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=	0.01	 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
0.03213251213 
(-1 2) 2 states
0.0152687916254 0.0538975233519 
(0 1) 3 states
0 0.0416342768016 0.0792697131751 
(0 3) 1 states
0.0370338028473 
(1 2) 2 states
0.0238652606129 0.0649062172338 
(2 1) 1 states
0.0517376749994 
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=3.05334845767 nrkept=35 nrkeptmult=64 
Total energy=-1.08626885249  Egs=-1.46737762223
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=5.47893936414 nrkept=126 nrkeptmult=256 
Total energy=-1.38444481712  Egs=-0.584578835027
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 3 states
Emax=8.00253629699 nrkept=397 nrkeptmult=891 
Total energy=-1.91919054326  Egs=-1.48262996956
Kept: 397 out of 462, ratio=0.859
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=177 sum3=22134493
Emax=8.06691787482 nrkept=715 nrkeptmult=1698 
Total energy=-2.11645319504  Egs=-0.773473283237
Kept: 715 out of 1477, ratio=0.484
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
Emax=8.00272625396 nrkept=892 nrkeptmult=2150 
Total energy=-2.39125877253  Egs=-1.52384568989
Kept: 892 out of 2682, ratio=0.333
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=367 sum3=211551415
Emax=8.03193338453 nrkept=849 nrkeptmult=2018 
Total energy=-2.49767167731  Egs=-0.834496931839
Kept: 849 out of 3349, ratio=0.254
Memory used: 16 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=8.01307954282 nrkept=828 nrkeptmult=1980 
Total energy=-2.63547918852  Egs=-1.52833420568
Kept: 828 out of 3186, ratio=0.26
Memory used: 18 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=347 sum3=173853384
Emax=8.02935738882 nrkept=849 nrkeptmult=2018 
Total energy=-2.69008193871  Egs=-0.856396648569
Kept: 849 out of 3114, ratio=0.273
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=8.01645023854 nrkept=815 nrkeptmult=1946 
Total energy=-2.75872591358  Egs=-1.52257208446
Kept: 815 out of 3186, ratio=0.256
Memory used: 20 MB  Time elapsed: 3 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=8.04164415411 nrkept=849 nrkeptmult=2018 
Total energy=-2.78632277241  Egs=-0.865665459541
Kept: 849 out of 3062, ratio=0.277
Memory used: 21 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=8.00284607892 nrkept=741 nrkeptmult=1765 
Total energy=-2.82053551555  Egs=-1.51772585233
Kept: 741 out of 3186, ratio=0.233
Memory used: 23 MB  Time elapsed: 4 s

 ***** [NRG] Iteration 12/66 (scale 0.015939678853074835) ***** 
[1] xi(11)=0.999755933863 zeta(12)=0
Stats: nr=37 min=1 max=315 sum3=127152827
Emax=8.0332755712 nrkept=753 nrkeptmult=1794 
Total energy=-2.83437419509  Egs=-0.868190611942
Kept: 753 out of 2783, ratio=0.271
Memory used: 21 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=8.00232010318 nrkept=694 nrkeptmult=1655 
Total energy=-2.85147903341  Egs=-1.51758981887
Kept: 694 out of 2826, ratio=0.246
Memory used: 22 MB  Time elapsed: 5 s

 ***** [NRG] Iteration 14/66 (scale 0.0079698394265374176) ***** 
[1] xi(13)=0.9999389695 zeta(14)=0
Stats: nr=37 min=1 max=299 sum3=105523238
Emax=8.01035809188 nrkept=697 nrkeptmult=1667 
Total energy=-2.85837961885  Egs=-0.865837449442
Kept: 697 out of 2606, ratio=0.267
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=33 min=1 max=328 sum3=107709144
Emax=8.00951243158 nrkept=557 nrkeptmult=1309 
Total energy=-2.8669544705  Egs=-1.52157036642
Kept: 557 out of 2616, ratio=0.213
Memory used: 23 MB  Time elapsed: 5 s

 ***** [NRG] Iteration 16/66 (scale 0.0039849197132687088) ***** 
[1] xi(15)=0.999984741502 zeta(16)=0
Stats: nr=33 min=1 max=254 sum3=57711494
Emax=8.00450623069 nrkept=503 nrkeptmult=1165 
Total energy=-2.87038625267  Egs=-0.861192299107
Kept: 503 out of 2084, ratio=0.241
Memory used: 23 MB  Time elapsed: 6 s

 ***** [NRG] Iteration 17/66 (scale 0.0028177637517362566) ***** 
[1] xi(16)=0.999992370678 zeta(17)=0
Stats: nr=32 min=1 max=246 sum3=44419564
Emax=8.00044044194 nrkept=421 nrkeptmult=987 
Total energy=-2.87468815725  Egs=-1.52670875052
Kept: 421 out of 1882, ratio=0.224
Memory used: 22 MB  Time elapsed: 6 s

 ***** [NRG] Iteration 18/66 (scale 0.0019924598566343544) ***** 
[1] xi(17)=0.999996185321 zeta(18)=0
Stats: nr=31 min=1 max=203 sum3=26510946
Emax=8.00377007183 nrkept=406 nrkeptmult=933 
Total energy=-2.87639547675  Egs=-0.856890287599
Kept: 406 out of 1578, ratio=0.257
Memory used: 22 MB  Time elapsed: 6 s

 ***** [NRG] Iteration 19/66 (scale 0.0014088818758681283) ***** 
[1] xi(18)=0.999998092656 zeta(19)=0
Stats: nr=31 min=1 max=198 sum3=24718798
Emax=8.00949008372 nrkept=329 nrkeptmult=747 
Total energy=-2.8785520961  Egs=-1.53073113303
Kept: 329 out of 1516, ratio=0.217
Memory used: 22 MB  Time elapsed: 6 s

 ***** [NRG] Iteration 20/66 (scale 0.0009962299283171772) ***** 
[1] xi(19)=0.999999046327 zeta(20)=0
Stats: nr=29 min=1 max=170 sum3=13888537
Emax=8.01263184595 nrkept=293 nrkeptmult=650 
Total energy=-2.87940289604  Egs=-0.85401965269
Kept: 293 out of 1225, ratio=0.239
Memory used: 22 MB  Time elapsed: 6 s

 ***** [NRG] Iteration 21/66 (scale 0.00070444093793406415) ***** 
[1] xi(20)=0.999999523163 zeta(21)=0
Stats: nr=26 min=1 max=144 sum3=9804383
Emax=8.02530161286 nrkept=260 nrkeptmult=582 
Total energy=-2.880482939  Egs=-1.53319165519
Kept: 260 out of 1091, ratio=0.238
Memory used: 22 MB  Time elapsed: 6 s

 ***** [NRG] Iteration 22/66 (scale 0.0004981149641585886) ***** 
[1] xi(21)=0.999999761581 zeta(22)=0
Stats: nr=29 min=1 max=140 sum3=7237108
Emax=8.00294676474 nrkept=242 nrkeptmult=536 
Total energy=-2.88090753095  Egs=-0.85239748568
Kept: 242 out of 970, ratio=0.249
Memory used: 22 MB  Time elapsed: 6 s

 ***** [NRG] Iteration 23/66 (scale 0.00035222046896703208) ***** 
[1] xi(22)=0.999999880791 zeta(23)=0
Stats: nr=26 min=1 max=113 sum3=5330485
Emax=8.00261177065 nrkept=243 nrkeptmult=542 
Total energy=-2.88144802393  Egs=-1.53453029086
Kept: 243 out of 901, ratio=0.27
Memory used: 22 MB  Time elapsed: 6 s

 ***** [NRG] Iteration 24/66 (scale 0.0002490574820792943) ***** 
[1] xi(23)=0.999999940395 zeta(24)=0
Stats: nr=29 min=1 max=129 sum3=5743276
Emax=8.0123635682 nrkept=234 nrkeptmult=516 
Total energy=-2.88166010771  Egs=-0.851545530138
Kept: 234 out of 904, ratio=0.259
Memory used: 22 MB  Time elapsed: 6 s

 ***** [NRG] Iteration 25/66 (scale 0.00017611023448351604) ***** 
[1] xi(24)=0.999999970198 zeta(25)=0
Stats: nr=26 min=1 max=109 sum3=4980138
Emax=8.01972375647 nrkept=243 nrkeptmult=542 
Total energy=-2.8819304763  Egs=-1.53522359527
Kept: 243 out of 870, ratio=0.279
Memory used: 22 MB  Time elapsed: 7 s

 ***** [NRG] Iteration 26/66 (scale 0.00012452874103964715) ***** 
[1] xi(25)=0.999999985099 zeta(26)=0
Stats: nr=29 min=1 max=129 sum3=5743276
Emax=8.02691784838 nrkept=234 nrkeptmult=515 
Total energy=-2.88203646406  Egs=-0.85111086824
Kept: 234 out of 904, ratio=0.259
Memory used: 22 MB  Time elapsed: 7 s

 ***** [NRG] Iteration 27/66 (scale 8.8055117241758019e-05) ***** 
[1] xi(26)=0.999999992549 zeta(27)=0
Stats: nr=26 min=1 max=110 sum3=5088900
Emax=8.00013709045 nrkept=241 nrkeptmult=537 
Total energy=-2.88217167935  Egs=-1.53557559534
Kept: 241 out of 870, ratio=0.277
Memory used: 22 MB  Time elapsed: 7 s

 ***** [NRG] Iteration 28/66 (scale 6.2264370519823575e-05) ***** 
[1] xi(27)=0.999999996275 zeta(28)=0
Stats: nr=29 min=1 max=128 sum3=5621787
Emax=8.00456768208 nrkept=232 nrkeptmult=511 
Total energy=-2.88222465958  Egs=-0.85089161849
Kept: 232 out of 897, ratio=0.259
Memory used: 22 MB  Time elapsed: 7 s

 ***** [NRG] Iteration 29/66 (scale 4.402755862087901e-05) ***** 
[1] xi(28)=0.999999998137 zeta(29)=0
Stats: nr=26 min=1 max=109 sum3=4962034
Emax=8.00691102973 nrkept=241 nrkeptmult=537 
Total energy=-2.88229227503  Egs=-1.53575282971
Kept: 241 out of 862, ratio=0.28
Memory used: 22 MB  Time elapsed: 7 s

 ***** [NRG] Iteration 30/66 (scale 3.1132185259911788e-05) ***** 
[1] xi(29)=0.999999999069 zeta(30)=0
Stats: nr=29 min=1 max=128 sum3=5621787
Emax=8.0075448534 nrkept=232 nrkeptmult=511 
Total energy=-2.88231876172  Egs=-0.850781556507
Kept: 232 out of 897, ratio=0.259
Memory used: 22 MB  Time elapsed: 7 s

 ***** [NRG] Iteration 31/66 (scale 2.2013779310439505e-05) ***** 
[1] xi(30)=0.999999999534 zeta(31)=0
Stats: nr=26 min=1 max=109 sum3=4962034
Emax=8.01029773477 nrkept=241 nrkeptmult=537 
Total energy=-2.8823525714  Egs=-1.53584173276
Kept: 241 out of 862, ratio=0.28
Memory used: 22 MB  Time elapsed: 7 s

 ***** [NRG] Iteration 32/66 (scale 1.5566092629955894e-05) ***** 
[1] xi(31)=0.999999999767 zeta(32)=0
Stats: nr=29 min=1 max=128 sum3=5621787
Emax=8.00899760168 nrkept=232 nrkeptmult=511 
Total energy=-2.88236581389  Egs=-0.850726427658
Kept: 232 out of 897, ratio=0.259
Memory used: 22 MB  Time elapsed: 7 s

 ***** [NRG] Iteration 33/66 (scale 1.1006889655219752e-05) ***** 
[1] xi(32)=0.999999999884 zeta(33)=0
Stats: nr=26 min=1 max=109 sum3=4962034
Emax=8.01199322089 nrkept=241 nrkeptmult=537 
Total energy=-2.88238271922  Egs=-1.53588624461
Kept: 241 out of 862, ratio=0.28
Memory used: 22 MB  Time elapsed: 7 s

 ***** [NRG] Iteration 34/66 (scale 7.7830463149779469e-06) ***** 
[1] xi(33)=0.999999999942 zeta(34)=0
Stats: nr=29 min=1 max=128 sum3=5621787
Emax=8.00971696935 nrkept=232 nrkeptmult=511 
Total energy=-2.88238934025  Egs=-0.850698846423
Kept: 232 out of 897, ratio=0.259
Memory used: 23 MB  Time elapsed: 7 s

 ***** [NRG] Iteration 35/66 (scale 5.5034448276098762e-06) ***** 
[1] xi(34)=0.999999999971 zeta(35)=0
Stats: nr=26 min=1 max=109 sum3=4962034
Emax=8.01284184807 nrkept=241 nrkeptmult=537 
Total energy=-2.88239779303  Egs=-1.53590850593
Kept: 241 out of 862, ratio=0.28
Memory used: 23 MB  Time elapsed: 7 s

 ***** [NRG] Iteration 36/66 (scale 3.8915231574889735e-06) ***** 
[1] xi(35)=0.999999999985 zeta(36)=0
Stats: nr=29 min=1 max=128 sum3=5621787
Emax=8.01007489281 nrkept=232 nrkeptmult=511 
Total energy=-2.88240110349  Egs=-0.850685058723
Kept: 232 out of 897, ratio=0.259
Memory used: 23 MB  Time elapsed: 7 s

 ***** [NRG] Iteration 37/66 (scale 2.7517224138049381e-06) ***** 
[1] xi(36)=0.999999999993 zeta(37)=0
Stats: nr=26 min=1 max=109 sum3=4962034
Emax=8.01326642229 nrkept=241 nrkeptmult=537 
Total energy=-2.88240532992  Egs=-1.53591962846
Kept: 241 out of 862, ratio=0.28
Memory used: 23 MB  Time elapsed: 7 s

 ***** [NRG] Iteration 38/66 (scale 1.9457615787444867e-06) ***** 
[1] xi(37)=0.999999999996 zeta(38)=0
Stats: nr=29 min=1 max=128 sum3=5621787
Emax=8.01025338333 nrkept=232 nrkeptmult=511 
Total energy=-2.88240698514  Egs=-0.85067817264
Kept: 232 out of 897, ratio=0.259
Memory used: 23 MB  Time elapsed: 7 s

 ***** [NRG] Iteration 39/66 (scale 1.3758612069024691e-06) ***** 
[1] xi(38)=0.999999999998 zeta(39)=0
Stats: nr=26 min=1 max=109 sum3=4962034
Safeguard: keep additional 1 states
Emax=8.01348453507 nrkept=242 nrkeptmult=538 
Total energy=-2.88240909836  Egs=-1.53592517826
Kept: 242 out of 862, ratio=0.281
Memory used: 23 MB  Time elapsed: 7 s

 ***** [NRG] Iteration 40/66 (scale 9.7288078937224336e-07) ***** 
[1] xi(39)=0.999999999999 zeta(40)=0
Stats: nr=29 min=1 max=129 sum3=5711274
Emax=8.01034247973 nrkept=232 nrkeptmult=511 
Total energy=-2.88240992596  Egs=-0.850674740465
Kept: 232 out of 900, ratio=0.258
Memory used: 23 MB  Time elapsed: 7 s

 ***** [NRG] Iteration 41/66 (scale 6.8793060345123453e-07) ***** 
[1] xi(40)=1 zeta(41)=0
Stats: nr=26 min=1 max=109 sum3=4962034
Safeguard: keep additional 1 states
Emax=8.01358799904 nrkept=242 nrkeptmult=538 
Total energy=-2.88241098257  Egs=-1.53592793967
Kept: 242 out of 862, ratio=0.281
Memory used: 23 MB  Time elapsed: 7 s

 ***** [NRG] Iteration 42/66 (scale 4.8644039468612168e-07) ***** 
[1] xi(41)=1 zeta(42)=0
Stats: nr=29 min=1 max=129 sum3=5711274
Emax=8.01038695869 nrkept=232 nrkeptmult=511 
Total energy=-2.88241139637  Egs=-0.850673033056
Kept: 232 out of 900, ratio=0.258
Memory used: 23 MB  Time elapsed: 7 s

 ***** [NRG] Iteration 43/66 (scale 3.4396530172561726e-07) ***** 
[1] xi(42)=1 zeta(43)=0
Stats: nr=26 min=1 max=109 sum3=4962034
Safeguard: keep additional 1 states
Emax=8.01363973594 nrkept=242 nrkeptmult=538 
Total energy=-2.88241192468  Egs=-1.5359293079
Kept: 242 out of 862, ratio=0.281
Memory used: 23 MB  Time elapsed: 7 s

 ***** [NRG] Iteration 44/66 (scale 2.4322019734306084e-07) ***** 
[1] xi(43)=1 zeta(44)=0
Stats: nr=29 min=1 max=129 sum3=5711274
Emax=8.01040914689 nrkept=232 nrkeptmult=511 
Total energy=-2.88241213158  Egs=-0.850672188732
Kept: 232 out of 900, ratio=0.258
Memory used: 23 MB  Time elapsed: 7 s

 ***** [NRG] Iteration 45/66 (scale 1.7198265086280863e-07) ***** 
[1] xi(44)=1 zeta(45)=0
Stats: nr=26 min=1 max=109 sum3=4962034
Safeguard: keep additional 1 states
Emax=8.01366560827 nrkept=242 nrkeptmult=538 
Total energy=-2.88241239573  Egs=-1.53592997939
Kept: 242 out of 862, ratio=0.281
Memory used: 23 MB  Time elapsed: 7 s

 ***** [NRG] Iteration 46/66 (scale 1.2161009867153042e-07) ***** 
[1] xi(45)=1 zeta(46)=0
Stats: nr=29 min=1 max=129 sum3=5711274
Emax=8.01042019329 nrkept=232 nrkeptmult=511 
Total energy=-2.88241249918  Egs=-0.850671775977
Kept: 232 out of 900, ratio=0.258
Memory used: 23 MB  Time elapsed: 8 s

 ***** [NRG] Iteration 47/66 (scale 8.5991325431404316e-08) ***** 
[1] xi(46)=1 zeta(47)=0
Stats: nr=26 min=1 max=109 sum3=4962034
Safeguard: keep additional 1 states
Emax=8.01367854488 nrkept=242 nrkeptmult=538 
Total energy=-2.88241263126  Egs=-1.53593030249
Kept: 242 out of 862, ratio=0.281
Memory used: 23 MB  Time elapsed: 8 s

 ***** [NRG] Iteration 48/66 (scale 6.080504933576521e-08) ***** 
[1] xi(47)=1 zeta(48)=0
Stats: nr=29 min=1 max=129 sum3=5711274
Emax=8.01042567127 nrkept=232 nrkeptmult=511 
Total energy=-2.88241268299  Egs=-0.850671579012
Kept: 232 out of 900, ratio=0.258
Memory used: 23 MB  Time elapsed: 8 s

 ***** [NRG] Iteration 49/66 (scale 4.2995662715702158e-08) ***** 
[1] xi(48)=1 zeta(49)=0
Stats: nr=26 min=1 max=109 sum3=4962034
Safeguard: keep additional 1 states
Emax=8.01368501395 nrkept=242 nrkeptmult=538 
Total energy=-2.88241274903  Egs=-1.5359304514
Kept: 242 out of 862, ratio=0.281
Memory used: 23 MB  Time elapsed: 8 s

 ***** [NRG] Iteration 50/66 (scale 3.0402524667882605e-08) ***** 
[1] xi(49)=1 zeta(50)=0
Stats: nr=29 min=1 max=129 sum3=5711274
Emax=8.01042836574 nrkept=232 nrkeptmult=511 
Total energy=-2.88241277489  Egs=-0.850671489941
Kept: 232 out of 900, ratio=0.258
Memory used: 23 MB  Time elapsed: 8 s

 ***** [NRG] Iteration 51/66 (scale 2.1497831357851079e-08) ***** 
[1] xi(50)=1 zeta(51)=0
Stats: nr=26 min=1 max=109 sum3=4962034
Safeguard: keep additional 1 states
Emax=8.0136882494 nrkept=242 nrkeptmult=538 
Total energy=-2.88241280791  Egs=-1.53593051322
Kept: 242 out of 862, ratio=0.281
Memory used: 23 MB  Time elapsed: 8 s

 ***** [NRG] Iteration 52/66 (scale 1.5201262333941303e-08) ***** 
[1] xi(51)=1 zeta(52)=0
Stats: nr=29 min=1 max=129 sum3=5711274
Emax=8.01042966863 nrkept=232 nrkeptmult=511 
Total energy=-2.88241282084  Egs=-0.850671454817
Kept: 232 out of 900, ratio=0.258
Memory used: 23 MB  Time elapsed: 8 s

 ***** [NRG] Iteration 53/66 (scale 1.0748915678925539e-08) ***** 
[1] xi(52)=1 zeta(53)=0
Stats: nr=26 min=1 max=109 sum3=4962034
Safeguard: keep additional 1 states
Emax=8.01368986807 nrkept=242 nrkeptmult=538 
Total energy=-2.88241283735  Egs=-1.53593053148
Kept: 242 out of 862, ratio=0.281
Memory used: 23 MB  Time elapsed: 8 s

 ***** [NRG] Iteration 54/66 (scale 7.6006311669706513e-09) ***** 
[1] xi(53)=1 zeta(54)=0
Stats: nr=29 min=1 max=129 sum3=5711274
Emax=8.01043027576 nrkept=232 nrkeptmult=511 
Total energy=-2.88241284381  Egs=-0.850671446667
Kept: 232 out of 900, ratio=0.258
Memory used: 23 MB  Time elapsed: 8 s

 ***** [NRG] Iteration 55/66 (scale 5.3744578394627697e-09) ***** 
[1] xi(54)=1 zeta(55)=0
Stats: nr=26 min=1 max=109 sum3=4962034
Safeguard: keep additional 1 states
Emax=8.01369067835 nrkept=242 nrkeptmult=538 
Total energy=-2.88241285207  Egs=-1.53593052797
Kept: 242 out of 862, ratio=0.281
Memory used: 23 MB  Time elapsed: 8 s

 ***** [NRG] Iteration 56/66 (scale 3.8003155834853256e-09) ***** 
[1] xi(55)=1 zeta(56)=0
Stats: nr=29 min=1 max=129 sum3=5711274
Emax=8.01043053502 nrkept=232 nrkeptmult=511 
Total energy=-2.8824128553  Egs=-0.850671452004
Kept: 232 out of 900, ratio=0.258
Memory used: 23 MB  Time elapsed: 8 s

 ***** [NRG] Iteration 57/66 (scale 2.6872289197313849e-09) ***** 
[1] xi(56)=1 zeta(57)=0
Stats: nr=26 min=1 max=109 sum3=4962034
Safeguard: keep additional 1 states
Emax=8.01369108444 nrkept=242 nrkeptmult=538 
Total energy=-2.88241285943  Egs=-1.53593051357
Kept: 242 out of 862, ratio=0.281
Memory used: 23 MB  Time elapsed: 8 s

 ***** [NRG] Iteration 58/66 (scale 1.9001577917426628e-09) ***** 
[1] xi(57)=1 zeta(58)=0
Stats: nr=29 min=1 max=129 sum3=5711274
Emax=8.01043062035 nrkept=232 nrkeptmult=511 
Total energy=-2.88241286104  Egs=-0.850671464085
Kept: 232 out of 900, ratio=0.258
Memory used: 23 MB  Time elapsed: 8 s

 ***** [NRG] Iteration 59/66 (scale 1.3436144598656924e-09) ***** 
[1] xi(58)=1 zeta(59)=0
Stats: nr=26 min=1 max=109 sum3=4962034
Safeguard: keep additional 1 states
Emax=8.01369128843 nrkept=242 nrkeptmult=538 
Total energy=-2.88241286311  Egs=-1.53593049373
Kept: 242 out of 862, ratio=0.281
Memory used: 23 MB  Time elapsed: 8 s

 ***** [NRG] Iteration 60/66 (scale 9.5007889587133141e-10) ***** 
[1] xi(59)=1 zeta(60)=0
Stats: nr=29 min=1 max=129 sum3=5711274
Emax=8.01043061872 nrkept=232 nrkeptmult=511 
Total energy=-2.88241286392  Egs=-0.850671479536
Kept: 232 out of 900, ratio=0.258
Memory used: 23 MB  Time elapsed: 8 s

 ***** [NRG] Iteration 61/66 (scale 6.7180722993284622e-10) ***** 
[1] xi(60)=1 zeta(61)=0
Stats: nr=26 min=1 max=109 sum3=4962034
Safeguard: keep additional 1 states
Emax=8.01369139138 nrkept=242 nrkeptmult=538 
Total energy=-2.88241286495  Egs=-1.53593047117
Kept: 242 out of 862, ratio=0.281
Memory used: 23 MB  Time elapsed: 8 s

 ***** [NRG] Iteration 62/66 (scale 4.750394479356657e-10) ***** 
[1] xi(61)=1 zeta(62)=0
Stats: nr=29 min=1 max=129 sum3=5711274
Emax=8.0104305736 nrkept=232 nrkeptmult=511 
Total energy=-2.88241286535  Egs=-0.850671496674
Kept: 232 out of 900, ratio=0.258
Memory used: 23 MB  Time elapsed: 8 s

 ***** [NRG] Iteration 63/66 (scale 3.3590361496642311e-10) ***** 
[1] xi(62)=1 zeta(63)=0
Stats: nr=26 min=1 max=109 sum3=4962034
Safeguard: keep additional 1 states
Emax=8.0136914438 nrkept=242 nrkeptmult=538 
Total energy=-2.88241286587  Egs=-1.53593044724
Kept: 242 out of 862, ratio=0.281
Memory used: 24 MB  Time elapsed: 8 s

 ***** [NRG] Iteration 64/66 (scale 2.3751972396783285e-10) ***** 
[1] xi(63)=1 zeta(64)=0
Stats: nr=29 min=1 max=129 sum3=5711274
Emax=8.01043050674 nrkept=232 nrkeptmult=511 
Total energy=-2.88241286607  Egs=-0.850671514655
Kept: 232 out of 900, ratio=0.258
Memory used: 24 MB  Time elapsed: 8 s

 ***** [NRG] Iteration 65/66 (scale 1.6795180748321155e-10) ***** 
[1] xi(64)=1 zeta(65)=0
Stats: nr=26 min=1 max=109 sum3=4962034
Safeguard: keep additional 1 states
Emax=8.01369147096 nrkept=242 nrkeptmult=538 
Total energy=-2.88241286633  Egs=-1.53593042264
Kept: 242 out of 862, ratio=0.281
Memory used: 24 MB  Time elapsed: 8 s

 ***** [NRG] Iteration 66/66 (scale 1.1875986198391643e-10) ***** 
[1] xi(65)=1 zeta(66)=0
Stats: nr=29 min=1 max=129 sum3=5711274
Emax=8.01043042901 nrkept=232 nrkeptmult=511 
Total energy=-2.88241286643  Egs=-0.850671533057
Kept: 232 out of 900, ratio=0.258
Memory used: 24 MB  Time elapsed: 8 s

** Iteration completed.


Total energy:             -2.882412866429563
TKW=0.00325852450257
Grand canonical Z=              12.82151102115541
Zft (last shell)=                12.7041725082937

Memory usage report
===================
  after diag: 28076 kB
after recalc: 24680 kB
 after split: 30296 kB
  after trim: 24680 kB
 after trunc: 28152 kB
      diag_h: 28076 kB

Peak usage: 30296 kB

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