150, ratio=0.232
Memory used: 21 MB  Time elapsed: 4 s

 ***** [NRG] Iteration 28/66 (scale 7.4045232433339868e-05) ***** 
[1] xi(27)=0.999999996898 zeta(28)=0
Stats: nr=33 min=1 max=246 sum3=42402345
Safeguard: keep additional 7 states
Emax=10.8376342542 nrkept=574 nrkeptmult=1336 
Total energy=-3.38516283601  Egs=-0.801983147889
Kept: 574 out of 1857, ratio=0.309
Memory used: 21 MB  Time elapsed: 4 s

 ***** [NRG] Iteration 29/66 (scale 5.2357885968148706e-05) ***** 
[1] xi(28)=0.999999998449 zeta(29)=0
Stats: nr=34 min=1 max=248 sum3=64014122
Emax=10.5260694534 nrkept=498 nrkeptmult=1142 
Total energy=-3.38524676734  Egs=-1.60303120556
Kept: 498 out of 2150, ratio=0.232
Memory used: 21 MB  Time elapsed: 4 s

 ***** [NRG] Iteration 30/66 (scale 3.7022616216669934e-05) ***** 
[1] xi(29)=0.999999999225 zeta(30)=0
Stats: nr=33 min=1 max=246 sum3=42402345
Safeguard: keep additional 7 states
Emax=10.8376342522 nrkept=574 nrkeptmult=1336 
Total energy=-3.38527645885  Egs=-0.801983150629
Kept: 574 out of 1857, ratio=0.309
Memory used: 21 MB  Time elapsed: 4 s

 ***** [NRG] Iteration 31/66 (scale 2.6178942984074353e-05) ***** 
[1] xi(30)=0.999999999612 zeta(31)=0
Stats: nr=34 min=1 max=248 sum3=64014122
Emax=10.5260694521 nrkept=498 nrkeptmult=1142 
Total energy=-3.38531842451  Egs=-1.60303120639
Kept: 498 out of 2150, ratio=0.232
Memory used: 22 MB  Time elapsed: 5 s

 ***** [NRG] Iteration 32/66 (scale 1.8511308108334967e-05) ***** 
[1] xi(31)=0.999999999806 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=-3.38533327027  Egs=-0.801983151314
Kept: 574 out of 1857, ratio=0.309
Memory used: 22 MB  Time elapsed: 5 s

 ***** [NRG] Iteration 33/66 (scale 1.3089471492037176e-05) ***** 
[1] xi(32)=0.999999999903 zeta(33)=0
Stats: nr=34 min=1 max=248 sum3=64014122
Emax=10.5260694517 nrkept=498 nrkeptmult=1142 
Total energy=-3.3853542531  Egs=-1.6030312066
Kept: 498 out of 2150, ratio=0.232
Memory used: 22 MB  Time elapsed: 5 s

 ***** [NRG] Iteration 34/66 (scale 9.2556540541674836e-06) ***** 
[1] xi(33)=0.999999999952 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=-3.38536167598  Egs=-0.801983151486
Kept: 574 out of 1857, ratio=0.309
Memory used: 22 MB  Time elapsed: 5 s

 ***** [NRG] Iteration 35/66 (scale 6.5447357460185882e-06) ***** 
[1] xi(34)=0.999999999976 zeta(35)=0
Stats: nr=34 min=1 max=248 sum3=64014122
Emax=10.5260694516 nrkept=498 nrkeptmult=1142 
Total energy=-3.3853721674  Egs=-1.60303120665
Kept: 498 out of 2150, ratio=0.232
Memory used: 22 MB  Time elapsed: 5 s

 ***** [NRG] Iteration 36/66 (scale 4.6278270270837418e-06) ***** 
[1] xi(35)=0.999999999988 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=-3.38537587884  Egs=-0.801983151528
Kept: 574 out of 1857, ratio=0.309
Memory used: 21 MB  Time elapsed: 6 s

 ***** [NRG] Iteration 37/66 (scale 3.2723678730092941e-06) ***** 
[1] xi(36)=0.999999999994 zeta(37)=0
Stats: nr=34 min=1 max=248 sum3=64014122
Emax=10.5260694516 nrkept=498 nrkeptmult=1142 
Total energy=-3.38538112454  Egs=-1.60303120667
Kept: 498 out of 2150, ratio=0.232
Memory used: 22 MB  Time elapsed: 6 s

 ***** [NRG] Iteration 38/66 (scale 2.3139135135418709e-06) ***** 
[1] xi(37)=0.999999999997 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=-3.38538298026  Egs=-0.801983151539
Kept: 574 out of 1857, ratio=0.309
Memory used: 21 MB  Time elapsed: 6 s

 ***** [NRG] Iteration 39/66 (scale 1.6361839365046471e-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=-3.38538560312  Egs=-1.60303120667
Kept: 498 out of 2150, ratio=0.232
Memory used: 22 MB  Time elapsed: 6 s

 ***** [NRG] Iteration 40/66 (scale 1.1569567567709354e-06) ***** 
[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=-3.38538653098  Egs=-0.801983151542
Kept: 574 out of 1857, ratio=0.309
Memory used: 22 MB  Time elapsed: 6 s

 ***** [NRG] Iteration 41/66 (scale 8.1809196825232353e-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=-3.3853878424  Egs=-1.60303120667
Kept: 498 out of 2150, ratio=0.232
Memory used: 22 MB  Time elapsed: 7 s

 ***** [NRG] Iteration 42/66 (scale 5.7847837838546772e-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=-3.38538830633  Egs=-0.801983151542
Kept: 574 out of 1857, ratio=0.309
Memory used: 22 MB  Time elapsed: 7 s

 ***** [NRG] Iteration 43/66 (scale 4.0904598412616176e-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=-3.38538896205  Egs=-1.60303120667
Kept: 498 out of 2150, ratio=0.232
Memory used: 22 MB  Time elapsed: 7 s

 ***** [NRG] Iteration 44/66 (scale 2.8923918919273386e-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=-3.38538919401  Egs=-0.801983151543
Kept: 574 out of 1857, ratio=0.309
Memory used: 22 MB  Time elapsed: 7 s

 ***** [NRG] Iteration 45/66 (scale 2.0452299206308088e-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=-3.38538952187  Egs=-1.60303120667
Kept: 498 out of 2150, ratio=0.232
Memory used: 22 MB  Time elapsed: 7 s

 ***** [NRG] Iteration 46/66 (scale 1.4461959459636693e-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=-3.38538963785  Egs=-0.801983151543
Kept: 574 out of 1857, ratio=0.309
Memory used: 22 MB  Time elapsed: 7 s

 ***** [NRG] Iteration 47/66 (scale 1.0226149603154044e-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=-3.38538980178  Egs=-1.60303120667
Kept: 498 out of 2150, ratio=0.232
Memory used: 22 MB  Time elapsed: 8 s

 ***** [NRG] Iteration 48/66 (scale 7.2309797298183465e-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=-3.38538985977  Egs=-0.801983151543
Kept: 574 out of 1857, ratio=0.309
Memory used: 22 MB  Time elapsed: 8 s

 ***** [NRG] Iteration 49/66 (scale 5.113074801577022e-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=-3.38538994173  Egs=-1.60303120667
Kept: 498 out of 2150, ratio=0.232
Memory used: 22 MB  Time elapsed: 8 s

 ***** [NRG] Iteration 50/66 (scale 3.6154898649091733e-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=-3.38538997073  Egs=-0.801983151543
Kept: 574 out of 1857, ratio=0.309
Memory used: 23 MB  Time elapsed: 8 s

 ***** [NRG] Iteration 51/66 (scale 2.556537400788511e-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=-3.38539001171  Egs=-1.60303120667
Kept: 498 out of 2150, ratio=0.232
Memory used: 23 MB  Time elapsed: 8 s

 ***** [NRG] Iteration 52/66 (scale 1.8077449324545866e-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=-3.38539002621  Egs=-0.801983151543
Kept: 574 out of 1857, ratio=0.309
Memory used: 23 MB  Time elapsed: 9 s

 ***** [NRG] Iteration 53/66 (scale 1.2782687003942555e-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=-3.3853900467  Egs=-1.60303120667
Kept: 498 out of 2150, ratio=0.232
Memory used: 23 MB  Time elapsed: 9 s

 ***** [NRG] Iteration 54/66 (scale 9.0387246622729332e-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=-3.38539005395  Egs=-0.801983151543
Kept: 574 out of 1857, ratio=0.309
Memory used: 23 MB  Time elapsed: 9 s

 ***** [NRG] Iteration 55/66 (scale 6.3913435019712775e-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=-3.3853900642  Egs=-1.60303120667
Kept: 498 out of 2150, ratio=0.232
Memory used: 23 MB  Time elapsed: 9 s

 ***** [NRG] Iteration 56/66 (scale 4.5193623311364666e-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=-3.38539006782  Egs=-0.801983151543
Kept: 574 out of 1857, ratio=0.309
Memory used: 23 MB  Time elapsed: 9 s

 ***** [NRG] Iteration 57/66 (scale 3.1956717509856388e-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=-3.38539007294  Egs=-1.60303120667
Kept: 498 out of 2150, ratio=0.232
Memory used: 23 MB  Time elapsed: 10 s

 ***** [NRG] Iteration 58/66 (scale 2.2596811655682333e-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=-3.38539007476  Egs=-0.801983151543
Kept: 574 out of 1857, ratio=0.309
Memory used: 23 MB  Time elapsed: 10 s

 ***** [NRG] Iteration 59/66 (scale 1.5978358754928194e-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=-3.38539007732  Egs=-1.60303120667
Kept: 498 out of 2150, ratio=0.232
Memory used: 23 MB  Time elapsed: 10 s

 ***** [NRG] Iteration 60/66 (scale 1.1298405827841166e-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=-3.38539007822  Egs=-0.801983151543
Kept: 574 out of 1857, ratio=0.309
Memory used: 23 MB  Time elapsed: 10 s

 ***** [NRG] Iteration 61/66 (scale 7.9891793774640969e-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=-3.3853900795  Egs=-1.60303120667
Kept: 498 out of 2150, ratio=0.232
Memory used: 23 MB  Time elapsed: 10 s

 ***** [NRG] Iteration 62/66 (scale 5.6492029139205832e-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=-3.38539007996  Egs=-0.801983151543
Kept: 574 out of 1857, ratio=0.309
Memory used: 23 MB  Time elapsed: 11 s

 ***** [NRG] Iteration 63/66 (scale 3.9945896887320485e-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=-3.3853900806  Egs=-1.60303120667
Kept: 498 out of 2150, ratio=0.232
Memory used: 23 MB  Time elapsed: 11 s

 ***** [NRG] Iteration 64/66 (scale 2.8246014569602916e-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=-3.38539008082  Egs=-0.801983151543
Kept: 574 out of 1857, ratio=0.309
Memory used: 23 MB  Time elapsed: 11 s

 ***** [NRG] Iteration 65/66 (scale 1.9972948443660242e-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=-3.38539008114  Egs=-1.60303120667
Kept: 498 out of 2150, ratio=0.232
Memory used: 23 MB  Time elapsed: 11 s

 ***** [NRG] Iteration 66/66 (scale 1.4123007284801458e-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=-3.38539008126  Egs=-0.801983151543
Kept: 574 out of 1857, ratio=0.309
Memory used: 23 MB  Time elapsed: 11 s

** Iteration completed.


Total energy:             -3.385390081256873
TKW=0
Grand canonical Z=              13.43215662016542
Zft (last shell)=               13.41814542956896

Memory usage report
===================
  after diag: 25260 kB
after recalc: 24264 kB
 after split: 25320 kB
  after trim: 24264 kB
 after trunc: 25312 kB
      diag_h: 25260 kB

Peak usage: 25320 kB

Timing report
=============
         All: 11 s
        diag: 9 s
    recalc f: 0 s
       Other: 2 s
