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-10 -> Nmax=66
TEMPERATURE T=1.23477095247e-10
Nmax=66
Tmin=1e-10
Ninit=0
Lambda=2
strategy=kept
lastall=0
lastalloverride=0
z=1
discretization=Y
band=flat
betabar=1
T=1.23477095247e-10
T_ratio=1
Tmin_ratio=-999
keep=5000
keepenergy=10
keepmin=0
keepblock=0
keepzrescale=0
log=
logall=0
logenumber=10
smooth=old
alpha=0.3
omega0=-1
omega0_ratio=1
brcut=0
loggauss_b=0.3
gauss_b=0.1
limitLL=0
eta=0
finite=0
bins=100
discard_trim=1e-16
discard_immediately=1e-16
NN1=0
NN2even=1
NN2avg=0
NNtanh=0
goodE=2
savebins=0
broaden=1
broaden_max=2.5
broaden_min=-99
broaden_min_ratio=3
broaden_ratio=1.05
dumpenergies=0
saveall=0
dumpannotated=0
dumpscaled=1
dumpabs=0
dumpprecision=8
dumpgroups=1
grouptol=1e-06
dumpdiagonal=0
ops=
specs=
specd=
spect=
specb=
reim=0
trsq=
specgt=
gtp=0.7
speci1t=
speci2t=
speckubo=
kubop=0.7
kubor=4
kubob=2
cond=
specchit=
chitp=1
chitp_ratio=-999
dm=0
T0opt=-1
dmnrg=0
cfs=0
fdm=0
fdmexpv=0
fdmexpvn=0
mats=0
nromegan=100
width_td=12
width_custom=12
prec_td=6
prec_custom=6
prec_xy=6
safeguard=1e-05
safeguardmax=200
fixeps=1e-15
diag=dsyev
diagratio=1
dsyevrlimit=100
restart=1
restartfactor=2
checkdiag=0
checkrho=0
calc0=1
tdht=0
spin=2
tri=old
preccpp=2000
checksumrules=0
showEs=0
globalB=0
globalBx=0
polarized=0
pol2x2=0
mpi=0
saveF=0
trunc=
noimag=1
dumpsubspaces=0
done=0
resume=0
forcestop=-1
stopafter=
removefiles=1
store=one

>>  Input file for NRG Ljubljana, Rok Zitko, rok.zitko@ijs.si, 2005-2012
SYMMETRY TYPE: QS
>>  $Id: initial.m,v 1.1 2012/05/15 09:58:19 rokzitko Exp rokzitko $
>>  Using sneg version 	1.233
>>  Model: 	SIAM	 Variant: 		 Channels: 	1
>>  U=	0.1	 Gamma=	0.1	 Delta=	0.	 t=	0.
>> 
>>  Gamma^(1/2)=	0.2572754944525333
>>  Lambda=	2.	 BAND=	flat
>>  DISCRETIZATION=	Y	 z=	1.
>>  ops=	
V7
>>  Number of channels, impurities, subspaces: 
channels=1 impurities=1 subspaces=6
Reading <||||> (e)
Reading <||||> (z)

# $Id: nrg.cc,v 1.31 2012/10/26 10:18:22 rokzitko Exp rokzitko $ QS
# disk=Y band=flat Lambda=2 z=1
# keep=5000 keepenergy=10 Nmax=66 channels=1 dots=1 betabar=1

Number of invariant subspaces: 6
(-2 1) 1 states
0.509265805305 
(-1 2) 2 states
0.24199142338 0.729399735152 
(0 1) 3 states
0 0.509265805305 0.971391158532 
(0 3) 1 states
0.462125353226 
(1 2) 2 states
0.24199142338 0.729399735152 
(2 1) 1 states
0.509265805305 
Number of states (multiplicity taken into account): 16

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

Computing the following spectra:

Before NRG iteration (N=-1)

 ***** [NRG] Iteration 1/66 (scale 0.75) ***** 
[1] xi(0)=0.755928946018 zeta(1)=0
Stats: nr=10 min=1 max=8 sum3=1055
Emax=3.36749001625 nrkept=35 nrkeptmult=64 
Total energy=-1.2378087561  Egs=-0.996867732745
Kept: 35 out of 35, ratio=1
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 2/66 (scale 0.5303300858899106) ***** 
[1] xi(1)=0.814613079963 zeta(2)=0
Stats: nr=15 min=1 max=20 sum3=30066
Emax=6.73495983238 nrkept=126 nrkeptmult=256 
Total energy=-1.76087591319  Egs=-0.98630489012
Kept: 126 out of 126, ratio=1
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 3/66 (scale 0.375) ***** 
[1] xi(2)=0.892494029723 zeta(3)=0
Stats: nr=21 min=1 max=75 sum3=1007202
Safeguard: keep additional 1 states
Emax=10.6557501982 nrkept=453 nrkeptmult=1010 
Total energy=-2.13916794636  Egs=-1.00877875514
Kept: 453 out of 462, ratio=0.981
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 4/66 (scale 0.26516504294495535) ***** 
[1] xi(3)=0.942104180991 zeta(4)=0
Stats: nr=28 min=1 max=204 sum3=34462150
Safeguard: keep additional 1 states
Emax=10.0458035518 nrkept=982 nrkeptmult=2360 
Total energy=-2.46652026294  Egs=-1.23452289542
Kept: 982 out of 1684, ratio=0.583
Memory used: 10 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 5/66 (scale 0.1875) ***** 
[1] xi(4)=0.96993426226 zeta(5)=0
Stats: nr=36 min=1 max=443 sum3=270586203
Emax=10.0019345711 nrkept=1185 nrkeptmult=2884 
Total energy=-2.65254801903  Egs=-0.992148032475
Kept: 1185 out of 3687, ratio=0.321
Memory used: 16 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 6/66 (scale 0.13258252147247768) ***** 
[1] xi(5)=0.984675515632 zeta(6)=0
Stats: nr=38 min=2 max=475 sum3=479426008
Safeguard: keep additional 4 states
Emax=10.0127000528 nrkept=1208 nrkeptmult=2918 
Total energy=-2.83383403068  Egs=-1.36734472711
Kept: 1208 out of 4456, ratio=0.271
Memory used: 16 MB  Time elapsed: 2 s

 ***** [NRG] Iteration 7/66 (scale 0.09375) ***** 
[1] xi(6)=0.992263204714 zeta(7)=0
Stats: nr=34 min=1 max=545 sum3=509779622
Safeguard: keep additional 1 states
Emax=10.1580339061 nrkept=1181 nrkeptmult=2870 
Total energy=-2.92173889902  Egs=-0.93765192903
Kept: 1181 out of 4538, ratio=0.26
Memory used: 16 MB  Time elapsed: 3 s

 ***** [NRG] Iteration 8/66 (scale 0.066291260736238838) ***** 
[1] xi(7)=0.996112749408 zeta(8)=0
Stats: nr=38 min=2 max=474 sum3=474486444
Safeguard: keep additional 2 states
Emax=10.0018693466 nrkept=956 nrkeptmult=2280 
Total energy=-3.018211606  Egs=-1.45528544653
Kept: 956 out of 4440, ratio=0.215
Memory used: 17 MB  Time elapsed: 4 s

 ***** [NRG] Iteration 9/66 (scale 0.046875) ***** 
[1] xi(8)=0.998051634085 zeta(9)=0
Stats: nr=33 min=2 max=443 sum3=266695118
Safeguard: keep additional 1 states
Emax=10.0040412665 nrkept=890 nrkeptmult=2126 
Total energy=-3.05974129636  Egs=-0.885966727639
Kept: 890 out of 3584, ratio=0.248
Memory used: 21 MB  Time elapsed: 5 s

 ***** [NRG] Iteration 10/66 (scale 0.033145630368119419) ***** 
[1] xi(9)=0.99902462843 zeta(10)=0
Stats: nr=38 min=1 max=369 sum3=218557732
Safeguard: keep additional 1 states
Emax=10.0242222275 nrkept=779 nrkeptmult=1849 
Total energy=-3.10999411314  Egs=-1.51612192068
Kept: 779 out of 3340, ratio=0.233
Memory used: 20 MB  Time elapsed: 6 s

 ***** [NRG] Iteration 11/66 (scale 0.0234375) ***** 
[1] xi(10)=0.999512016628 zeta(11)=0
Stats: nr=33 min=2 max=368 sum3=149124130
Safeguard: keep additional 3 states
Emax=10.0019436508 nrkept=819 nrkeptmult=1958 
Total energy=-3.12990493  Egs=-0.84952818615
Kept: 819 out of 2926, ratio=0.28
Memory used: 20 MB  Time elapsed: 6 s

 ***** [NRG] Iteration 12/66 (scale 0.01657281518405971) ***** 
[1] xi(11)=0.999755933863 zeta(12)=0
Stats: nr=38 min=1 max=339 sum3=170090108
Safeguard: keep additional 1 states
Emax=10.0038965319 nrkept=644 nrkeptmult=1508 
Total energy=-3.15567559622  Egs=-1.55499629577
Kept: 644 out of 3074, ratio=0.209
Memory used: 20 MB  Time elapsed: 7 s

 ***** [NRG] Iteration 13/66 (scale 0.01171875) ***** 
[1] xi(12)=0.999877948312 zeta(13)=0
Stats: nr=33 min=1 max=308 sum3=86150712
Safeguard: keep additional 2 states
Emax=10.005783893 nrkept=584 nrkeptmult=1366 
Total energy=-3.16537227969  Egs=-0.827450322662
Kept: 584 out of 2406, ratio=0.243
Memory used: 21 MB  Time elapsed: 7 s

 ***** [NRG] Iteration 14/66 (scale 0.0082864075920298548) ***** 
[1] xi(13)=0.9999389695 zeta(14)=0
Stats: nr=34 min=1 max=253 sum3=68038992
Safeguard: keep additional 2 states
Emax=10.0056483242 nrkept=534 nrkeptmult=1248 
Total energy=-3.17844512296  Egs=-1.57762493889
Kept: 534 out of 2190, ratio=0.244
Memory used: 22 MB  Time elapsed: 8 s

 ***** [NRG] Iteration 15/66 (scale 0.005859375) ***** 
[1] xi(14)=0.999969483586 zeta(15)=0
Stats: nr=33 min=1 max=264 sum3=52224369
Emax=10.0223223837 nrkept=567 nrkeptmult=1322 
Total energy=-3.18322164184  Egs=-0.815192554899
Kept: 567 out of 2001, ratio=0.283
Memory used: 22 MB  Time elapsed: 8 s

 ***** [NRG] Iteration 16/66 (scale 0.0041432037960149274) ***** 
[1] xi(15)=0.999984741502 zeta(16)=0
Stats: nr=34 min=1 max=244 sum3=61218744
Safeguard: keep additional 1 states
Emax=10.0321300813 nrkept=501 nrkeptmult=1157 
Total energy=-3.18980909944  Egs=-1.58994293499
Kept: 501 out of 2124, ratio=0.236
Memory used: 22 MB  Time elapsed: 8 s

 ***** [NRG] Iteration 17/66 (scale 0.0029296875) ***** 
[1] xi(16)=0.999992370678 zeta(17)=0
Stats: nr=33 min=1 max=245 sum3=42665008
Emax=10.5664611119 nrkept=567 nrkeptmult=1322 
Total energy=-3.1921783807  Egs=-0.808714669888
Kept: 567 out of 1870, ratio=0.303
Memory used: 23 MB  Time elapsed: 8 s

 ***** [NRG] Iteration 18/66 (scale 0.0020716018980074637) ***** 
[1] xi(17)=0.999996185321 zeta(18)=0
Stats: nr=34 min=1 max=244 sum3=61218744
Safeguard: keep additional 1 states
Emax=10.2882005181 nrkept=499 nrkeptmult=1149 
Total energy=-3.19548545583  Egs=-1.59638545161
Kept: 499 out of 2124, ratio=0.235
Memory used: 23 MB  Time elapsed: 8 s

 ***** [NRG] Iteration 19/66 (scale 0.00146484375) ***** 
[1] xi(18)=0.999998092656 zeta(19)=0
Stats: nr=33 min=1 max=245 sum3=42367736
Emax=10.70055335 nrkept=567 nrkeptmult=1322 
Total energy=-3.1966652142  Egs=-0.805381709163
Kept: 567 out of 1862, ratio=0.305
Memory used: 23 MB  Time elapsed: 9 s

 ***** [NRG] Iteration 20/66 (scale 0.0010358009490037319) ***** 
[1] xi(19)=0.999999046327 zeta(20)=0
Stats: nr=34 min=1 max=244 sum3=61218744
Safeguard: keep additional 1 states
Emax=10.4535182893 nrkept=499 nrkeptmult=1149 
Total energy=-3.19832216655  Egs=-1.59968221478
Kept: 499 out of 2124, ratio=0.235
Memory used: 23 MB  Time elapsed: 9 s

 ***** [NRG] Iteration 21/66 (scale 0.000732421875) ***** 
[1] xi(20)=0.999999523163 zeta(21)=0
Stats: nr=33 min=1 max=245 sum3=42367736
Emax=10.770892785 nrkept=567 nrkeptmult=1322 
Total energy=-3.19891080726  Egs=-0.803690774879
Kept: 567 out of 1862, ratio=0.305
Memory used: 23 MB  Time elapsed: 9 s

 ***** [NRG] Iteration 22/66 (scale 0.00051790047450186593) ***** 
[1] xi(21)=0.999999761581 zeta(22)=0
Stats: nr=34 min=1 max=244 sum3=61218744
Emax=10.5013455167 nrkept=498 nrkeptmult=1142 
Total energy=-3.19974014723  Egs=-1.6013500906
Kept: 498 out of 2124, ratio=0.234
Memory used: 23 MB  Time elapsed: 9 s

 ***** [NRG] Iteration 23/66 (scale 0.0003662109375) ***** 
[1] xi(22)=0.999999880791 zeta(23)=0
Stats: nr=33 min=1 max=246 sum3=42402345
Emax=10.8067582518 nrkept=567 nrkeptmult=1322 
Total energy=-3.20003415568  Egs=-0.802839068006
Kept: 567 out of 1857, ratio=0.305
Memory used: 23 MB  Time elapsed: 9 s

 ***** [NRG] Iteration 24/66 (scale 0.00025895023725093296) ***** 
[1] xi(23)=0.999999940395 zeta(24)=0
Stats: nr=34 min=1 max=244 sum3=61218744
Emax=10.5136866408 nrkept=498 nrkeptmult=1142 
Total energy=-3.20044904289  Egs=-1.60218898199
Kept: 498 out of 2124, ratio=0.234
Memory used: 23 MB  Time elapsed: 10 s

 ***** [NRG] Iteration 25/66 (scale 0.00018310546875) ***** 
[1] xi(24)=0.999999970198 zeta(25)=0
Stats: nr=33 min=1 max=246 sum3=42402345
Emax=10.8246913035 nrkept=567 nrkeptmult=1322 
Total energy=-3.20059596885  Egs=-0.802411638331
Kept: 567 out of 1857, ratio=0.305
Memory used: 23 MB  Time elapsed: 10 s

 ***** [NRG] Iteration 26/66 (scale 0.00012947511862546648) ***** 
[1] xi(25)=0.999999985099 zeta(26)=0
Stats: nr=34 min=1 max=244 sum3=61218744
Emax=10.5198734985 nrkept=498 nrkeptmult=1142 
Total energy=-3.20080346693  Egs=-1.60260967621
Kept: 498 out of 2124, ratio=0.234
Memory used: 23 MB  Time elapsed: 10 s

 ***** [NRG] Iteration 27/66 (scale 9.1552734375e-05) ***** 
[1] xi(26)=0.999999992549 zeta(27)=0
Stats: nr=33 min=1 max=246 sum3=42402345
Emax=10.8318442831 nrkept=567 nrkeptmult=1324 
Total energy=-3.20087691031  Egs=-0.802197527368
Kept: 567 out of 1857, ratio=0.305
Memory used: 24 MB  Time elapsed: 10 s

 ***** [NRG] Iteration 28/66 (scale 6.4737559312733241e-05) ***** 
[1] xi(27)=0.999999996275 zeta(28)=0
Stats: nr=34 min=1 max=243 sum3=60833952
Emax=10.5229819514 nrkept=498 nrkeptmult=1142 
Total energy=-3.20098067298  Egs=-1.60282033673
Kept: 498 out of 2124, ratio=0.234
Memory used: 23 MB  Time elapsed: 10 s

 ***** [NRG] Iteration 29/66 (scale 4.57763671875e-05) ***** 
[1] xi(28)=0.999999998137 zeta(29)=0
Stats: nr=33 min=1 max=246 sum3=42402345
Emax=10.8347445669 nrkept=567 nrkeptmult=1324 
Total energy=-3.20101738977  Egs=-0.802090372597
Kept: 567 out of 1857, ratio=0.305
Memory used: 23 MB  Time elapsed: 11 s

 ***** [NRG] Iteration 30/66 (scale 3.236877965636662e-05) ***** 
[1] xi(29)=0.999999999069 zeta(30)=0
Stats: nr=34 min=1 max=243 sum3=60833952
Emax=10.5245325413 nrkept=498 nrkeptmult=1142 
Total energy=-3.20106927452  Egs=-1.60292574551
Kept: 498 out of 2124, ratio=0.234
Memory used: 23 MB  Time elapsed: 11 s

 ***** [NRG] Iteration 31/66 (scale 2.288818359375e-05) ***** 
[1] xi(30)=0.999999999534 zeta(31)=0
Stats: nr=33 min=1 max=246 sum3=42402345
Emax=10.8361951494 nrkept=567 nrkeptmult=1324 
Total energy=-3.20108763168  Egs=-0.802036770359
Kept: 567 out of 1857, ratio=0.305
Memory used: 24 MB  Time elapsed: 11 s

 ***** [NRG] Iteration 32/66 (scale 1.618438982818331e-05) ***** 
[1] xi(31)=0.999999999767 zeta(32)=0
Stats: nr=34 min=1 max=243 sum3=60833952
Emax=10.5253081175 nrkept=498 nrkeptmult=1142 
Total energy=-3.20111357491  Egs=-1.60297846954
Kept: 498 out of 2124, ratio=0.234
Memory used: 24 MB  Time elapsed: 11 s

 ***** [NRG] Iteration 33/66 (scale 1.1444091796875e-05) ***** 
[1] xi(32)=0.999999999884 zeta(33)=0
Stats: nr=33 min=1 max=246 sum3=42402345
Emax=10.83692054 nrkept=567 nrkeptmult=1324 
Total energy=-3.20112275319  Egs=-0.802009963023
Kept: 567 out of 1857, ratio=0.305
Memory used: 24 MB  Time elapsed: 11 s

 ***** [NRG] Iteration 34/66 (scale 8.0921949140916551e-06) ***** 
[1] xi(33)=0.999999999942 zeta(34)=0
Stats: nr=34 min=1 max=243 sum3=60833952
Emax=10.5256959759 nrkept=498 nrkeptmult=1142 
Total energy=-3.20113572501  Egs=-1.60300483647
Kept: 498 out of 2124, ratio=0.234
Memory used: 24 MB  Time elapsed: 12 s

 ***** [NRG] Iteration 35/66 (scale 5.7220458984375e-06) ***** 
[1] xi(34)=0.999999999971 zeta(35)=0
Stats: nr=33 min=1 max=246 sum3=42402345
Safeguard: keep additional 2 states
Emax=10.8372895099 nrkept=569 nrkeptmult=1330 
Total energy=-3.20114031408  Egs=-0.8019965578
Kept: 569 out of 1857, ratio=0.306
Memory used: 24 MB  Time elapsed: 12 s

 ***** [NRG] Iteration 36/66 (scale 4.0460974570458275e-06) ***** 
[1] xi(35)=0.999999999985 zeta(36)=0
Stats: nr=34 min=1 max=244 sum3=61697330
Emax=10.5258899227 nrkept=498 nrkeptmult=1142 
Total energy=-3.20114680004  Egs=-1.60301802116
Kept: 498 out of 2132, ratio=0.234
Memory used: 24 MB  Time elapsed: 12 s

 ***** [NRG] Iteration 37/66 (scale 2.86102294921875e-06) ***** 
[1] xi(36)=0.999999999993 zeta(37)=0
Stats: nr=33 min=1 max=246 sum3=42402345
Safeguard: keep additional 8 states
Emax=10.8374845662 nrkept=575 nrkeptmult=1340 
Total energy=-3.20114909455  Egs=-0.801989854801
Kept: 575 out of 1857, ratio=0.31
Memory used: 24 MB  Time elapsed: 12 s

 ***** [NRG] Iteration 38/66 (scale 2.0230487285229138e-06) ***** 
[1] xi(37)=0.999999999996 zeta(38)=0
Stats: nr=34 min=1 max=248 sum3=64262334
Emax=10.5259724665 nrkept=498 nrkeptmult=1142 
Total energy=-3.20115233755  Egs=-1.60302461381
Kept: 498 out of 2154, ratio=0.231
Memory used: 25 MB  Time elapsed: 12 s

 ***** [NRG] Iteration 39/66 (scale 1.430511474609375e-06) ***** 
[1] xi(38)=0.999999999998 zeta(39)=0
Stats: nr=33 min=1 max=246 sum3=42402345
Safeguard: keep additional 8 states
Emax=10.8375593753 nrkept=575 nrkeptmult=1340 
Total energy=-3.2011534848  Egs=-0.801986503204
Kept: 575 out of 1857, ratio=0.31
Memory used: 25 MB  Time elapsed: 13 s

 ***** [NRG] Iteration 40/66 (scale 1.0115243642614569e-06) ***** 
[1] xi(39)=0.999999999999 zeta(40)=0
Stats: nr=34 min=1 max=248 sum3=64262334
Emax=10.5260209586 nrkept=498 nrkeptmult=1142 
Total energy=-3.2011551063  Egs=-1.60302791022
Kept: 498 out of 2154, ratio=0.231
Memory used: 25 MB  Time elapsed: 13 s

 ***** [NRG] Iteration 41/66 (scale 7.152557373046875e-07) ***** 
[1] xi(40)=1 zeta(41)=0
Stats: nr=33 min=1 max=246 sum3=42402345
Safeguard: keep additional 8 states
Emax=10.8376006264 nrkept=575 nrkeptmult=1340 
Total energy=-3.20115567993  Egs=-0.801984827381
Kept: 575 out of 1857, ratio=0.31
Memory used: 25 MB  Time elapsed: 13 s

 ***** [NRG] Iteration 42/66 (scale 5.0576218213072844e-07) ***** 
[1] xi(41)=1 zeta(42)=0
Stats: nr=34 min=1 max=248 sum3=64262334
Emax=10.5260452051 nrkept=498 nrkeptmult=1142 
Total energy=-3.20115649068  Egs=-1.60302955844
Kept: 498 out of 2154, ratio=0.231
Memory used: 25 MB  Time elapsed: 13 s

 ***** [NRG] Iteration 43/66 (scale 3.5762786865234375e-07) ***** 
[1] xi(42)=1 zeta(43)=0
Stats: nr=33 min=1 max=246 sum3=42402345
Safeguard: keep additional 12 states
Emax=10.8376285253 nrkept=579 nrkeptmult=1344 
Total energy=-3.20115677749  Egs=-0.801983989464
Kept: 579 out of 1857, ratio=0.312
Memory used: 25 MB  Time elapsed: 13 s

 ***** [NRG] Iteration 44/66 (scale 2.5288109106536422e-07) ***** 
[1] xi(43)=1 zeta(44)=0
Stats: nr=34 min=1 max=249 sum3=65097582
Emax=10.5260573283 nrkept=498 nrkeptmult=1142 
Total energy=-3.20115718287  Egs=-1.60303038255
Kept: 498 out of 2166, ratio=0.23
Memory used: 26 MB  Time elapsed: 14 s

 ***** [NRG] Iteration 45/66 (scale 1.7881393432617188e-07) ***** 
[1] xi(44)=1 zeta(45)=0
Stats: nr=33 min=1 max=246 sum3=42402345
Safeguard: keep additional 12 states
Emax=10.8376371961 nrkept=579 nrkeptmult=1344 
Total energy=-3.20115732627  Egs=-0.801983570504
Kept: 579 out of 1857, ratio=0.312
Memory used: 26 MB  Time elapsed: 14 s

 ***** [NRG] Iteration 46/66 (scale 1.2644054553268211e-07) ***** 
[1] xi(45)=1 zeta(46)=0
Stats: nr=34 min=1 max=249 sum3=65097582
Emax=10.52606339 nrkept=498 nrkeptmult=1142 
Total energy=-3.20115752896  Egs=-1.60303079461
Kept: 498 out of 2166, ratio=0.23
Memory used: 26 MB  Time elapsed: 14 s

 ***** [NRG] Iteration 47/66 (scale 8.9406967163085938e-08) ***** 
[1] xi(46)=1 zeta(47)=0
Stats: nr=33 min=1 max=246 sum3=42402345
Safeguard: keep additional 7 states
Emax=10.8376295212 nrkept=574 nrkeptmult=1336 
Total energy=-3.20115760066  Egs=-0.801983361023
Kept: 574 out of 1857, ratio=0.309
Memory used: 26 MB  Time elapsed: 14 s

 ***** [NRG] Iteration 48/66 (scale 6.3220272766341055e-08) ***** 
[1] xi(47)=1 zeta(48)=0
Stats: nr=34 min=1 max=248 sum3=64014122
Emax=10.5260664209 nrkept=498 nrkeptmult=1142 
Total energy=-3.20115770201  Egs=-1.60303100064
Kept: 498 out of 2150, ratio=0.232
Memory used: 26 MB  Time elapsed: 14 s

 ***** [NRG] Iteration 49/66 (scale 4.4703483581542969e-08) ***** 
[1] xi(48)=1 zeta(49)=0
Stats: nr=33 min=1 max=246 sum3=42402345
Safeguard: keep additional 7 states
Emax=10.8376319117 nrkept=574 nrkeptmult=1336 
Total energy=-3.20115773786  Egs=-0.801983256283
Kept: 574 out of 1857, ratio=0.309
Memory used: 26 MB  Time elapsed: 15 s

 ***** [NRG] Iteration 50/66 (scale 3.1610136383170528e-08) ***** 
[1] xi(49)=1 zeta(50)=0
Stats: nr=34 min=1 max=248 sum3=64014122
Emax=10.5260679362 nrkept=498 nrkeptmult=1142 
Total energy=-3.20115778853  Egs=-1.60303110366
Kept: 498 out of 2150, ratio=0.232
Memory used: 26 MB  Time elapsed: 15 s

 ***** [NRG] Iteration 51/66 (scale 2.2351741790771484e-08) ***** 
[1] xi(50)=1 zeta(51)=0
Stats: nr=33 min=1 max=246 sum3=42402345
Safeguard: keep additional 7 states
Emax=10.8376330816 nrkept=574 nrkeptmult=1336 
Total energy=-3.20115780646  Egs=-0.801983203913
Kept: 574 out of 1857, ratio=0.309
Memory used: 26 MB  Time elapsed: 15 s

 ***** [NRG] Iteration 52/66 (scale 1.5805068191585264e-08) ***** 
[1] xi(51)=1 zeta(52)=0
Stats: nr=34 min=1 max=248 sum3=64014122
Emax=10.5260686939 nrkept=498 nrkeptmult=1142 
Total energy=-3.20115783179  Egs=-1.60303115516
Kept: 498 out of 2150, ratio=0.232
Memory used: 26 MB  Time elapsed: 15 s

 ***** [NRG] Iteration 53/66 (scale 1.1175870895385742e-08) ***** 
[1] xi(52)=1 zeta(53)=0
Stats: nr=33 min=1 max=246 sum3=42402345
Safeguard: keep additional 7 states
Emax=10.8376336666 nrkept=574 nrkeptmult=1336 
Total energy=-3.20115784076  Egs=-0.801983177728
Kept: 574 out of 1857, ratio=0.309
Memory used: 26 MB  Time elapsed: 15 s

 ***** [NRG] Iteration 54/66 (scale 7.9025340957926319e-09) ***** 
[1] xi(53)=1 zeta(54)=0
Stats: nr=34 min=1 max=248 sum3=64014122
Emax=10.5260690728 nrkept=498 nrkeptmult=1142 
Total energy=-3.20115785342  Egs=-1.60303118092
Kept: 498 out of 2150, ratio=0.232
Memory used: 26 MB  Time elapsed: 16 s

 ***** [NRG] Iteration 55/66 (scale 5.5879354476928711e-09) ***** 
[1] xi(54)=1 zeta(55)=0
Stats: nr=33 min=1 max=246 sum3=42402345
Safeguard: keep additional 7 states
Emax=10.837633959 nrkept=574 nrkeptmult=1336 
Total energy=-3.20115785791  Egs=-0.801983164635
Kept: 574 out of 1857, ratio=0.309
Memory used: 26 MB  Time elapsed: 16 s

 ***** [NRG] Iteration 56/66 (scale 3.951267047896316e-09) ***** 
[1] xi(55)=1 zeta(56)=0
Stats: nr=34 min=1 max=248 sum3=64014122
Emax=10.5260692622 nrkept=498 nrkeptmult=1142 
Total energy=-3.20115786424  Egs=-1.60303119379
Kept: 498 out of 2150, ratio=0.232
Memory used: 26 MB  Time elapsed: 16 s

 ***** [NRG] Iteration 57/66 (scale 2.7939677238464355e-09) ***** 
[1] xi(56)=1 zeta(57)=0
Stats: nr=33 min=1 max=246 sum3=42402345
Safeguard: keep additional 7 states
Emax=10.8376341053 nrkept=574 nrkeptmult=1336 
Total energy=-3.20115786648  Egs=-0.801983158089
Kept: 574 out of 1857, ratio=0.309
Memory used: 26 MB  Time elapsed: 16 s

 ***** [NRG] Iteration 58/66 (scale 1.975633523948158e-09) ***** 
[1] xi(57)=1 zeta(58)=0
Stats: nr=34 min=1 max=248 sum3=64014122
Emax=10.5260693569 nrkept=498 nrkeptmult=1142 
Total energy=-3.20115786965  Egs=-1.60303120023
Kept: 498 out of 2150, ratio=0.232
Memory used: 26 MB  Time elapsed: 16 s

 ***** [NRG] Iteration 59/66 (scale 1.3969838619232178e-09) ***** 
[1] xi(58)=1 zeta(59)=0
Stats: nr=33 min=1 max=246 sum3=42402345
Safeguard: keep additional 7 states
Emax=10.8376341784 nrkept=574 nrkeptmult=1336 
Total energy=-3.20115787077  Egs=-0.801983154816
Kept: 574 out of 1857, ratio=0.309
Memory used: 26 MB  Time elapsed: 17 s

 ***** [NRG] Iteration 60/66 (scale 9.8781676197407899e-10) ***** 
[1] xi(59)=1 zeta(60)=0
Stats: nr=34 min=1 max=248 sum3=64014122
Emax=10.5260694043 nrkept=498 nrkeptmult=1142 
Total energy=-3.20115787235  Egs=-1.60303120345
Kept: 498 out of 2150, ratio=0.232
Memory used: 26 MB  Time elapsed: 17 s

 ***** [NRG] Iteration 61/66 (scale 6.9849193096160889e-10) ***** 
[1] xi(60)=1 zeta(61)=0
Stats: nr=33 min=1 max=246 sum3=42402345
Safeguard: keep additional 7 states
Emax=10.8376342149 nrkept=574 nrkeptmult=1336 
Total energy=-3.20115787291  Egs=-0.801983153179
Kept: 574 out of 1857, ratio=0.309
Memory used: 26 MB  Time elapsed: 17 s

 ***** [NRG] Iteration 62/66 (scale 4.9390838098703949e-10) ***** 
[1] xi(61)=1 zeta(62)=0
Stats: nr=34 min=1 max=248 sum3=64014122
Emax=10.5260694279 nrkept=498 nrkeptmult=1142 
Total energy=-3.2011578737  Egs=-1.60303120506
Kept: 498 out of 2150, ratio=0.232
Memory used: 26 MB  Time elapsed: 17 s

 ***** [NRG] Iteration 63/66 (scale 3.4924596548080444e-10) ***** 
[1] xi(62)=1 zeta(63)=0
Stats: nr=33 min=1 max=246 sum3=42402345
Safeguard: keep additional 7 states
Emax=10.8376342332 nrkept=574 nrkeptmult=1336 
Total energy=-3.20115787398  Egs=-0.801983152361
Kept: 574 out of 1857, ratio=0.309
Memory used: 27 MB  Time elapsed: 17 s

 ***** [NRG] Iteration 64/66 (scale 2.4695419049351975e-10) ***** 
[1] xi(63)=1 zeta(64)=0
Stats: nr=34 min=1 max=248 sum3=64014122
Emax=10.5260694398 nrkept=498 nrkeptmult=1142 
Total energy=-3.20115787438  Egs=-1.60303120587
Kept: 498 out of 2150, ratio=0.232
Memory used: 27 MB  Time elapsed: 18 s

 ***** [NRG] Iteration 65/66 (scale 1.7462298274040222e-10) ***** 
[1] xi(64)=1 zeta(65)=0
Stats: nr=33 min=1 max=246 sum3=42402345
Safeguard: keep additional 7 states
Emax=10.8376342424 nrkept=574 nrkeptmult=1336 
Total energy=-3.20115787452  Egs=-0.801983151952
Kept: 574 out of 1857, ratio=0.309
Memory used: 27 MB  Time elapsed: 18 s

 ***** [NRG] Iteration 66/66 (scale 1.2347709524675987e-10) ***** 
[1] xi(65)=1 zeta(66)=0
Stats: nr=34 min=1 max=248 sum3=64014122
Emax=10.5260694457 nrkept=498 nrkeptmult=1142 
Total energy=-3.20115787472  Egs=-1.60303120627
Kept: 498 out of 2150, ratio=0.232
Memory used: 27 MB  Time elapsed: 18 s

** Iteration completed.


Total energy:             -3.201157874717113
TKW=0.0535099552197
Grand canonical Z=              9.639636757191036
Zft (last shell)=               9.623952285359074

Memory usage report
===================
  after diag: 28368 kB
after recalc: 28460 kB
 after split: 33256 kB
  after trim: 28460 kB
 after trunc: 28424 kB
      diag_h: 28368 kB

Peak usage: 33256 kB

Timing report
=============
         All: 18 s
        diag: 15 s
       Other: 3 s
