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 13 2013 at 12:32:05

No MPI: single node calculation.

workdir=.
Tmin=1e-10 -> Nmax=66
TEMPERATURE T=1.18759861984e-10
Nmax=66
Tmin=1e-10
Ninit=0
Lambda=2
strategy=kept
lastall=0
lastalloverride=0
z=1
discretization=Z
band=flat
betabar=1
T=1.18759861984e-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=	0.01	 Gamma=	0.0006	 Delta=	0	 t=	0.
>> 
>>  Gamma^(1/2)=	0.019544100476116797
>>  Lambda=	2.	 BAND=	flat
>>  DISCRETIZATION=	Z	 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=Z 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
0.0408454617637 
(-1 2) 2 states
0.0190804505418 0.0577091822682 
(0 1) 3 states
0 0.0408454617637 0.07678963281 
(0 3) 1 states
0.0359441710463 
(1 2) 2 states
0.0190804505418 0.0577091822682 
(2 1) 1 states
0.0408454617637 
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 0.72134752044448169) ***** 
[1] xi(0)=0.755928946018 zeta(1)=0
Stats: nr=10 min=1 max=8 sum3=1055
Emax=3.03257120716 nrkept=35 nrkeptmult=64 
Total energy=-1.09126886043  Egs=-1.4619871335
Kept: 35 out of 35, ratio=1
Memory used: 3 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 2/66 (scale 0.51006972329839473) ***** 
[1] xi(1)=0.814613079963 zeta(2)=0
Stats: nr=15 min=1 max=20 sum3=30066
Emax=5.47093875606 nrkept=126 nrkeptmult=256 
Total energy=-1.39278010874  Egs=-0.591117713013
Kept: 126 out of 126, ratio=1
Memory used: 3 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 3/66 (scale 0.36067376022224085) ***** 
[1] xi(2)=0.892494029723 zeta(3)=0
Stats: nr=21 min=1 max=75 sum3=1007202
Emax=10.0036856785 nrkept=456 nrkeptmult=1014 
Total energy=-1.92419059736  Egs=-1.47338272761
Kept: 456 out of 462, ratio=0.987
Memory used: 3 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 4/66 (scale 0.25503486164919736) ***** 
[1] xi(3)=0.942104180991 zeta(4)=0
Stats: nr=28 min=1 max=206 sum3=35392418
Safeguard: keep additional 2 states
Emax=10.89441497 nrkept=1261 nrkeptmult=3043 
Total energy=-2.12427599841  Egs=-0.784541375083
Kept: 1261 out of 1694, ratio=0.744
Memory used: 8 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 5/66 (scale 0.18033688011112042) ***** 
[1] xi(4)=0.96993426226 zeta(5)=0
Stats: nr=36 min=1 max=561 sum3=561116058
Safeguard: keep additional 2 states
Emax=10.0085981982 nrkept=1685 nrkeptmult=4170 
Total energy=-2.39625901055  Egs=-1.5081940642
Kept: 1685 out of 4734, ratio=0.356
Memory used: 12 MB  Time elapsed: 1 s

 ***** [NRG] Iteration 6/66 (scale 0.12751743082459868) ***** 
[1] xi(5)=0.984675515632 zeta(6)=0
Stats: nr=42 min=1 max=647 sum3=1250923760
Safeguard: keep additional 2 states
Emax=10.8591232152 nrkept=2123 nrkeptmult=5283 
Total energy=-2.50497382876  Egs=-0.852548686941
Kept: 2123 out of 6338, ratio=0.335
Memory used: 16 MB  Time elapsed: 5 s

 ***** [NRG] Iteration 7/66 (scale 0.090168440055560212) ***** 
[1] xi(6)=0.992263204714 zeta(7)=0
Stats: nr=44 min=1 max=909 sum3=2513786264
Safeguard: keep additional 3 states
Emax=10.0337979167 nrkept=1786 nrkeptmult=4412 
Total energy=-2.64048006968  Egs=-1.50281230149
Kept: 1786 out of 8006, ratio=0.223
Memory used: 15 MB  Time elapsed: 11 s

 ***** [NRG] Iteration 8/66 (scale 0.063758715412299341) ***** 
[1] xi(7)=0.996112749408 zeta(8)=0
Stats: nr=42 min=1 max=693 sum3=1525786532
Safeguard: keep additional 2 states
Emax=10.0473546114 nrkept=2091 nrkeptmult=5209 
Total energy=-2.69687230079  Egs=-0.884463100351
Kept: 2091 out of 6722, ratio=0.311
Memory used: 16 MB  Time elapsed: 16 s

 ***** [NRG] Iteration 9/66 (scale 0.045084220027780106) ***** 
[1] xi(8)=0.998051634085 zeta(9)=0
Stats: nr=44 min=1 max=893 sum3=2392945009
Safeguard: keep additional 3 states
Emax=10.0004731414 nrkept=1674 nrkeptmult=4160 
Total energy=-2.76372871387  Egs=-1.48292269536
Kept: 1674 out of 7885, ratio=0.212
Memory used: 15 MB  Time elapsed: 22 s

 ***** [NRG] Iteration 10/66 (scale 0.031879357706149671) ***** 
[1] xi(9)=0.99902462843 zeta(10)=0
Stats: nr=42 min=1 max=656 sum3=1280298058
Emax=10.0601763987 nrkept=1873 nrkeptmult=4641 
Total energy=-2.79264237885  Egs=-0.906971377609
Kept: 1873 out of 6322, ratio=0.296
Memory used: 15 MB  Time elapsed: 26 s

 ***** [NRG] Iteration 11/66 (scale 0.022542110013890053) ***** 
[1] xi(10)=0.999512016628 zeta(11)=0
Stats: nr=42 min=1 max=815 sum3=1779247980
Safeguard: keep additional 4 states
Emax=10.0067854061 nrkept=1635 nrkeptmult=4054 
Total energy=-2.82554287339  Egs=-1.45951264197
Kept: 1635 out of 7056, ratio=0.232
Memory used: 15 MB  Time elapsed: 31 s

 ***** [NRG] Iteration 12/66 (scale 0.015939678853074835) ***** 
[1] xi(11)=0.999755933863 zeta(12)=0
Stats: nr=42 min=1 max=638 sum3=1179854376
Emax=10.0215953829 nrkept=1737 nrkeptmult=4323 
Total energy=-2.84029345798  Egs=-0.92540036241
Kept: 1737 out of 6168, ratio=0.282
Memory used: 15 MB  Time elapsed: 35 s

 ***** [NRG] Iteration 13/66 (scale 0.011271055006945026) ***** 
[1] xi(12)=0.999877948312 zeta(13)=0
Stats: nr=42 min=1 max=757 sum3=1424611469
Safeguard: keep additional 1 states
Emax=10.0077805818 nrkept=1560 nrkeptmult=3846 
Total energy=-2.85649439858  Egs=-1.43739344619
Kept: 1560 out of 6545, ratio=0.238
Memory used: 14 MB  Time elapsed: 39 s

 ***** [NRG] Iteration 14/66 (scale 0.0079698394265374176) ***** 
[1] xi(13)=0.9999389695 zeta(14)=0
Stats: nr=42 min=1 max=611 sum3=1031149072
Safeguard: keep additional 1 states
Emax=10.0004411819 nrkept=1674 nrkeptmult=4152 
Total energy=-2.86398824165  Egs=-0.940275288865
Kept: 1674 out of 5878, ratio=0.285
Memory used: 15 MB  Time elapsed: 43 s

 ***** [NRG] Iteration 15/66 (scale 0.0056355275034725132) ***** 
[1] xi(14)=0.999969483586 zeta(15)=0
Stats: nr=42 min=1 max=726 sum3=1263673143
Safeguard: keep additional 3 states
Emax=10.0168282038 nrkept=1474 nrkeptmult=3656 
Total energy=-2.87197987274  Egs=-1.41808039901
Kept: 1474 out of 6297, ratio=0.234
Memory used: 15 MB  Time elapsed: 46 s

 ***** [NRG] Iteration 16/66 (scale 0.0039849197132687088) ***** 
[1] xi(15)=0.999984741502 zeta(16)=0
Stats: nr=40 min=1 max=578 sum3=886802886
Emax=10.001432687 nrkept=1479 nrkeptmult=3631 
Total energy=-2.87577724589  Egs=-0.952935924427
Kept: 1479 out of 5550, ratio=0.266
Memory used: 14 MB  Time elapsed: 49 s

 ***** [NRG] Iteration 17/66 (scale 0.0028177637517362566) ***** 
[1] xi(16)=0.999992370678 zeta(17)=0
Stats: nr=40 min=1 max=657 sum3=901213741
Safeguard: keep additional 2 states
Emax=10.0017085212 nrkept=1254 nrkeptmult=3100 
Total energy=-2.87972285099  Egs=-1.40026114663
Kept: 1254 out of 5569, ratio=0.225
Memory used: 14 MB  Time elapsed: 52 s

 ***** [NRG] Iteration 18/66 (scale 0.0019924598566343544) ***** 
[1] xi(17)=0.999996185321 zeta(18)=0
Stats: nr=40 min=1 max=498 sum3=560551914
Safeguard: keep additional 2 states
Emax=10.0021285451 nrkept=1263 nrkeptmult=3111 
Total energy=-2.88164755881  Egs=-0.965995785279
Kept: 1263 out of 4722, ratio=0.267
Memory used: 15 MB  Time elapsed: 54 s

 ***** [NRG] Iteration 19/66 (scale 0.0014088818758681283) ***** 
[1] xi(18)=0.999998092656 zeta(19)=0
Stats: nr=34 min=1 max=567 sum3=584111705
Safeguard: keep additional 2 states
Emax=10.0199415929 nrkept=1076 nrkeptmult=2694 
Total energy=-2.88359379688  Egs=-1.38140613758
Kept: 1076 out of 4757, ratio=0.226
Memory used: 14 MB  Time elapsed: 56 s

 ***** [NRG] Iteration 20/66 (scale 0.0009962299283171772) ***** 
[1] xi(19)=0.999999046327 zeta(20)=0
Stats: nr=40 min=1 max=432 sum3=363636054
Safeguard: keep additional 4 states
Emax=10.0018520895 nrkept=1071 nrkeptmult=2695 
Total energy=-2.88457179119  Egs=-0.981695369478
Kept: 1071 out of 4062, ratio=0.264
Memory used: 14 MB  Time elapsed: 57 s

 ***** [NRG] Iteration 21/66 (scale 0.00070444093793406415) ***** 
[1] xi(20)=0.999999523163 zeta(21)=0
Stats: nr=34 min=1 max=478 sum3=355758907
Safeguard: keep additional 2 states
Emax=10.0011690254 nrkept=867 nrkeptmult=2226 
Total energy=-2.88552944971  Egs=-1.35945892781
Kept: 867 out of 4045, ratio=0.214
Memory used: 15 MB  Time elapsed: 58 s

 ***** [NRG] Iteration 22/66 (scale 0.0004981149641585886) ***** 
[1] xi(21)=0.999999761581 zeta(22)=0
Stats: nr=40 min=1 max=357 sum3=194176632
Safeguard: keep additional 1 states
Emax=10.0030083137 nrkept=925 nrkeptmult=2353 
Total energy=-2.88602823057  Egs=-1.00133683151
Kept: 925 out of 3288, ratio=0.281
Memory used: 14 MB  Time elapsed: 59 s

 ***** [NRG] Iteration 23/66 (scale 0.00035222046896703208) ***** 
[1] xi(22)=0.999999880791 zeta(23)=0
Stats: nr=34 min=1 max=419 sum3=237898893
Safeguard: keep additional 1 states
Emax=10.0042496656 nrkept=834 nrkeptmult=2140 
Total energy=-2.88649776682  Egs=-1.3330748421
Kept: 834 out of 3501, ratio=0.238
Memory used: 15 MB  Time elapsed: 60 s

 ***** [NRG] Iteration 24/66 (scale 0.0002490574820792943) ***** 
[1] xi(23)=0.999999940395 zeta(24)=0
Stats: nr=40 min=1 max=344 sum3=172229822
Safeguard: keep additional 1 states
Emax=10.0105523097 nrkept=874 nrkeptmult=2196 
Total energy=-2.88675327173  Egs=-1.02588733192
Kept: 874 out of 3158, ratio=0.277
Memory used: 14 MB  Time elapsed: 60 s

 ***** [NRG] Iteration 25/66 (scale 0.00017611023448351604) ***** 
[1] xi(24)=0.999999970198 zeta(25)=0
Stats: nr=34 min=1 max=400 sum3=202383877
Emax=10.0085953513 nrkept=815 nrkeptmult=2082 
Total energy=-2.88698241268  Egs=-1.30112223693
Kept: 815 out of 3301, ratio=0.247
Memory used: 15 MB  Time elapsed: 61 s

 ***** [NRG] Iteration 26/66 (scale 0.00012452874103964715) ***** 
[1] xi(25)=0.999999985099 zeta(26)=0
Stats: nr=40 min=1 max=333 sum3=160498672
Safeguard: keep additional 1 states
Emax=10.0066101651 nrkept=846 nrkeptmult=2112 
Total energy=-2.88711397929  Egs=-1.05651603471
Kept: 846 out of 3082, ratio=0.274
Memory used: 14 MB  Time elapsed: 62 s

 ***** [NRG] Iteration 27/66 (scale 8.8055117241758019e-05) ***** 
[1] xi(26)=0.999999992549 zeta(27)=0
Stats: nr=34 min=1 max=388 sum3=184673379
Safeguard: keep additional 2 states
Emax=10.0144214904 nrkept=812 nrkeptmult=2078 
Total energy=-2.88722513643  Egs=-1.2623586235
Kept: 812 out of 3189, ratio=0.255
Memory used: 15 MB  Time elapsed: 62 s

 ***** [NRG] Iteration 28/66 (scale 6.2264370519823575e-05) ***** 
[1] xi(27)=0.999999996275 zeta(28)=0
Stats: nr=40 min=1 max=332 sum3=158201808
Safeguard: keep additional 2 states
Emax=10.0040497687 nrkept=834 nrkeptmult=2080 
Total energy=-2.88729330226  Egs=-1.09478079415
Kept: 834 out of 3072, ratio=0.271
Memory used: 15 MB  Time elapsed: 63 s

 ***** [NRG] Iteration 29/66 (scale 4.402755862087901e-05) ***** 
[1] xi(28)=0.999999998137 zeta(29)=0
Stats: nr=34 min=1 max=384 sum3=177231481
Safeguard: keep additional 4 states
Emax=10.0111633249 nrkept=809 nrkeptmult=2072 
Total energy=-2.88734681533  Egs=-1.2154448417
Kept: 809 out of 3145, ratio=0.257
Memory used: 16 MB  Time elapsed: 63 s

 ***** [NRG] Iteration 30/66 (scale 3.1132185259911788e-05) ***** 
[1] xi(29)=0.999999999069 zeta(30)=0
Stats: nr=40 min=1 max=331 sum3=156000882
Safeguard: keep additional 2 states
Emax=10.0154805812 nrkept=810 nrkeptmult=2010 
Total energy=-2.88738238559  Egs=-1.14255568001
Kept: 810 out of 3060, ratio=0.265
Memory used: 15 MB  Time elapsed: 64 s

 ***** [NRG] Iteration 31/66 (scale 2.2013779310439505e-05) ***** 
[1] xi(30)=0.999999999534 zeta(31)=0
Stats: nr=34 min=1 max=374 sum3=161804558
Emax=10.0029664969 nrkept=801 nrkeptmult=2056 
Total energy=-2.88740790712  Egs=-1.15934377623
Kept: 801 out of 3050, ratio=0.263
Memory used: 15 MB  Time elapsed: 65 s

 ***** [NRG] Iteration 32/66 (scale 1.5566092629955894e-05) ***** 
[1] xi(31)=0.999999999767 zeta(32)=0
Stats: nr=40 min=1 max=329 sum3=151589632
Safeguard: keep additional 1 states
Emax=10.0069424996 nrkept=776 nrkeptmult=1948 
Total energy=-2.88742661089  Egs=-1.20157119075
Kept: 776 out of 3028, ratio=0.256
Memory used: 15 MB  Time elapsed: 65 s

 ***** [NRG] Iteration 33/66 (scale 1.1006889655219752e-05) ***** 
[1] xi(32)=0.999999999884 zeta(33)=0
Stats: nr=34 min=1 max=358 sum3=143068099
Safeguard: keep additional 3 states
Emax=10.0038283443 nrkept=797 nrkeptmult=2022 
Total energy=-2.88743865604  Egs=-1.09432807098
Kept: 797 out of 2929, ratio=0.272
Memory used: 15 MB  Time elapsed: 66 s

 ***** [NRG] Iteration 34/66 (scale 7.7830463149779469e-06) ***** 
[1] xi(33)=0.999999999942 zeta(34)=0
Stats: nr=38 min=1 max=326 sum3=149796164
Safeguard: keep additional 2 states
Emax=10.0331000425 nrkept=767 nrkeptmult=1931 
Total energy=-2.88744855736  Egs=-1.27216510724
Kept: 767 out of 3008, ratio=0.255
Memory used: 15 MB  Time elapsed: 66 s

 ***** [NRG] Iteration 35/66 (scale 5.5034448276098762e-06) ***** 
[1] xi(34)=0.999999999971 zeta(35)=0
Stats: nr=34 min=1 max=351 sum3=136794230
Safeguard: keep additional 1 states
Emax=10.0000451175 nrkept=774 nrkeptmult=1944 
Total energy=-2.8874541912  Egs=-1.02369334203
Kept: 774 out of 2894, ratio=0.267
Memory used: 15 MB  Time elapsed: 67 s

 ***** [NRG] Iteration 36/66 (scale 3.8915231574889735e-06) ***** 
[1] xi(35)=0.999999999985 zeta(36)=0
Stats: nr=38 min=1 max=321 sum3=142008010
Safeguard: keep additional 3 states
Emax=10.0148288747 nrkept=746 nrkeptmult=1878 
Total energy=-2.88745944858  Egs=-1.35098213095
Kept: 746 out of 2920, ratio=0.255
Memory used: 15 MB  Time elapsed: 67 s

 ***** [NRG] Iteration 37/66 (scale 2.7517224138049381e-06) ***** 
[1] xi(36)=0.999999999993 zeta(37)=0
Stats: nr=34 min=1 max=341 sum3=125836593
Safeguard: keep additional 1 states
Emax=10.0069930093 nrkept=750 nrkeptmult=1882 
Total energy=-2.88746207641  Egs=-0.954977919861
Kept: 750 out of 2817, ratio=0.266
Memory used: 15 MB  Time elapsed: 68 s

 ***** [NRG] Iteration 38/66 (scale 1.9457615787444867e-06) ***** 
[1] xi(37)=0.999999999996 zeta(38)=0
Stats: nr=38 min=1 max=313 sum3=130139838
Safeguard: keep additional 2 states
Emax=10.0097142027 nrkept=691 nrkeptmult=1707 
Total energy=-2.8874648571  Egs=-1.42910072325
Kept: 691 out of 2832, ratio=0.244
Memory used: 16 MB  Time elapsed: 68 s

 ***** [NRG] Iteration 39/66 (scale 1.3758612069024691e-06) ***** 
[1] xi(38)=0.999999999998 zeta(39)=0
Stats: nr=33 min=1 max=324 sum3=105704523
Safeguard: keep additional 3 states
Emax=10.0204186796 nrkept=709 nrkeptmult=1744 
Total energy=-2.88746609206  Egs=-0.897587277031
Kept: 709 out of 2607, ratio=0.272
Memory used: 16 MB  Time elapsed: 69 s

 ***** [NRG] Iteration 40/66 (scale 9.7288078937224336e-07) ***** 
[1] xi(39)=0.999999999999 zeta(40)=0
Stats: nr=36 min=1 max=296 sum3=113592734
Emax=10.0020747678 nrkept=629 nrkeptmult=1531 
Total energy=-2.88746754634  Egs=-1.49482105323
Kept: 629 out of 2672, ratio=0.235
Memory used: 15 MB  Time elapsed: 69 s

 ***** [NRG] Iteration 41/66 (scale 6.8793060345123453e-07) ***** 
[1] xi(40)=1 zeta(41)=0
Stats: nr=33 min=1 max=301 sum3=81501084
Safeguard: keep additional 1 states
Emax=10.0016209984 nrkept=654 nrkeptmult=1582 
Total energy=-2.88746813582  Egs=-0.856887197996
Kept: 654 out of 2370, ratio=0.276
Memory used: 16 MB  Time elapsed: 69 s

 ***** [NRG] Iteration 42/66 (scale 4.8644039468612168e-07) ***** 
[1] xi(41)=1 zeta(42)=0
Stats: nr=36 min=1 max=275 sum3=90638818
Safeguard: keep additional 2 states
Emax=10.0595388431 nrkept=581 nrkeptmult=1383 
Total energy=-2.88746888557  Egs=-1.5412941892
Kept: 581 out of 2458, ratio=0.236
Memory used: 15 MB  Time elapsed: 70 s

 ***** [NRG] Iteration 43/66 (scale 3.4396530172561726e-07) ***** 
[1] xi(42)=1 zeta(43)=0
Stats: nr=33 min=1 max=283 sum3=65536626
Safeguard: keep additional 2 states
Emax=10.0010893062 nrkept=587 nrkeptmult=1396 
Total energy=-2.88746917164  Egs=-0.831698590495
Kept: 587 out of 2178, ratio=0.27
Memory used: 16 MB  Time elapsed: 70 s

 ***** [NRG] Iteration 44/66 (scale 2.4322019734306084e-07) ***** 
[1] xi(43)=1 zeta(44)=0
Stats: nr=36 min=1 max=250 sum3=66305070
Emax=10.0059877895 nrkept=523 nrkeptmult=1227 
Total energy=-2.88746955346  Egs=-1.56982074947
Kept: 523 out of 2202, ratio=0.238
Memory used: 17 MB  Time elapsed: 70 s

 ***** [NRG] Iteration 45/66 (scale 1.7198265086280863e-07) ***** 
[1] xi(44)=1 zeta(45)=0
Stats: nr=33 min=1 max=257 sum3=48651854
Emax=10.1095201712 nrkept=567 nrkeptmult=1322 
Total energy=-2.88746969405  Egs=-0.817492062362
Kept: 567 out of 1958, ratio=0.29
Memory used: 17 MB  Time elapsed: 70 s

 ***** [NRG] Iteration 46/66 (scale 1.2161009867153042e-07) ***** 
[1] xi(45)=1 zeta(46)=0
Stats: nr=34 min=1 max=244 sum3=61218744
Safeguard: keep additional 1 states
Emax=10.0520904098 nrkept=501 nrkeptmult=1157 
Total energy=-2.8874698869  Egs=-1.58577360909
Kept: 501 out of 2124, ratio=0.236
Memory used: 17 MB  Time elapsed: 71 s

 ***** [NRG] Iteration 47/66 (scale 8.5991325431404316e-08) ***** 
[1] xi(46)=1 zeta(47)=0
Stats: nr=33 min=1 max=245 sum3=42665008
Emax=10.5621589123 nrkept=567 nrkeptmult=1322 
Total energy=-2.88746995654  Egs=-0.80991358329
Kept: 567 out of 1870, ratio=0.303
Memory used: 17 MB  Time elapsed: 71 s

 ***** [NRG] Iteration 48/66 (scale 6.080504933576521e-08) ***** 
[1] xi(47)=1 zeta(48)=0
Stats: nr=34 min=1 max=244 sum3=61218744
Safeguard: keep additional 1 states
Emax=10.2628471749 nrkept=499 nrkeptmult=1149 
Total energy=-2.88747005348  Egs=-1.5942300392
Kept: 499 out of 2124, ratio=0.235
Memory used: 17 MB  Time elapsed: 71 s

 ***** [NRG] Iteration 49/66 (scale 4.2995662715702158e-08) ***** 
[1] xi(48)=1 zeta(49)=0
Stats: nr=33 min=1 max=245 sum3=42367736
Emax=10.6967864063 nrkept=567 nrkeptmult=1322 
Total energy=-2.88747008813  Egs=-0.805994230548
Kept: 567 out of 1862, ratio=0.305
Memory used: 17 MB  Time elapsed: 71 s

 ***** [NRG] Iteration 50/66 (scale 3.0402524667882605e-08) ***** 
[1] xi(49)=1 zeta(50)=0
Stats: nr=34 min=1 max=244 sum3=61218744
Safeguard: keep additional 1 states
Emax=10.4370822904 nrkept=499 nrkeptmult=1149 
Total energy=-2.88747013673  Egs=-1.59858630973
Kept: 499 out of 2124, ratio=0.235
Memory used: 17 MB  Time elapsed: 72 s

 ***** [NRG] Iteration 51/66 (scale 2.1497831357851079e-08) ***** 
[1] xi(50)=1 zeta(51)=0
Stats: nr=33 min=1 max=245 sum3=42367736
Emax=10.7684721182 nrkept=567 nrkeptmult=1322 
Total energy=-2.88747015402  Egs=-0.804000407582
Kept: 567 out of 1862, ratio=0.305
Memory used: 17 MB  Time elapsed: 72 s

 ***** [NRG] Iteration 52/66 (scale 1.5201262333941303e-08) ***** 
[1] xi(51)=1 zeta(52)=0
Stats: nr=34 min=1 max=244 sum3=61218744
Emax=10.5052965993 nrkept=498 nrkeptmult=1142 
Total energy=-2.88747017835  Egs=-1.60079752329
Kept: 498 out of 2124, ratio=0.234
Memory used: 17 MB  Time elapsed: 72 s

 ***** [NRG] Iteration 53/66 (scale 1.0748915678925539e-08) ***** 
[1] xi(52)=1 zeta(53)=0
Stats: nr=33 min=1 max=246 sum3=42402345
Emax=10.8051527974 nrkept=567 nrkeptmult=1322 
Total energy=-2.88747018698  Egs=-0.802994741248
Kept: 567 out of 1857, ratio=0.305
Memory used: 18 MB  Time elapsed: 72 s

 ***** [NRG] Iteration 54/66 (scale 7.6006311669706513e-09) ***** 
[1] xi(53)=1 zeta(54)=0
Stats: nr=34 min=1 max=244 sum3=61218744
Emax=10.5156349632 nrkept=498 nrkeptmult=1142 
Total energy=-2.88747019916  Egs=-1.60191153642
Kept: 498 out of 2124, ratio=0.234
Memory used: 18 MB  Time elapsed: 72 s

 ***** [NRG] Iteration 55/66 (scale 5.3744578394627697e-09) ***** 
[1] xi(54)=1 zeta(55)=0
Stats: nr=33 min=1 max=246 sum3=42402345
Emax=10.8235663862 nrkept=567 nrkeptmult=1322 
Total energy=-2.88747020347  Egs=-0.802489690958
Kept: 567 out of 1857, ratio=0.305
Memory used: 18 MB  Time elapsed: 72 s

 ***** [NRG] Iteration 56/66 (scale 3.8003155834853256e-09) ***** 
[1] xi(55)=1 zeta(56)=0
Stats: nr=34 min=1 max=244 sum3=61218744
Emax=10.5208411132 nrkept=498 nrkeptmult=1142 
Total energy=-2.88747020956  Egs=-1.60247066192
Kept: 498 out of 2124, ratio=0.234
Memory used: 18 MB  Time elapsed: 73 s

 ***** [NRG] Iteration 57/66 (scale 2.6872289197313849e-09) ***** 
[1] xi(56)=1 zeta(57)=0
Stats: nr=33 min=1 max=246 sum3=42402345
Emax=10.8316534334 nrkept=567 nrkeptmult=1324 
Total energy=-2.88747021172  Egs=-0.80223660791
Kept: 567 out of 1857, ratio=0.305
Memory used: 18 MB  Time elapsed: 73 s

 ***** [NRG] Iteration 58/66 (scale 1.9001577917426628e-09) ***** 
[1] xi(57)=1 zeta(58)=0
Stats: nr=34 min=1 max=243 sum3=60833952
Emax=10.5234643031 nrkept=498 nrkeptmult=1142 
Total energy=-2.88747021476  Egs=-1.60275075658
Kept: 498 out of 2124, ratio=0.234
Memory used: 18 MB  Time elapsed: 73 s

 ***** [NRG] Iteration 59/66 (scale 1.3436144598656924e-09) ***** 
[1] xi(58)=1 zeta(59)=0
Stats: nr=33 min=1 max=246 sum3=42402345
Emax=10.8346528801 nrkept=567 nrkeptmult=1324 
Total energy=-2.88747021584  Egs=-0.802109926455
Kept: 567 out of 1857, ratio=0.305
Memory used: 18 MB  Time elapsed: 73 s

 ***** [NRG] Iteration 60/66 (scale 9.5007889587133141e-10) ***** 
[1] xi(59)=1 zeta(60)=0
Stats: nr=34 min=1 max=243 sum3=60833952
Emax=10.5247732893 nrkept=498 nrkeptmult=1142 
Total energy=-2.88747021736  Egs=-1.60289093716
Kept: 498 out of 2124, ratio=0.234
Memory used: 18 MB  Time elapsed: 73 s

 ***** [NRG] Iteration 61/66 (scale 6.7180722993284622e-10) ***** 
[1] xi(60)=1 zeta(61)=0
Stats: nr=33 min=1 max=246 sum3=42402345
Emax=10.8361502269 nrkept=567 nrkeptmult=1324 
Total energy=-2.8874702179  Egs=-0.802046550688
Kept: 567 out of 1857, ratio=0.305
Memory used: 18 MB  Time elapsed: 74 s

 ***** [NRG] Iteration 62/66 (scale 4.750394479356657e-10) ***** 
[1] xi(61)=1 zeta(62)=0
Stats: nr=34 min=1 max=243 sum3=60833952
Emax=10.5254283843 nrkept=498 nrkeptmult=1142 
Total energy=-2.88747021866  Egs=-1.60296106079
Kept: 498 out of 2124, ratio=0.234
Memory used: 18 MB  Time elapsed: 74 s

 ***** [NRG] Iteration 63/66 (scale 3.3590361496642311e-10) ***** 
[1] xi(62)=1 zeta(63)=0
Stats: nr=33 min=1 max=246 sum3=42402345
Emax=10.8368983073 nrkept=567 nrkeptmult=1324 
Total energy=-2.88747021893  Egs=-0.802014854038
Kept: 567 out of 1857, ratio=0.305
Memory used: 18 MB  Time elapsed: 74 s

 ***** [NRG] Iteration 64/66 (scale 2.3751972396783285e-10) ***** 
[1] xi(63)=1 zeta(64)=0
Stats: nr=34 min=1 max=243 sum3=60833952
Emax=10.5257560825 nrkept=498 nrkeptmult=1142 
Total energy=-2.88747021931  Egs=-1.60299613095
Kept: 498 out of 2124, ratio=0.234
Memory used: 18 MB  Time elapsed: 74 s

 ***** [NRG] Iteration 65/66 (scale 1.6795180748321155e-10) ***** 
[1] xi(64)=1 zeta(65)=0
Stats: nr=33 min=1 max=246 sum3=42402345
Emax=10.8372722008 nrkept=567 nrkeptmult=1324 
Total energy=-2.88747021945  Egs=-0.801999003521
Kept: 567 out of 1857, ratio=0.305
Memory used: 18 MB  Time elapsed: 74 s

 ***** [NRG] Iteration 66/66 (scale 1.1875986198391643e-10) ***** 
[1] xi(65)=1 zeta(66)=0
Stats: nr=34 min=1 max=243 sum3=60833952
Emax=10.5259199693 nrkept=498 nrkeptmult=1142 
Total energy=-2.88747021964  Egs=-1.60301366812
Kept: 498 out of 2124, ratio=0.234
Memory used: 18 MB  Time elapsed: 75 s

** Iteration completed.


Total energy:             -2.887470219639447
TKW=1.14936349115e-06
Grand canonical Z=              9.640007779602218
Zft (last shell)=               9.624306778336031

Memory usage report
===================
  after diag: 64884 kB
after recalc: 22588 kB
 after split: 85944 kB
  after trim: 19144 kB
 after trunc: 65076 kB
      diag_h: 64884 kB

Peak usage: 85944 kB

Timing report
=============
         All: 75 s
        diag: 74 s
       Other: 1 s
