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=1.18759861984e-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=8
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=20
dumpscaled=1
dumpabs=0
dumpprecision=8
dumpgroups=0
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=	0.015	 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=8 Nmax=66 channels=1 dots=1 betabar=1

Number of invariant subspaces: 6
(-2 1) 1 states
0.0285618866182 
(-1 2) 2 states
0.0136878968895 0.0532384577816 
(0 1) 3 states
0 0.0426376318085 0.0822583537849 
(0 3) 1 states
0.0383644680529 
(1 2) 2 states
0.0266466017969 0.0696874971783 
(2 1) 1 states
0.0579696309223 
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=3.0671943979 nrkept=35 nrkeptmult=64 
Total energy=-1.08626261018  Egs=-1.47241859557
Kept: 35 out of 35, ratio=1
Memory used: 4 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=5.48804315459 nrkept=126 nrkeptmult=256 
Total energy=-1.38143244408  Egs=-0.578685266775
Kept: 126 out of 126, ratio=1
Memory used: 4 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
Safeguard: keep additional 1 states
Emax=8.00251118814 nrkept=395 nrkeptmult=887 
Total energy=-1.91917439858  Egs=-1.4909372785
Kept: 395 out of 462, ratio=0.855
Memory used: 4 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=175 sum3=21745182
Emax=8.06691016013 nrkept=715 nrkeptmult=1698 
Total energy=-2.1139952145  Egs=-0.763898765309
Kept: 715 out of 1470, ratio=0.486
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=33 min=2 max=333 sum3=112070562
Safeguard: keep additional 2 states
Emax=8.00957109082 nrkept=830 nrkeptmult=1984 
Total energy=-2.3912254908  Egs=-1.53729107504
Kept: 830 out of 2682, ratio=0.309
Memory used: 13 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 6/66 (scale 0.12751743082459868) ***** 
[1] xi(5)=0.984675515632 zeta(6)=0
Stats: nr=38 min=1 max=349 sum3=175904863
Emax=8.03193819622 nrkept=849 nrkeptmult=2018 
Total energy=-2.4957527092  Egs=-0.819709256477
Kept: 849 out of 3121, ratio=0.272
Memory used: 15 MB  Time elapsed: 1 s

 ***** [NRG] Iteration 7/66 (scale 0.090168440055560212) ***** 
[1] xi(6)=0.992263204714 zeta(7)=0
Stats: nr=33 min=2 max=397 sum3=190001532
Emax=8.01306218607 nrkept=815 nrkeptmult=1946 
Total energy=-2.63541715472  Egs=-1.54892826611
Kept: 815 out of 3186, ratio=0.256
Memory used: 17 MB  Time elapsed: 1 s

 ***** [NRG] Iteration 8/66 (scale 0.063758715412299341) ***** 
[1] xi(7)=0.996112749408 zeta(8)=0
Stats: nr=38 min=1 max=340 sum3=164008616
Emax=8.02955339784 nrkept=849 nrkeptmult=2018 
Total energy=-2.68866890001  Egs=-0.835207311664
Kept: 849 out of 3062, ratio=0.277
Memory used: 19 MB  Time elapsed: 2 s

 ***** [NRG] Iteration 9/66 (scale 0.045084220027780106) ***** 
[1] xi(8)=0.998051634085 zeta(9)=0
Stats: nr=33 min=2 max=397 sum3=190001532
Emax=8.01628693644 nrkept=815 nrkeptmult=1946 
Total energy=-2.75862112758  Egs=-1.55159005802
Kept: 815 out of 3186, ratio=0.256
Memory used: 20 MB  Time elapsed: 2 s

 ***** [NRG] Iteration 10/66 (scale 0.031879357706149671) ***** 
[1] xi(9)=0.99902462843 zeta(10)=0
Stats: nr=38 min=1 max=340 sum3=164008616
Emax=8.04253083073 nrkept=849 nrkeptmult=2018 
Total energy=-2.78534143778  Egs=-0.838169653387
Kept: 849 out of 3062, ratio=0.277
Memory used: 20 MB  Time elapsed: 3 s

 ***** [NRG] Iteration 11/66 (scale 0.022542110013890053) ***** 
[1] xi(10)=0.999512016628 zeta(11)=0
Stats: nr=33 min=2 max=397 sum3=190001532
Emax=8.01226467839 nrkept=725 nrkeptmult=1725 
Total energy=-2.82037914148  Egs=-1.55432227418
Kept: 725 out of 3186, ratio=0.228
Memory used: 21 MB  Time elapsed: 3 s

 ***** [NRG] Iteration 12/66 (scale 0.015939678853074835) ***** 
[1] xi(11)=0.999755933863 zeta(12)=0
Stats: nr=37 min=1 max=311 sum3=120565779
Emax=8.08130210194 nrkept=753 nrkeptmult=1794 
Total energy=-2.83371279479  Egs=-0.83650702304
Kept: 753 out of 2721, ratio=0.277
Memory used: 20 MB  Time elapsed: 4 s

 ***** [NRG] Iteration 13/66 (scale 0.011271055006945026) ***** 
[1] xi(12)=0.999877948312 zeta(13)=0
Stats: nr=33 min=1 max=356 sum3=135748578
Emax=8.00300510673 nrkept=610 nrkeptmult=1427 
Total energy=-2.85127619932  Egs=-1.55827511461
Kept: 610 out of 2826, ratio=0.216
Memory used: 20 MB  Time elapsed: 4 s

 ***** [NRG] Iteration 14/66 (scale 0.0079698394265374176) ***** 
[1] xi(13)=0.9999389695 zeta(14)=0
Stats: nr=34 min=1 max=273 sum3=73915988
Emax=8.00079852663 nrkept=534 nrkeptmult=1236 
Total energy=-2.85791851977  Egs=-0.833432154994
Kept: 534 out of 2282, ratio=0.234
Memory used: 22 MB  Time elapsed: 5 s

 ***** [NRG] Iteration 15/66 (scale 0.0056355275034725132) ***** 
[1] xi(14)=0.999969483586 zeta(15)=0
Stats: nr=32 min=1 max=262 sum3=52670537
Emax=8.01855188794 nrkept=444 nrkeptmult=1033 
Total energy=-2.86672183031  Egs=-1.56210940907
Kept: 444 out of 1997, ratio=0.222
Memory used: 22 MB  Time elapsed: 5 s

 ***** [NRG] Iteration 16/66 (scale 0.0039849197132687088) ***** 
[1] xi(15)=0.999984741502 zeta(16)=0
Stats: nr=31 min=1 max=211 sum3=30471996
Emax=8.00058311955 nrkept=414 nrkeptmult=964 
Total energy=-2.87003225507  Egs=-0.830738133251
Kept: 414 out of 1662, ratio=0.249
Memory used: 21 MB  Time elapsed: 5 s

 ***** [NRG] Iteration 17/66 (scale 0.0028177637517362566) ***** 
[1] xi(16)=0.999992370678 zeta(17)=0
Stats: nr=32 min=1 max=198 sum3=25032372
Emax=8.00773989509 nrkept=327 nrkeptmult=743 
Total energy=-2.87444154009  Egs=-1.564817143
Kept: 327 out of 1548, ratio=0.211
Memory used: 22 MB  Time elapsed: 5 s

 ***** [NRG] Iteration 18/66 (scale 0.0019924598566343544) ***** 
[1] xi(17)=0.999996185321 zeta(18)=0
Stats: nr=29 min=1 max=166 sum3=13096452
Emax=8.0107014141 nrkept=285 nrkeptmult=634 
Total energy=-2.87609328661  Egs=-0.828998643957
Kept: 285 out of 1218, ratio=0.234
Memory used: 22 MB  Time elapsed: 5 s

 ***** [NRG] Iteration 19/66 (scale 0.0014088818758681283) ***** 
[1] xi(18)=0.999998092656 zeta(19)=0
Stats: nr=25 min=2 max=142 sum3=9474354
Emax=8.01603021763 nrkept=256 nrkeptmult=574 
Total energy=-2.87830014912  Egs=-1.56639285605
Kept: 256 out of 1062, ratio=0.241
Memory used: 22 MB  Time elapsed: 5 s

 ***** [NRG] Iteration 20/66 (scale 0.0009962299283171772) ***** 
[1] xi(19)=0.999999046327 zeta(20)=0
Stats: nr=29 min=1 max=137 sum3=6791874
Emax=8.02936267339 nrkept=233 nrkeptmult=514 
Total energy=-2.87912506264  Egs=-0.828035277664
Kept: 233 out of 954, ratio=0.244
Memory used: 22 MB  Time elapsed: 5 s

 ***** [NRG] Iteration 21/66 (scale 0.00070444093793406415) ***** 
[1] xi(20)=0.999999523163 zeta(21)=0
Stats: nr=25 min=2 max=111 sum3=5209269
Emax=8.02926894976 nrkept=252 nrkeptmult=566 
Total energy=-2.88022908227  Egs=-1.56722809156
Kept: 252 out of 867, ratio=0.291
Memory used: 22 MB  Time elapsed: 5 s

 ***** [NRG] Iteration 22/66 (scale 0.0004981149641585886) ***** 
[1] xi(21)=0.999999761581 zeta(22)=0
Stats: nr=29 min=1 max=135 sum3=6479902
Emax=8.01312895502 nrkept=232 nrkeptmult=512 
Total energy=-2.88064128992  Egs=-0.827535174097
Kept: 232 out of 940, ratio=0.247
Memory used: 22 MB  Time elapsed: 5 s

 ***** [NRG] Iteration 23/66 (scale 0.00035222046896703208) ***** 
[1] xi(22)=0.999999880791 zeta(23)=0
Stats: nr=25 min=2 max=110 sum3=5084291
Emax=8.03755138211 nrkept=252 nrkeptmult=566 
Total energy=-2.88119345007  Egs=-1.56765490784
Kept: 252 out of 863, ratio=0.292
Memory used: 23 MB  Time elapsed: 5 s

 ***** [NRG] Iteration 24/66 (scale 0.0002490574820792943) ***** 
[1] xi(23)=0.999999940395 zeta(24)=0
Stats: nr=29 min=1 max=135 sum3=6479902
Emax=8.0193372675 nrkept=232 nrkeptmult=512 
Total energy=-2.88139949074  Egs=-0.827281608579
Kept: 232 out of 940, ratio=0.247
Memory used: 23 MB  Time elapsed: 6 s

 ***** [NRG] Iteration 25/66 (scale 0.00017611023448351604) ***** 
[1] xi(24)=0.999999970198 zeta(25)=0
Stats: nr=25 min=2 max=110 sum3=5084291
Safeguard: keep additional 1 states
Emax=8.00414038977 nrkept=248 nrkeptmult=556 
Total energy=-2.88167560872  Egs=-1.5678701394
Kept: 248 out of 863, ratio=0.287
Memory used: 23 MB  Time elapsed: 6 s

 ***** [NRG] Iteration 26/66 (scale 0.00012452874103964715) ***** 
[1] xi(25)=0.999999985099 zeta(26)=0
Stats: nr=29 min=1 max=132 sum3=6151291
Emax=8.02227771444 nrkept=232 nrkeptmult=512 
Total energy=-2.88177861318  Egs=-0.827154118643
Kept: 232 out of 925, ratio=0.251
Memory used: 23 MB  Time elapsed: 6 s

 ***** [NRG] Iteration 27/66 (scale 8.8055117241758019e-05) ***** 
[1] xi(26)=0.999999992549 zeta(27)=0
Stats: nr=25 min=2 max=110 sum3=5084291
Emax=8.00109016241 nrkept=246 nrkeptmult=550 
Total energy=-2.88191668168  Egs=-1.56797812819
Kept: 246 out of 863, ratio=0.285
Memory used: 23 MB  Time elapsed: 6 s

 ***** [NRG] Iteration 28/66 (scale 6.2264370519823575e-05) ***** 
[1] xi(27)=0.999999996275 zeta(28)=0
Stats: nr=29 min=1 max=131 sum3=6004289
Emax=8.02371251725 nrkept=232 nrkeptmult=512 
Total energy=-2.88196817993  Egs=-0.827090231811
Kept: 232 out of 917, ratio=0.253
Memory used: 23 MB  Time elapsed: 6 s

 ***** [NRG] Iteration 29/66 (scale 4.402755862087901e-05) ***** 
[1] xi(28)=0.999999998137 zeta(29)=0
Stats: nr=25 min=2 max=110 sum3=5084291
Emax=8.00240677024 nrkept=246 nrkeptmult=550 
Total energy=-2.88203721656  Egs=-1.56803219677
Kept: 246 out of 863, ratio=0.285
Memory used: 23 MB  Time elapsed: 6 s

 ***** [NRG] Iteration 30/66 (scale 3.1132185259911788e-05) ***** 
[1] xi(29)=0.999999999069 zeta(30)=0
Stats: nr=29 min=1 max=131 sum3=6004289
Emax=8.00024619495 nrkept=231 nrkeptmult=510 
Total energy=-2.88206296469  Egs=-0.827058263803
Kept: 231 out of 917, ratio=0.252
Memory used: 23 MB  Time elapsed: 6 s

 ***** [NRG] Iteration 31/66 (scale 2.2013779310439505e-05) ***** 
[1] xi(30)=0.999999999534 zeta(31)=0
Stats: nr=25 min=2 max=109 sum3=4961743
Emax=8.00307766673 nrkept=246 nrkeptmult=550 
Total energy=-2.8820974836  Egs=-1.5680592366
Kept: 246 out of 859, ratio=0.286
Memory used: 23 MB  Time elapsed: 6 s

 ***** [NRG] Iteration 32/66 (scale 1.5566092629955894e-05) ***** 
[1] xi(31)=0.999999999767 zeta(32)=0
Stats: nr=29 min=1 max=131 sum3=6004289
Emax=8.00059955156 nrkept=231 nrkeptmult=510 
Total energy=-2.88211035742  Egs=-0.827042282655
Kept: 231 out of 917, ratio=0.252
Memory used: 23 MB  Time elapsed: 6 s

 ***** [NRG] Iteration 33/66 (scale 1.1006889655219752e-05) ***** 
[1] xi(32)=0.999999999884 zeta(33)=0
Stats: nr=25 min=2 max=109 sum3=4961743
Emax=8.00341616739 nrkept=246 nrkeptmult=550 
Total energy=-2.88212761703  Egs=-1.56807274591
Kept: 246 out of 859, ratio=0.286
Memory used: 23 MB  Time elapsed: 6 s

 ***** [NRG] Iteration 34/66 (scale 7.7830463149779469e-06) ***** 
[1] xi(33)=0.999999999942 zeta(34)=0
Stats: nr=29 min=1 max=131 sum3=6004289
Emax=8.00077396715 nrkept=231 nrkeptmult=510 
Total energy=-2.88213405387  Egs=-0.827034301426
Kept: 231 out of 917, ratio=0.252
Memory used: 23 MB  Time elapsed: 6 s

 ***** [NRG] Iteration 35/66 (scale 5.5034448276098762e-06) ***** 
[1] xi(34)=0.999999999971 zeta(35)=0
Stats: nr=25 min=2 max=109 sum3=4961743
Emax=8.00358627966 nrkept=246 nrkeptmult=550 
Total energy=-2.88214268371  Egs=-1.56807948605
Kept: 246 out of 859, ratio=0.286
Memory used: 23 MB  Time elapsed: 6 s

 ***** [NRG] Iteration 36/66 (scale 3.8915231574889735e-06) ***** 
[1] xi(35)=0.999999999985 zeta(36)=0
Stats: nr=29 min=1 max=131 sum3=6004289
Emax=8.00086105204 nrkept=231 nrkeptmult=510 
Total energy=-2.88214590212  Egs=-0.827030321757
Kept: 231 out of 917, ratio=0.252
Memory used: 23 MB  Time elapsed: 6 s

 ***** [NRG] Iteration 37/66 (scale 2.7517224138049381e-06) ***** 
[1] xi(36)=0.999999999993 zeta(37)=0
Stats: nr=25 min=2 max=109 sum3=4961743
Emax=8.00004261949 nrkept=245 nrkeptmult=548 
Total energy=-2.88215021705  Egs=-1.56808284065
Kept: 245 out of 859, ratio=0.285
Memory used: 23 MB  Time elapsed: 6 s

 ***** [NRG] Iteration 38/66 (scale 1.9457615787444867e-06) ***** 
[1] xi(37)=0.999999999996 zeta(38)=0
Stats: nr=29 min=1 max=130 sum3=5895451
Emax=8.00090455997 nrkept=231 nrkeptmult=510 
Total energy=-2.88215182625  Egs=-0.827028343259
Kept: 231 out of 913, ratio=0.253
Memory used: 23 MB  Time elapsed: 6 s

 ***** [NRG] Iteration 39/66 (scale 1.3758612069024691e-06) ***** 
[1] xi(38)=0.999999999998 zeta(39)=0
Stats: nr=25 min=2 max=109 sum3=4961743
Emax=8.00012177697 nrkept=245 nrkeptmult=548 
Total energy=-2.88215398371  Egs=-1.56808450207
Kept: 245 out of 859, ratio=0.285
Memory used: 23 MB  Time elapsed: 6 s

 ***** [NRG] Iteration 40/66 (scale 9.7288078937224336e-07) ***** 
[1] xi(39)=0.999999999999 zeta(40)=0
Stats: nr=29 min=1 max=130 sum3=5895451
Emax=8.00092637119 nrkept=231 nrkeptmult=510 
Total energy=-2.88215478831  Egs=-0.827027365569
Kept: 231 out of 913, ratio=0.253
Memory used: 23 MB  Time elapsed: 6 s

 ***** [NRG] Iteration 41/66 (scale 6.8793060345123453e-07) ***** 
[1] xi(40)=1 zeta(41)=0
Stats: nr=25 min=2 max=109 sum3=4961743
Emax=8.00014321517 nrkept=245 nrkeptmult=548 
Total energy=-2.88215586705  Egs=-1.56808531656
Kept: 245 out of 859, ratio=0.285
Memory used: 23 MB  Time elapsed: 6 s

 ***** [NRG] Iteration 42/66 (scale 4.8644039468612168e-07) ***** 
[1] xi(41)=1 zeta(42)=0
Stats: nr=29 min=1 max=130 sum3=5895451
Emax=8.00093725587 nrkept=231 nrkeptmult=510 
Total energy=-2.88215626935  Egs=-0.827026888444
Kept: 231 out of 913, ratio=0.253
Memory used: 23 MB  Time elapsed: 6 s

 ***** [NRG] Iteration 43/66 (scale 3.4396530172561726e-07) ***** 
[1] xi(42)=1 zeta(43)=0
Stats: nr=25 min=2 max=109 sum3=4961743
Emax=8.00015395555 nrkept=245 nrkeptmult=548 
Total energy=-2.88215680871  Egs=-1.56808570766
Kept: 245 out of 859, ratio=0.285
Memory used: 23 MB  Time elapsed: 6 s

 ***** [NRG] Iteration 44/66 (scale 2.4322019734306084e-07) ***** 
[1] xi(43)=1 zeta(44)=0
Stats: nr=29 min=1 max=130 sum3=5895451
Emax=8.00094268615 nrkept=231 nrkeptmult=510 
Total energy=-2.88215700986  Egs=-0.8270266616
Kept: 231 out of 913, ratio=0.253
Memory used: 23 MB  Time elapsed: 6 s

 ***** [NRG] Iteration 45/66 (scale 1.7198265086280863e-07) ***** 
[1] xi(44)=1 zeta(45)=0
Stats: nr=25 min=2 max=109 sum3=4961743
Emax=8.0001593489 nrkept=245 nrkeptmult=548 
Total energy=-2.88215727955  Egs=-1.56808588707
Kept: 245 out of 859, ratio=0.285
Memory used: 23 MB  Time elapsed: 6 s

 ***** [NRG] Iteration 46/66 (scale 1.2161009867153042e-07) ***** 
[1] xi(45)=1 zeta(46)=0
Stats: nr=29 min=1 max=130 sum3=5895451
Emax=8.0009453952 nrkept=231 nrkeptmult=510 
Total energy=-2.88215738012  Egs=-0.8270265599
Kept: 231 out of 913, ratio=0.253
Memory used: 23 MB  Time elapsed: 7 s

 ***** [NRG] Iteration 47/66 (scale 8.5991325431404316e-08) ***** 
[1] xi(46)=1 zeta(47)=0
Stats: nr=25 min=2 max=109 sum3=4961743
Emax=8.00016207136 nrkept=245 nrkeptmult=548 
Total energy=-2.88215751496  Egs=-1.56808596064
Kept: 245 out of 859, ratio=0.285
Memory used: 23 MB  Time elapsed: 7 s

 ***** [NRG] Iteration 48/66 (scale 6.080504933576521e-08) ***** 
[1] xi(47)=1 zeta(48)=0
Stats: nr=29 min=1 max=130 sum3=5895451
Emax=8.00094674425 nrkept=231 nrkeptmult=510 
Total energy=-2.88215756525  Egs=-0.827026520771
Kept: 231 out of 913, ratio=0.253
Memory used: 23 MB  Time elapsed: 7 s

 ***** [NRG] Iteration 49/66 (scale 4.2995662715702158e-08) ***** 
[1] xi(48)=1 zeta(49)=0
Stats: nr=25 min=2 max=109 sum3=4961743
Emax=8.00016345875 nrkept=245 nrkeptmult=548 
Total energy=-2.88215763267  Egs=-1.56808598128
Kept: 245 out of 859, ratio=0.285
Memory used: 24 MB  Time elapsed: 7 s

 ***** [NRG] Iteration 50/66 (scale 3.0402524667882605e-08) ***** 
[1] xi(49)=1 zeta(50)=0
Stats: nr=29 min=1 max=130 sum3=5895451
Emax=8.00094741336 nrkept=231 nrkeptmult=510 
Total energy=-2.88215765781  Egs=-0.827026512928
Kept: 231 out of 913, ratio=0.253
Memory used: 24 MB  Time elapsed: 7 s

 ***** [NRG] Iteration 51/66 (scale 2.1497831357851079e-08) ***** 
[1] xi(50)=1 zeta(51)=0
Stats: nr=25 min=2 max=109 sum3=4961743
Emax=8.00016417866 nrkept=245 nrkeptmult=548 
Total energy=-2.88215769152  Egs=-1.56808597546
Kept: 245 out of 859, ratio=0.285
Memory used: 24 MB  Time elapsed: 7 s

 ***** [NRG] Iteration 52/66 (scale 1.5201262333941303e-08) ***** 
[1] xi(51)=1 zeta(52)=0
Stats: nr=29 min=1 max=130 sum3=5895451
Emax=8.0009477425 nrkept=231 nrkeptmult=510 
Total energy=-2.8821577041  Egs=-0.827026520728
Kept: 231 out of 913, ratio=0.253
Memory used: 24 MB  Time elapsed: 7 s

 ***** [NRG] Iteration 53/66 (scale 1.0748915678925539e-08) ***** 
[1] xi(52)=1 zeta(53)=0
Stats: nr=25 min=2 max=109 sum3=4961743
Emax=8.00016456483 nrkept=245 nrkeptmult=548 
Total energy=-2.88215772095  Egs=-1.56808595642
Kept: 245 out of 859, ratio=0.285
Memory used: 24 MB  Time elapsed: 7 s

 ***** [NRG] Iteration 54/66 (scale 7.6006311669706513e-09) ***** 
[1] xi(53)=1 zeta(54)=0
Stats: nr=29 min=1 max=130 sum3=5895451
Emax=8.00094790167 nrkept=231 nrkeptmult=510 
Total energy=-2.88215772724  Egs=-0.82702653635
Kept: 231 out of 913, ratio=0.253
Memory used: 24 MB  Time elapsed: 7 s

 ***** [NRG] Iteration 55/66 (scale 5.3744578394627697e-09) ***** 
[1] xi(54)=1 zeta(55)=0
Stats: nr=25 min=2 max=109 sum3=4961743
Emax=8.00016478414 nrkept=245 nrkeptmult=548 
Total energy=-2.88215773567  Egs=-1.56808593075
Kept: 245 out of 859, ratio=0.285
Memory used: 24 MB  Time elapsed: 7 s

 ***** [NRG] Iteration 56/66 (scale 3.8003155834853256e-09) ***** 
[1] xi(55)=1 zeta(56)=0
Stats: nr=29 min=1 max=130 sum3=5895451
Emax=8.00094797585 nrkept=231 nrkeptmult=510 
Total energy=-2.88215773881  Egs=-0.827026555882
Kept: 231 out of 913, ratio=0.253
Memory used: 24 MB  Time elapsed: 7 s

 ***** [NRG] Iteration 57/66 (scale 2.6872289197313849e-09) ***** 
[1] xi(56)=1 zeta(57)=0
Stats: nr=25 min=2 max=109 sum3=4961743
Emax=8.00016492002 nrkept=245 nrkeptmult=548 
Total energy=-2.88215774302  Egs=-1.56808590178
Kept: 245 out of 859, ratio=0.285
Memory used: 24 MB  Time elapsed: 7 s

 ***** [NRG] Iteration 58/66 (scale 1.9001577917426628e-09) ***** 
[1] xi(57)=1 zeta(58)=0
Stats: nr=29 min=1 max=130 sum3=5895451
Emax=8.00094800754 nrkept=231 nrkeptmult=510 
Total energy=-2.88215774459  Egs=-0.82702657737
Kept: 231 out of 913, ratio=0.253
Memory used: 24 MB  Time elapsed: 7 s

 ***** [NRG] Iteration 59/66 (scale 1.3436144598656924e-09) ***** 
[1] xi(58)=1 zeta(59)=0
Stats: nr=25 min=2 max=109 sum3=4961743
Emax=8.00016501418 nrkept=245 nrkeptmult=548 
Total energy=-2.8821577467  Egs=-1.56808587116
Kept: 245 out of 859, ratio=0.285
Memory used: 24 MB  Time elapsed: 7 s

 ***** [NRG] Iteration 60/66 (scale 9.5007889587133141e-10) ***** 
[1] xi(59)=1 zeta(60)=0
Stats: nr=29 min=1 max=130 sum3=5895451
Emax=8.00094801798 nrkept=231 nrkeptmult=510 
Total energy=-2.88215774749  Egs=-0.827026599835
Kept: 231 out of 913, ratio=0.253
Memory used: 24 MB  Time elapsed: 7 s

 ***** [NRG] Iteration 61/66 (scale 6.7180722993284622e-10) ***** 
[1] xi(60)=1 zeta(61)=0
Stats: nr=25 min=2 max=109 sum3=4961743
Emax=8.00016508748 nrkept=245 nrkeptmult=548 
Total energy=-2.88215774854  Egs=-1.56808583971
Kept: 245 out of 859, ratio=0.285
Memory used: 24 MB  Time elapsed: 7 s

 ***** [NRG] Iteration 62/66 (scale 4.750394479356657e-10) ***** 
[1] xi(61)=1 zeta(62)=0
Stats: nr=29 min=1 max=130 sum3=5895451
Emax=8.0009480178 nrkept=231 nrkeptmult=510 
Total energy=-2.88215774893  Egs=-0.827026622789
Kept: 231 out of 913, ratio=0.253
Memory used: 24 MB  Time elapsed: 7 s

 ***** [NRG] Iteration 63/66 (scale 3.3590361496642311e-10) ***** 
[1] xi(62)=1 zeta(63)=0
Stats: nr=25 min=2 max=109 sum3=4961743
Emax=8.00016515035 nrkept=245 nrkeptmult=548 
Total energy=-2.88215774946  Egs=-1.56808580784
Kept: 245 out of 859, ratio=0.285
Memory used: 24 MB  Time elapsed: 7 s

 ***** [NRG] Iteration 64/66 (scale 2.3751972396783285e-10) ***** 
[1] xi(63)=1 zeta(64)=0
Stats: nr=29 min=1 max=130 sum3=5895451
Emax=8.0009480123 nrkept=231 nrkeptmult=510 
Total energy=-2.88215774966  Egs=-0.827026645988
Kept: 231 out of 913, ratio=0.253
Memory used: 24 MB  Time elapsed: 7 s

 ***** [NRG] Iteration 65/66 (scale 1.6795180748321155e-10) ***** 
[1] xi(64)=1 zeta(65)=0
Stats: nr=25 min=2 max=109 sum3=4961743
Emax=8.00016520801 nrkept=245 nrkeptmult=548 
Total energy=-2.88215774992  Egs=-1.56808577577
Kept: 245 out of 859, ratio=0.285
Memory used: 24 MB  Time elapsed: 7 s

 ***** [NRG] Iteration 66/66 (scale 1.1875986198391643e-10) ***** 
[1] xi(65)=1 zeta(66)=0
Stats: nr=29 min=1 max=130 sum3=5895451
Emax=8.00094800415 nrkept=231 nrkeptmult=510 
Total energy=-2.88215775002  Egs=-0.827026669309
Kept: 231 out of 913, ratio=0.253
Memory used: 24 MB  Time elapsed: 7 s

** Iteration completed.


Total energy:             -2.882157750017528
TKW=0.00639527990086
Grand canonical Z=              13.10498194650727
Zft (last shell)=               12.98467938723782

Memory usage report
===================
  after diag: 26068 kB
after recalc: 25156 kB
 after split: 27532 kB
  after trim: 25156 kB
 after trunc: 26068 kB
      diag_h: 26068 kB

Peak usage: 27532 kB

Timing report
=============
         All: 8 s
        diag: 6 s
    recalc f: 0 s
       Other: 1 s
