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	 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
0.0408454617637 
(-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: 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=5.47093875606 nrkept=126 nrkeptmult=256 
Total energy=-1.39278010874  Egs=-0.591117713013
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 7 states
Emax=8.00253882704 nrkept=402 nrkeptmult=908 
Total energy=-1.92419059736  Egs=-1.47338272761
Kept: 402 out of 462, ratio=0.87
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=178 sum3=23124154
Safeguard: keep additional 1 states
Emax=8.06694395004 nrkept=716 nrkeptmult=1700 
Total energy=-2.12427599836  Egs=-0.78454137489
Kept: 716 out of 1498, ratio=0.478
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=334 sum3=112846582
Safeguard: keep additional 3 states
Emax=8.00233150126 nrkept=938 nrkeptmult=2260 
Total energy=-2.3962590104  Egs=-1.50819406366
Kept: 938 out of 2686, ratio=0.349
Memory used: 14 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=383 sum3=246667222
Safeguard: keep additional 1 states
Emax=8.03198058534 nrkept=850 nrkeptmult=2020 
Total energy=-2.50497382801  Egs=-0.852548682199
Kept: 850 out of 3526, ratio=0.241
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=398 sum3=191104168
Emax=8.01306495526 nrkept=871 nrkeptmult=2088 
Total energy=-2.64048006814  Egs=-1.50281229269
Kept: 871 out of 3190, ratio=0.273
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=353 sum3=196511514
Safeguard: keep additional 1 states
Emax=8.02932773951 nrkept=850 nrkeptmult=2020 
Total energy=-2.69687229573  Egs=-0.884463045185
Kept: 850 out of 3258, ratio=0.261
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=398 sum3=191104168
Emax=8.01645781597 nrkept=853 nrkeptmult=2054 
Total energy=-2.76372870886  Egs=-1.48292269642
Kept: 853 out of 3190, ratio=0.267
Memory used: 21 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=346 sum3=184743778
Safeguard: keep additional 1 states
Emax=8.04126270471 nrkept=850 nrkeptmult=2020 
Total energy=-2.79264237081  Egs=-0.906971282876
Kept: 850 out of 3196, ratio=0.266
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=398 sum3=191104168
Safeguard: keep additional 3 states
Emax=8.00311224275 nrkept=808 nrkeptmult=1942 
Total energy=-2.82554286568  Egs=-1.45951265649
Kept: 808 out of 3190, ratio=0.253
Memory used: 22 MB  Time elapsed: 4 s

 ***** [NRG] Iteration 12/66 (scale 0.015939678853074835) ***** 
[1] xi(11)=0.999755933863 zeta(12)=0
Stats: nr=38 min=1 max=331 sum3=158823098
Safeguard: keep additional 1 states
Emax=8.07093439518 nrkept=850 nrkeptmult=2020 
Total energy=-2.84029344834  Egs=-0.925400240952
Kept: 850 out of 3032, ratio=0.28
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=2 max=398 sum3=191104168
Safeguard: keep additional 1 states
Emax=8.00419694212 nrkept=790 nrkeptmult=1884 
Total energy=-2.85649438934  Egs=-1.43739348189
Kept: 790 out of 3190, ratio=0.248
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=38 min=1 max=324 sum3=148872326
Safeguard: keep additional 1 states
Emax=8.1486553502 nrkept=850 nrkeptmult=2020 
Total energy=-2.86398823135  Egs=-0.940275156074
Kept: 850 out of 2960, ratio=0.287
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=2 max=398 sum3=191104168
Safeguard: keep additional 1 states
Emax=8.01126155265 nrkept=733 nrkeptmult=1770 
Total energy=-2.87197986271  Egs=-1.41808044671
Kept: 733 out of 3190, ratio=0.23
Memory used: 23 MB  Time elapsed: 6 s

 ***** [NRG] Iteration 16/66 (scale 0.0039849197132687088) ***** 
[1] xi(15)=0.999984741502 zeta(16)=0
Stats: nr=36 min=1 max=305 sum3=123358772
Emax=8.02014723753 nrkept=671 nrkeptmult=1601 
Total energy=-2.87577723527  Egs=-0.952935776241
Kept: 671 out of 2756, ratio=0.243
Memory used: 22 MB  Time elapsed: 6 s

 ***** [NRG] Iteration 17/66 (scale 0.0028177637517362566) ***** 
[1] xi(16)=0.999992370678 zeta(17)=0
Stats: nr=33 min=1 max=323 sum3=98958135
Safeguard: keep additional 1 states
Emax=8.00291634725 nrkept=615 nrkeptmult=1472 
Total energy=-2.87972284052  Egs=-1.40026120023
Kept: 615 out of 2517, ratio=0.244
Memory used: 22 MB  Time elapsed: 7 s

 ***** [NRG] Iteration 18/66 (scale 0.0019924598566343544) ***** 
[1] xi(17)=0.999996185321 zeta(18)=0
Stats: nr=36 min=1 max=258 sum3=74378912
Safeguard: keep additional 1 states
Emax=8.02006588076 nrkept=606 nrkeptmult=1468 
Total energy=-2.88164754805  Egs=-0.965995640323
Kept: 606 out of 2306, ratio=0.263
Memory used: 23 MB  Time elapsed: 7 s

 ***** [NRG] Iteration 19/66 (scale 0.0014088818758681283) ***** 
[1] xi(18)=0.999998092656 zeta(19)=0
Stats: nr=33 min=1 max=288 sum3=71236324
Safeguard: keep additional 1 states
Emax=8.03997999806 nrkept=524 nrkeptmult=1278 
Total energy=-2.88359378621  Egs=-1.38140619667
Kept: 524 out of 2278, ratio=0.23
Memory used: 23 MB  Time elapsed: 7 s

 ***** [NRG] Iteration 20/66 (scale 0.0009962299283171772) ***** 
[1] xi(19)=0.999999046327 zeta(20)=0
Stats: nr=34 min=1 max=224 sum3=49183712
Safeguard: keep additional 1 states
Emax=8.00215962498 nrkept=475 nrkeptmult=1173 
Total energy=-2.88457178038  Egs=-0.981695237517
Kept: 475 out of 1976, ratio=0.24
Memory used: 23 MB  Time elapsed: 8 s

 ***** [NRG] Iteration 21/66 (scale 0.00070444093793406415) ***** 
[1] xi(20)=0.999999523163 zeta(21)=0
Stats: nr=31 min=2 max=230 sum3=36085712
Safeguard: keep additional 1 states
Emax=8.00205034684 nrkept=440 nrkeptmult=1098 
Total energy=-2.88552943895  Egs=-1.35945898958
Kept: 440 out of 1790, ratio=0.246
Memory used: 23 MB  Time elapsed: 8 s

 ***** [NRG] Iteration 22/66 (scale 0.0004981149641585886) ***** 
[1] xi(21)=0.999999761581 zeta(22)=0
Stats: nr=34 min=1 max=191 sum3=28453598
Safeguard: keep additional 3 states
Emax=8.01507734264 nrkept=428 nrkeptmult=1072 
Total energy=-2.88602821975  Egs=-1.00133671722
Kept: 428 out of 1658, ratio=0.258
Memory used: 23 MB  Time elapsed: 8 s

 ***** [NRG] Iteration 23/66 (scale 0.00035222046896703208) ***** 
[1] xi(22)=0.999999880791 zeta(23)=0
Stats: nr=31 min=2 max=202 sum3=25315104
Emax=8.00314522201 nrkept=422 nrkeptmult=1056 
Total energy=-2.88649775602  Egs=-1.33307489093
Kept: 422 out of 1614, ratio=0.261
Memory used: 23 MB  Time elapsed: 8 s

 ***** [NRG] Iteration 24/66 (scale 0.0002490574820792943) ***** 
[1] xi(23)=0.999999940395 zeta(24)=0
Stats: nr=34 min=1 max=181 sum3=24970172
Safeguard: keep additional 1 states
Emax=8.00532930067 nrkept=420 nrkeptmult=1060 
Total energy=-2.88675326091  Egs=-1.02588723835
Kept: 420 out of 1592, ratio=0.264
Memory used: 23 MB  Time elapsed: 8 s

 ***** [NRG] Iteration 25/66 (scale 0.00017611023448351604) ***** 
[1] xi(24)=0.999999970198 zeta(25)=0
Stats: nr=31 min=2 max=198 sum3=24073868
Safeguard: keep additional 3 states
Emax=8.00363537828 nrkept=411 nrkeptmult=1022 
Total energy=-2.88698240185  Egs=-1.30112225568
Kept: 411 out of 1586, ratio=0.259
Memory used: 23 MB  Time elapsed: 8 s

 ***** [NRG] Iteration 26/66 (scale 0.00012452874103964715) ***** 
[1] xi(25)=0.999999985099 zeta(26)=0
Stats: nr=34 min=1 max=174 sum3=22938186
Emax=8.00367535252 nrkept=415 nrkeptmult=1053 
Total energy=-2.88711396846  Egs=-1.05651597022
Kept: 415 out of 1548, ratio=0.268
Memory used: 23 MB  Time elapsed: 8 s

 ***** [NRG] Iteration 27/66 (scale 8.8055117241758019e-05) ***** 
[1] xi(26)=0.999999992549 zeta(27)=0
Stats: nr=31 min=2 max=195 sum3=23179005
Emax=8.00511195486 nrkept=405 nrkeptmult=1004 
Total energy=-2.88722512559  Egs=-1.26235860044
Kept: 405 out of 1569, ratio=0.258
Memory used: 24 MB  Time elapsed: 9 s

 ***** [NRG] Iteration 28/66 (scale 6.2264370519823575e-05) ***** 
[1] xi(27)=0.999999996275 zeta(28)=0
Stats: nr=34 min=1 max=170 sum3=21944346
Safeguard: keep additional 2 states
Emax=8.00132778843 nrkept=409 nrkeptmult=1037 
Total energy=-2.88729329143  Egs=-1.09478076974
Kept: 409 out of 1524, ratio=0.268
Memory used: 24 MB  Time elapsed: 9 s

 ***** [NRG] Iteration 29/66 (scale 4.402755862087901e-05) ***** 
[1] xi(28)=0.999999998137 zeta(29)=0
Stats: nr=31 min=2 max=191 sum3=21927466
Safeguard: keep additional 1 states
Emax=8.03826767676 nrkept=407 nrkeptmult=1010 
Total energy=-2.88734680449  Egs=-1.21544477068
Kept: 407 out of 1546, ratio=0.263
Memory used: 24 MB  Time elapsed: 9 s

 ***** [NRG] Iteration 30/66 (scale 3.1132185259911788e-05) ***** 
[1] xi(29)=0.999999999069 zeta(30)=0
Stats: nr=34 min=1 max=172 sum3=22398032
Safeguard: keep additional 3 states
Emax=8.01422473972 nrkept=406 nrkeptmult=1028 
Total energy=-2.88738237475  Egs=-1.14255570515
Kept: 406 out of 1532, ratio=0.265
Memory used: 24 MB  Time elapsed: 9 s

 ***** [NRG] Iteration 31/66 (scale 2.2013779310439505e-05) ***** 
[1] xi(30)=0.999999999534 zeta(31)=0
Stats: nr=31 min=2 max=190 sum3=21399364
Safeguard: keep additional 1 states
Emax=8.04838257402 nrkept=407 nrkeptmult=1010 
Total energy=-2.88740789629  Egs=-1.15934365655
Kept: 407 out of 1534, ratio=0.265
Memory used: 24 MB  Time elapsed: 9 s

 ***** [NRG] Iteration 32/66 (scale 1.5566092629955894e-05) ***** 
[1] xi(31)=0.999999999767 zeta(32)=0
Stats: nr=34 min=1 max=172 sum3=22398032
Safeguard: keep additional 4 states
Emax=8.00812113767 nrkept=402 nrkeptmult=1020 
Total energy=-2.88742660005  Egs=-1.20157127037
Kept: 402 out of 1532, ratio=0.262
Memory used: 24 MB  Time elapsed: 9 s

 ***** [NRG] Iteration 33/66 (scale 1.1006889655219752e-05) ***** 
[1] xi(32)=0.999999999884 zeta(33)=0
Stats: nr=31 min=2 max=188 sum3=20811606
Safeguard: keep additional 1 states
Emax=8.00506339646 nrkept=402 nrkeptmult=986 
Total energy=-2.8874386452  Egs=-1.09432790551
Kept: 402 out of 1518, ratio=0.265
Memory used: 24 MB  Time elapsed: 9 s

 ***** [NRG] Iteration 34/66 (scale 7.7830463149779469e-06) ***** 
[1] xi(33)=0.999999999942 zeta(34)=0
Stats: nr=32 min=1 max=170 sum3=21932772
Safeguard: keep additional 3 states
Emax=8.01371923531 nrkept=386 nrkeptmult=964 
Total energy=-2.88744854652  Egs=-1.27216524202
Kept: 386 out of 1512, ratio=0.255
Memory used: 24 MB  Time elapsed: 9 s

 ***** [NRG] Iteration 35/66 (scale 5.5034448276098762e-06) ***** 
[1] xi(34)=0.999999999971 zeta(35)=0
Stats: nr=31 min=1 max=185 sum3=19779175
Safeguard: keep additional 4 states
Emax=8.026221134 nrkept=403 nrkeptmult=986 
Total energy=-2.88745418036  Egs=-1.0236931421
Kept: 403 out of 1459, ratio=0.276
Memory used: 24 MB  Time elapsed: 9 s

 ***** [NRG] Iteration 36/66 (scale 3.8915231574889735e-06) ***** 
[1] xi(35)=0.999999999985 zeta(36)=0
Stats: nr=32 min=1 max=170 sum3=21905598
Emax=8.03158117087 nrkept=375 nrkeptmult=919 
Total energy=-2.88745943774  Egs=-1.35098230696
Kept: 375 out of 1518, ratio=0.247
Memory used: 24 MB  Time elapsed: 10 s

 ***** [NRG] Iteration 37/66 (scale 2.7517224138049381e-06) ***** 
[1] xi(36)=0.999999999993 zeta(37)=0
Stats: nr=31 min=1 max=185 sum3=18829913
Safeguard: keep additional 4 states
Emax=8.03760629442 nrkept=394 nrkeptmult=952 
Total energy=-2.88746206557  Egs=-0.954977717817
Kept: 394 out of 1415, ratio=0.278
Memory used: 24 MB  Time elapsed: 10 s

 ***** [NRG] Iteration 38/66 (scale 1.9457615787444867e-06) ***** 
[1] xi(37)=0.999999999996 zeta(38)=0
Stats: nr=30 min=1 max=169 sum3=21098208
Emax=8.00456645078 nrkept=344 nrkeptmult=808 
Total energy=-2.88746484626  Egs=-1.42910089505
Kept: 344 out of 1482, ratio=0.232
Memory used: 24 MB  Time elapsed: 10 s

 ***** [NRG] Iteration 39/66 (scale 1.3758612069024691e-06) ***** 
[1] xi(38)=0.999999999998 zeta(39)=0
Stats: nr=31 min=1 max=177 sum3=15370987
Safeguard: keep additional 1 states
Emax=8.00105830121 nrkept=357 nrkeptmult=842 
Total energy=-2.88746608122  Egs=-0.897587056138
Kept: 357 out of 1291, ratio=0.277
Memory used: 24 MB  Time elapsed: 10 s

 ***** [NRG] Iteration 40/66 (scale 9.7288078937224336e-07) ***** 
[1] xi(39)=0.999999999999 zeta(40)=0
Stats: nr=26 min=1 max=160 sum3=17216932
Safeguard: keep additional 2 states
Emax=8.02437219557 nrkept=317 nrkeptmult=737 
Total energy=-2.8874675355  Egs=-1.4948212677
Kept: 317 out of 1342, ratio=0.236
Memory used: 24 MB  Time elapsed: 10 s

 ***** [NRG] Iteration 41/66 (scale 6.8793060345123453e-07) ***** 
[1] xi(40)=1 zeta(41)=0
Stats: nr=31 min=1 max=165 sum3=12188206
Emax=8.08764331262 nrkept=345 nrkeptmult=800 
Total energy=-2.88746812498  Egs=-0.856887005781
Kept: 345 out of 1186, ratio=0.291
Memory used: 24 MB  Time elapsed: 10 s

 ***** [NRG] Iteration 42/66 (scale 4.8644039468612168e-07) ***** 
[1] xi(41)=1 zeta(42)=0
Stats: nr=26 min=1 max=156 sum3=15790024
Safeguard: keep additional 1 states
Emax=8.00571328512 nrkept=287 nrkeptmult=663 
Total energy=-2.88746887473  Egs=-1.54129437894
Kept: 287 out of 1294, ratio=0.222
Memory used: 24 MB  Time elapsed: 10 s

 ***** [NRG] Iteration 43/66 (scale 3.4396530172561726e-07) ***** 
[1] xi(42)=1 zeta(43)=0
Stats: nr=29 min=1 max=150 sum3=9156228
Safeguard: keep additional 2 states
Emax=8.00443945155 nrkept=329 nrkeptmult=762 
Total energy=-2.8874691608  Egs=-0.831698442424
Kept: 329 out of 1074, ratio=0.306
Memory used: 24 MB  Time elapsed: 10 s

 ***** [NRG] Iteration 44/66 (scale 2.4322019734306084e-07) ***** 
[1] xi(43)=1 zeta(44)=0
Stats: nr=26 min=1 max=147 sum3=13279898
Safeguard: keep additional 1 states
Emax=8.03410588871 nrkept=265 nrkeptmult=601 
Total energy=-2.88746954262  Egs=-1.5698208768
Kept: 265 out of 1232, ratio=0.215
Memory used: 25 MB  Time elapsed: 10 s

 ***** [NRG] Iteration 45/66 (scale 1.7198265086280863e-07) ***** 
[1] xi(44)=1 zeta(45)=0
Stats: nr=29 min=1 max=139 sum3=7247466
Emax=8.00292479334 nrkept=284 nrkeptmult=654 
Total energy=-2.88746968321  Egs=-0.817491952558
Kept: 284 out of 990, ratio=0.287
Memory used: 25 MB  Time elapsed: 10 s

 ***** [NRG] Iteration 46/66 (scale 1.2161009867153042e-07) ***** 
[1] xi(45)=1 zeta(46)=0
Stats: nr=26 min=1 max=129 sum3=8911000
Emax=8.08724412504 nrkept=258 nrkeptmult=578 
Total energy=-2.88746987606  Egs=-1.58577366894
Kept: 258 out of 1060, ratio=0.243
Memory used: 25 MB  Time elapsed: 10 s

 ***** [NRG] Iteration 47/66 (scale 8.5991325431404316e-08) ***** 
[1] xi(46)=1 zeta(47)=0
Stats: nr=29 min=1 max=137 sum3=6825567
Emax=8.00534964575 nrkept=245 nrkeptmult=548 
Total energy=-2.8874699457  Egs=-0.809913496165
Kept: 245 out of 963, ratio=0.254
Memory used: 25 MB  Time elapsed: 11 s

 ***** [NRG] Iteration 48/66 (scale 6.080504933576521e-08) ***** 
[1] xi(47)=1 zeta(48)=0
Stats: nr=25 min=2 max=115 sum3=6033176
Emax=8.34315698048 nrkept=258 nrkeptmult=578 
Total energy=-2.88747004264  Egs=-1.59423007246
Kept: 258 out of 914, ratio=0.282
Memory used: 25 MB  Time elapsed: 11 s

 ***** [NRG] Iteration 49/66 (scale 4.2995662715702158e-08) ***** 
[1] xi(48)=1 zeta(49)=0
Stats: nr=29 min=1 max=137 sum3=6825567
Emax=8.09306862504 nrkept=237 nrkeptmult=524 
Total energy=-2.88747007729  Egs=-0.805994165159
Kept: 237 out of 963, ratio=0.246
Memory used: 25 MB  Time elapsed: 11 s

 ***** [NRG] Iteration 50/66 (scale 3.0402524667882605e-08) ***** 
[1] xi(49)=1 zeta(50)=0
Stats: nr=25 min=2 max=111 sum3=5457822
Emax=8.4974605493 nrkept=258 nrkeptmult=578 
Total energy=-2.88747012589  Egs=-1.59858632504
Kept: 258 out of 882, ratio=0.293
Memory used: 25 MB  Time elapsed: 11 s

 ***** [NRG] Iteration 51/66 (scale 2.1497831357851079e-08) ***** 
[1] xi(50)=1 zeta(51)=0
Stats: nr=29 min=1 max=137 sum3=6825567
Emax=8.17042329445 nrkept=237 nrkeptmult=524 
Total energy=-2.88747014318  Egs=-0.804000356598
Kept: 237 out of 963, ratio=0.246
Memory used: 25 MB  Time elapsed: 11 s

 ***** [NRG] Iteration 52/66 (scale 1.5201262333941303e-08) ***** 
[1] xi(51)=1 zeta(52)=0
Stats: nr=25 min=2 max=111 sum3=5457822
Safeguard: keep additional 1 states
Emax=8.53264074234 nrkept=259 nrkeptmult=579 
Total energy=-2.88747016751  Egs=-1.60079752963
Kept: 259 out of 882, ratio=0.294
Memory used: 25 MB  Time elapsed: 11 s

 ***** [NRG] Iteration 53/66 (scale 1.0748915678925539e-08) ***** 
[1] xi(52)=1 zeta(53)=0
Stats: nr=29 min=1 max=138 sum3=6955525
Safeguard: keep additional 2 states
Emax=8.00159414067 nrkept=234 nrkeptmult=518 
Total energy=-2.88747017614  Egs=-0.802994667117
Kept: 234 out of 967, ratio=0.242
Memory used: 25 MB  Time elapsed: 11 s

 ***** [NRG] Iteration 54/66 (scale 7.6006311669706513e-09) ***** 
[1] xi(53)=1 zeta(54)=0
Stats: nr=25 min=2 max=110 sum3=5275226
Safeguard: keep additional 2 states
Emax=8.00103143061 nrkept=257 nrkeptmult=575 
Total energy=-2.88747018832  Egs=-1.6019115698
Kept: 257 out of 872, ratio=0.295
Memory used: 25 MB  Time elapsed: 11 s

 ***** [NRG] Iteration 55/66 (scale 5.3744578394627697e-09) ***** 
[1] xi(54)=1 zeta(55)=0
Stats: nr=29 min=1 max=136 sum3=6707639
Safeguard: keep additional 1 states
Emax=8.00512840456 nrkept=230 nrkeptmult=510 
Total energy=-2.88747019263  Egs=-0.802489611647
Kept: 230 out of 959, ratio=0.24
Memory used: 25 MB  Time elapsed: 11 s

 ***** [NRG] Iteration 56/66 (scale 3.8003155834853256e-09) ***** 
[1] xi(55)=1 zeta(56)=0
Stats: nr=25 min=2 max=107 sum3=4915474
Emax=8.00070740715 nrkept=254 nrkeptmult=572 
Total energy=-2.88747019872  Egs=-1.6024707036
Kept: 254 out of 856, ratio=0.297
Memory used: 25 MB  Time elapsed: 11 s

 ***** [NRG] Iteration 57/66 (scale 2.6872289197313849e-09) ***** 
[1] xi(56)=1 zeta(57)=0
Stats: nr=29 min=1 max=135 sum3=6524006
Safeguard: keep additional 1 states
Emax=8.00849820967 nrkept=230 nrkeptmult=510 
Total energy=-2.88747020088  Egs=-0.802236527679
Kept: 230 out of 950, ratio=0.242
Memory used: 25 MB  Time elapsed: 11 s

 ***** [NRG] Iteration 58/66 (scale 1.9001577917426628e-09) ***** 
[1] xi(57)=1 zeta(58)=0
Stats: nr=25 min=2 max=107 sum3=4915474
Emax=8.00588927165 nrkept=252 nrkeptmult=568 
Total energy=-2.88747020392  Egs=-1.60275079624
Kept: 252 out of 856, ratio=0.294
Memory used: 25 MB  Time elapsed: 11 s

 ***** [NRG] Iteration 59/66 (scale 1.3436144598656924e-09) ***** 
[1] xi(58)=1 zeta(59)=0
Stats: nr=29 min=1 max=133 sum3=6287058
Safeguard: keep additional 1 states
Emax=8.01017284765 nrkept=230 nrkeptmult=510 
Total energy=-2.887470205  Egs=-0.802109803794
Kept: 230 out of 942, ratio=0.244
Memory used: 25 MB  Time elapsed: 11 s

 ***** [NRG] Iteration 60/66 (scale 9.5007889587133141e-10) ***** 
[1] xi(59)=1 zeta(60)=0
Stats: nr=25 min=2 max=107 sum3=4915474
Emax=8.00848059984 nrkept=252 nrkeptmult=568 
Total energy=-2.88747020652  Egs=-1.60289095438
Kept: 252 out of 856, ratio=0.294
Memory used: 25 MB  Time elapsed: 11 s

 ***** [NRG] Iteration 61/66 (scale 6.7180722993284622e-10) ***** 
[1] xi(60)=1 zeta(61)=0
Stats: nr=29 min=1 max=133 sum3=6287058
Safeguard: keep additional 1 states
Emax=8.01100808221 nrkept=230 nrkeptmult=510 
Total energy=-2.88747020706  Egs=-0.802046443807
Kept: 230 out of 942, ratio=0.244
Memory used: 25 MB  Time elapsed: 11 s

 ***** [NRG] Iteration 62/66 (scale 4.750394479356657e-10) ***** 
[1] xi(61)=1 zeta(62)=0
Stats: nr=25 min=2 max=107 sum3=4915474
Emax=8.0097762787 nrkept=252 nrkeptmult=568 
Total energy=-2.88747020782  Egs=-1.60296106476
Kept: 252 out of 856, ratio=0.294
Memory used: 25 MB  Time elapsed: 11 s

 ***** [NRG] Iteration 63/66 (scale 3.3590361496642311e-10) ***** 
[1] xi(62)=1 zeta(63)=0
Stats: nr=29 min=1 max=133 sum3=6287058
Safeguard: keep additional 1 states
Emax=8.01142514595 nrkept=230 nrkeptmult=510 
Total energy=-2.88747020809  Egs=-0.802014755365
Kept: 230 out of 942, ratio=0.244
Memory used: 25 MB  Time elapsed: 11 s

 ***** [NRG] Iteration 64/66 (scale 2.3751972396783285e-10) ***** 
[1] xi(63)=1 zeta(64)=0
Stats: nr=25 min=2 max=107 sum3=4915474
Emax=8.01042408301 nrkept=252 nrkeptmult=568 
Total energy=-2.88747020847  Egs=-1.60299612768
Kept: 252 out of 856, ratio=0.294
Memory used: 25 MB  Time elapsed: 11 s

 ***** [NRG] Iteration 65/66 (scale 1.6795180748321155e-10) ***** 
[1] xi(64)=1 zeta(65)=0
Stats: nr=29 min=1 max=133 sum3=6287058
Safeguard: keep additional 1 states
Emax=8.0116335422 nrkept=230 nrkeptmult=510 
Total energy=-2.88747020861  Egs=-0.801998909134
Kept: 230 out of 942, ratio=0.244
Memory used: 25 MB  Time elapsed: 11 s

 ***** [NRG] Iteration 66/66 (scale 1.1875986198391643e-10) ***** 
[1] xi(65)=1 zeta(66)=0
Stats: nr=25 min=2 max=107 sum3=4915474
Emax=8.01074798033 nrkept=252 nrkeptmult=568 
Total energy=-2.8874702088  Egs=-1.60301366096
Kept: 252 out of 856, ratio=0.294
Memory used: 25 MB  Time elapsed: 11 s

** Iteration completed.


Total energy:             -2.887470208799728
TKW=1.15177151428e-06
Grand canonical Z=              9.636535327975306
Zft (last shell)=               9.563538820701293

Memory usage report
===================
  after diag: 29004 kB
after recalc: 26568 kB
 after split: 30308 kB
  after trim: 26568 kB
 after trunc: 29080 kB
      diag_h: 29004 kB

Peak usage: 30308 kB

Timing report
=============
         All: 11 s
        diag: 9 s
       Other: 2 s
