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

>>  Input file for NRG Ljubljana, Rok Zitko, rok.zitko@ijs.si, 2005-2012
SYMMETRY TYPE: QS
>>  $Id: initial.m,v 1.1 2012/05/15 09:58:19 rokzitko Exp rokzitko $
>>  Using sneg version 	1.233
>>  Model: 	SIAM	 Variant: 		 Channels: 	1
>>  U=	0.01	 Gamma=	0.0006	 Delta=	0	 t=	0.
>> 
>>  Gamma^(1/2)=	0.019928474108038798
>>  Lambda=	2.	 BAND=	flat
>>  DISCRETIZATION=	Y	 z=	1.
>>  ops=	
V7
>>  Number of channels, impurities, subspaces: 
channels=1 impurities=1 subspaces=6
Reading <||||> (e)
Reading <||||> (z)

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

Number of invariant subspaces: 6
(-2 1) 1 states
0.0400083625075 
(-1 2) 2 states
0.0187153288189 0.0565873509882 
(0 1) 3 states
0 0.0400083625075 0.0753026798071 
(0 3) 1 states
0.0352943172996 
(1 2) 2 states
0.0187153288189 0.0565873509882 
(2 1) 1 states
0.0400083625075 
Number of states (multiplicity taken into account): 16

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

Computing the following spectra:

Before NRG iteration (N=-1)

 ***** [NRG] Iteration 1/66 (scale 0.75) ***** 
[1] xi(0)=0.755928946018 zeta(1)=0
Stats: nr=10 min=1 max=8 sum3=1055
Emax=3.03223356398 nrkept=35 nrkeptmult=64 
Total energy=-1.13458758649  Egs=-1.46286974646
Kept: 35 out of 35, ratio=1
Memory used: 3 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 2/66 (scale 0.5303300858899106) ***** 
[1] xi(1)=0.814613079963 zeta(2)=0
Stats: nr=15 min=1 max=20 sum3=30066
Emax=5.46906645371 nrkept=126 nrkeptmult=256 
Total energy=-1.44770524107  Egs=-0.590420311622
Kept: 126 out of 126, ratio=1
Memory used: 3 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 3/66 (scale 0.375) ***** 
[1] xi(2)=0.892494029723 zeta(3)=0
Stats: nr=21 min=1 max=75 sum3=1007202
Emax=10.0029906993 nrkept=456 nrkeptmult=1014 
Total energy=-2.00058167083  Egs=-1.47433714604
Kept: 456 out of 462, ratio=0.987
Memory used: 3 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 4/66 (scale 0.26516504294495535) ***** 
[1] xi(3)=0.942104180991 zeta(4)=0
Stats: nr=28 min=1 max=206 sum3=35392418
Safeguard: keep additional 2 states
Emax=10.8942634991 nrkept=1261 nrkeptmult=3043 
Total energy=-2.20839222444  Egs=-0.783702675507
Kept: 1261 out of 1694, ratio=0.744
Memory used: 8 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 5/66 (scale 0.1875) ***** 
[1] xi(4)=0.96993426226 zeta(5)=0
Stats: nr=36 min=1 max=561 sum3=561116058
Safeguard: keep additional 2 states
Emax=10.0074861573 nrkept=1685 nrkeptmult=4170 
Total energy=-2.49139149196  Egs=-1.5093294268
Kept: 1685 out of 4734, ratio=0.356
Memory used: 12 MB  Time elapsed: 1 s

 ***** [NRG] Iteration 6/66 (scale 0.13258252147247768) ***** 
[1] xi(5)=0.984675515632 zeta(6)=0
Stats: nr=42 min=1 max=647 sum3=1250923760
Safeguard: keep additional 2 states
Emax=10.8588173407 nrkept=2123 nrkeptmult=5283 
Total energy=-2.60429394345  Egs=-0.851563616607
Kept: 2123 out of 6338, ratio=0.335
Memory used: 16 MB  Time elapsed: 5 s

 ***** [NRG] Iteration 7/66 (scale 0.09375) ***** 
[1] xi(6)=0.992263204714 zeta(7)=0
Stats: nr=44 min=1 max=909 sum3=2513786264
Safeguard: keep additional 3 states
Emax=10.031697638 nrkept=1786 nrkeptmult=4412 
Total energy=-2.74530529605  Egs=-1.50412109446
Kept: 1786 out of 8006, ratio=0.223
Memory used: 15 MB  Time elapsed: 12 s

 ***** [NRG] Iteration 8/66 (scale 0.066291260736238838) ***** 
[1] xi(7)=0.996112749408 zeta(8)=0
Stats: nr=42 min=1 max=693 sum3=1525786532
Safeguard: keep additional 2 states
Emax=10.0415546321 nrkept=2091 nrkeptmult=5209 
Total energy=-2.80386614225  Egs=-0.883387124416
Kept: 2091 out of 6722, ratio=0.311
Memory used: 16 MB  Time elapsed: 16 s

 ***** [NRG] Iteration 9/66 (scale 0.046875) ***** 
[1] xi(8)=0.998051634085 zeta(9)=0
Stats: nr=44 min=1 max=893 sum3=2392945009
Safeguard: keep additional 1 states
Emax=10.0013044416 nrkept=1676 nrkeptmult=4166 
Total energy=-2.87344355722  Egs=-1.48431818596
Kept: 1676 out of 7885, ratio=0.213
Memory used: 15 MB  Time elapsed: 23 s

 ***** [NRG] Iteration 10/66 (scale 0.033145630368119419) ***** 
[1] xi(9)=0.99902462843 zeta(10)=0
Stats: nr=42 min=1 max=657 sum3=1287061104
Emax=10.0525806214 nrkept=1873 nrkeptmult=4641 
Total energy=-2.90347074064  Egs=-0.905916800764
Kept: 1873 out of 6330, ratio=0.296
Memory used: 15 MB  Time elapsed: 26 s

 ***** [NRG] Iteration 11/66 (scale 0.0234375) ***** 
[1] xi(10)=0.999512016628 zeta(11)=0
Stats: nr=42 min=1 max=815 sum3=1779247980
Safeguard: keep additional 4 states
Emax=10.0026010026 nrkept=1635 nrkeptmult=4054 
Total energy=-2.9377095047  Egs=-1.46085393335
Kept: 1635 out of 7056, ratio=0.232
Memory used: 15 MB  Time elapsed: 32 s

 ***** [NRG] Iteration 12/66 (scale 0.01657281518405971) ***** 
[1] xi(11)=0.999755933863 zeta(12)=0
Stats: nr=42 min=1 max=638 sum3=1179854376
Emax=10.0083093085 nrkept=1737 nrkeptmult=4323 
Total energy=-2.95303083793  Egs=-0.924485856007
Kept: 1737 out of 6168, ratio=0.282
Memory used: 16 MB  Time elapsed: 35 s

 ***** [NRG] Iteration 13/66 (scale 0.01171875) ***** 
[1] xi(12)=0.999877948312 zeta(13)=0
Stats: nr=42 min=1 max=757 sum3=1424611469
Safeguard: keep additional 1 states
Emax=10.0067121234 nrkept=1560 nrkeptmult=3846 
Total energy=-2.96988906816  Egs=-1.43856897936
Kept: 1560 out of 6545, ratio=0.238
Memory used: 15 MB  Time elapsed: 40 s

 ***** [NRG] Iteration 14/66 (scale 0.0082864075920298548) ***** 
[1] xi(13)=0.9999389695 zeta(14)=0
Stats: nr=42 min=1 max=611 sum3=1031149072
Emax=10.0004107316 nrkept=1683 nrkeptmult=4185 
Total energy=-2.97767436057  Egs=-0.939525641793
Kept: 1683 out of 5878, ratio=0.286
Memory used: 15 MB  Time elapsed: 43 s

 ***** [NRG] Iteration 15/66 (scale 0.005859375) ***** 
[1] xi(14)=0.999969483586 zeta(15)=0
Stats: nr=42 min=1 max=728 sum3=1279469457
Emax=10.0147693897 nrkept=1471 nrkeptmult=3644 
Total energy=-2.98598942857  Egs=-1.41910493768
Kept: 1471 out of 6333, ratio=0.232
Memory used: 14 MB  Time elapsed: 47 s

 ***** [NRG] Iteration 16/66 (scale 0.0041432037960149274) ***** 
[1] xi(15)=0.999984741502 zeta(16)=0
Stats: nr=40 min=1 max=578 sum3=883736808
Emax=10.0048696711 nrkept=1500 nrkeptmult=3702 
Total energy=-2.98993476212  Egs=-0.952242214116
Kept: 1500 out of 5538, ratio=0.271
Memory used: 14 MB  Time elapsed: 50 s

 ***** [NRG] Iteration 17/66 (scale 0.0029296875) ***** 
[1] xi(16)=0.999992370678 zeta(17)=0
Stats: nr=40 min=1 max=663 sum3=936024115
Safeguard: keep additional 2 states
Emax=10.0038768367 nrkept=1258 nrkeptmult=3124 
Total energy=-2.99404003185  Egs=-1.40126540122
Kept: 1258 out of 5653, ratio=0.223
Memory used: 14 MB  Time elapsed: 53 s

 ***** [NRG] Iteration 18/66 (scale 0.0020716018980074637) ***** 
[1] xi(17)=0.999996185321 zeta(18)=0
Stats: nr=40 min=1 max=498 sum3=560718904
Emax=10.045098781 nrkept=1271 nrkeptmult=3141 
Total energy=-2.99603956254  Egs=-0.965209913047
Kept: 1271 out of 4738, ratio=0.268
Memory used: 14 MB  Time elapsed: 55 s

 ***** [NRG] Iteration 19/66 (scale 0.00146484375) ***** 
[1] xi(18)=0.999998092656 zeta(19)=0
Stats: nr=34 min=1 max=568 sum3=591604249
Safeguard: keep additional 2 states
Emax=10.0016522913 nrkept=1086 nrkeptmult=2720 
Total energy=-2.99806475378  Egs=-1.38253055598
Kept: 1086 out of 4789, ratio=0.227
Memory used: 15 MB  Time elapsed: 57 s

 ***** [NRG] Iteration 20/66 (scale 0.0010358009490037319) ***** 
[1] xi(19)=0.999999046327 zeta(20)=0
Stats: nr=40 min=1 max=436 sum3=375271444
Safeguard: keep additional 2 states
Emax=10.007509842 nrkept=1086 nrkeptmult=2730 
Total energy=-2.99908058438  Egs=-0.980719894286
Kept: 1086 out of 4102, ratio=0.265
Memory used: 15 MB  Time elapsed: 58 s

 ***** [NRG] Iteration 21/66 (scale 0.000732421875) ***** 
[1] xi(20)=0.999999523163 zeta(21)=0
Stats: nr=34 min=1 max=487 sum3=374573136
Emax=10.0019774722 nrkept=875 nrkeptmult=2240 
Total energy=-3.00007726173  Egs=-1.36079679996
Kept: 875 out of 4104, ratio=0.213
Memory used: 14 MB  Time elapsed: 59 s

 ***** [NRG] Iteration 22/66 (scale 0.00051790047450186593) ***** 
[1] xi(21)=0.999999761581 zeta(22)=0
Stats: nr=40 min=1 max=359 sum3=198923416
Emax=10.0004188143 nrkept=926 nrkeptmult=2356 
Total energy=-3.00059522154  Egs=-1.00011457282
Kept: 926 out of 3316, ratio=0.279
Memory used: 14 MB  Time elapsed: 60 s

 ***** [NRG] Iteration 23/66 (scale 0.0003662109375) ***** 
[1] xi(22)=0.999999880791 zeta(23)=0
Stats: nr=34 min=1 max=420 sum3=239287039
Emax=10.0088893328 nrkept=835 nrkeptmult=2142 
Total energy=-3.00108400013  Egs=-1.33469140168
Kept: 835 out of 3505, ratio=0.238
Memory used: 16 MB  Time elapsed: 61 s

 ***** [NRG] Iteration 24/66 (scale 0.00025895023725093296) ***** 
[1] xi(23)=0.999999940395 zeta(24)=0
Stats: nr=40 min=1 max=345 sum3=173442954
Safeguard: keep additional 1 states
Emax=10.0064400174 nrkept=874 nrkeptmult=2196 
Total energy=-3.0013492589  Egs=-1.0243619542
Kept: 874 out of 3162, ratio=0.276
Memory used: 14 MB  Time elapsed: 61 s

 ***** [NRG] Iteration 25/66 (scale 0.00018310546875) ***** 
[1] xi(24)=0.999999970198 zeta(25)=0
Stats: nr=34 min=1 max=400 sum3=202383877
Emax=10.0066877952 nrkept=815 nrkeptmult=2082 
Total energy=-3.00158786042  Egs=-1.30308247463
Kept: 815 out of 3301, ratio=0.247
Memory used: 15 MB  Time elapsed: 62 s

 ***** [NRG] Iteration 26/66 (scale 0.00012947511862546648) ***** 
[1] xi(25)=0.999999985099 zeta(26)=0
Stats: nr=40 min=1 max=333 sum3=160498672
Safeguard: keep additional 1 states
Emax=10.0024187304 nrkept=846 nrkeptmult=2112 
Total energy=-3.00172440647  Egs=-1.05461221543
Kept: 846 out of 3082, ratio=0.274
Memory used: 14 MB  Time elapsed: 63 s

 ***** [NRG] Iteration 27/66 (scale 9.1552734375e-05) ***** 
[1] xi(26)=0.999999992549 zeta(27)=0
Stats: nr=34 min=1 max=388 sum3=184673379
Safeguard: keep additional 2 states
Emax=10.0126538075 nrkept=812 nrkeptmult=2078 
Total energy=-3.00184019654  Egs=-1.26473641568
Kept: 812 out of 3189, ratio=0.255
Memory used: 15 MB  Time elapsed: 63 s

 ***** [NRG] Iteration 28/66 (scale 6.4737559312733241e-05) ***** 
[1] xi(27)=0.999999996275 zeta(28)=0
Stats: nr=40 min=1 max=332 sum3=158201808
Emax=10.0091104159 nrkept=835 nrkeptmult=2081 
Total energy=-3.00191091591  Egs=-1.09240088609
Kept: 835 out of 3072, ratio=0.272
Memory used: 15 MB  Time elapsed: 64 s

 ***** [NRG] Iteration 29/66 (scale 4.57763671875e-05) ***** 
[1] xi(28)=0.999999998137 zeta(29)=0
Stats: nr=34 min=1 max=385 sum3=177996556
Safeguard: keep additional 4 states
Emax=10.0096561984 nrkept=809 nrkeptmult=2072 
Total energy=-3.00196668586  Egs=-1.21831322444
Kept: 809 out of 3148, ratio=0.257
Memory used: 15 MB  Time elapsed: 65 s

 ***** [NRG] Iteration 30/66 (scale 3.236877965636662e-05) ***** 
[1] xi(29)=0.999999999069 zeta(30)=0
Stats: nr=40 min=1 max=331 sum3=156000882
Safeguard: keep additional 2 states
Emax=10.0109022252 nrkept=810 nrkeptmult=2016 
Total energy=-3.00200357305  Egs=-1.13959145227
Kept: 810 out of 3060, ratio=0.265
Memory used: 15 MB  Time elapsed: 65 s

 ***** [NRG] Iteration 31/66 (scale 2.288818359375e-05) ***** 
[1] xi(30)=0.999999999534 zeta(31)=0
Stats: nr=34 min=1 max=374 sum3=162407543
Emax=10.0024459181 nrkept=801 nrkeptmult=2056 
Total energy=-3.00203018604  Egs=-1.16273916542
Kept: 801 out of 3053, ratio=0.262
Memory used: 16 MB  Time elapsed: 66 s

 ***** [NRG] Iteration 32/66 (scale 1.618438982818331e-05) ***** 
[1] xi(31)=0.999999999767 zeta(32)=0
Stats: nr=40 min=1 max=329 sum3=151589632
Safeguard: keep additional 1 states
Emax=10.0018279023 nrkept=776 nrkeptmult=1948 
Total energy=-3.00204957406  Egs=-1.19794589758
Kept: 776 out of 3028, ratio=0.256
Memory used: 15 MB  Time elapsed: 66 s

 ***** [NRG] Iteration 33/66 (scale 1.1444091796875e-05) ***** 
[1] xi(32)=0.999999999884 zeta(33)=0
Stats: nr=34 min=1 max=358 sum3=143068099
Safeguard: keep additional 3 states
Emax=10.0061801686 nrkept=797 nrkeptmult=2022 
Total energy=-3.00206214165  Egs=-1.09817319641
Kept: 797 out of 2929, ratio=0.272
Memory used: 15 MB  Time elapsed: 67 s

 ***** [NRG] Iteration 34/66 (scale 8.0921949140916551e-06) ***** 
[1] xi(33)=0.999999999942 zeta(34)=0
Stats: nr=38 min=1 max=326 sum3=149796164
Safeguard: keep additional 2 states
Emax=10.0286174116 nrkept=767 nrkeptmult=1931 
Total energy=-3.00207240201  Egs=-1.26793242838
Kept: 767 out of 3008, ratio=0.255
Memory used: 15 MB  Time elapsed: 68 s

 ***** [NRG] Iteration 35/66 (scale 5.7220458984375e-06) ***** 
[1] xi(34)=0.999999999971 zeta(35)=0
Stats: nr=34 min=1 max=351 sum3=136794230
Safeguard: keep additional 3 states
Emax=10.0081206339 nrkept=778 nrkeptmult=1956 
Total energy=-3.00207828252  Egs=-1.02769263372
Kept: 778 out of 2894, ratio=0.269
Memory used: 15 MB  Time elapsed: 68 s

 ***** [NRG] Iteration 36/66 (scale 4.0460974570458275e-06) ***** 
[1] xi(35)=0.999999999985 zeta(36)=0
Stats: nr=38 min=1 max=323 sum3=143911802
Emax=10.0076853828 nrkept=747 nrkeptmult=1881 
Total energy=-3.00208373047  Egs=-1.34647210048
Kept: 747 out of 2936, ratio=0.254
Memory used: 15 MB  Time elapsed: 69 s

 ***** [NRG] Iteration 37/66 (scale 2.86102294921875e-06) ***** 
[1] xi(36)=0.999999999993 zeta(37)=0
Stats: nr=34 min=1 max=342 sum3=126738079
Safeguard: keep additional 2 states
Emax=10.0168085314 nrkept=753 nrkeptmult=1888 
Total energy=-3.00208647309  Egs=-0.958613123257
Kept: 753 out of 2821, ratio=0.267
Memory used: 15 MB  Time elapsed: 69 s

 ***** [NRG] Iteration 38/66 (scale 2.0230487285229138e-06) ***** 
[1] xi(37)=0.999999999996 zeta(38)=0
Stats: nr=38 min=1 max=314 sum3=132096960
Safeguard: keep additional 2 states
Emax=10.001454413 nrkept=692 nrkeptmult=1712 
Total energy=-3.00208935582  Egs=-1.42494528918
Kept: 692 out of 2844, ratio=0.243
Memory used: 16 MB  Time elapsed: 70 s

 ***** [NRG] Iteration 39/66 (scale 1.430511474609375e-06) ***** 
[1] xi(38)=0.999999999998 zeta(39)=0
Stats: nr=33 min=1 max=324 sum3=105829393
Safeguard: keep additional 3 states
Emax=10.0066315443 nrkept=709 nrkeptmult=1744 
Total energy=-3.00209064383  Egs=-0.900382847263
Kept: 709 out of 2611, ratio=0.272
Memory used: 15 MB  Time elapsed: 70 s

 ***** [NRG] Iteration 40/66 (scale 1.0115243642614569e-06) ***** 
[1] xi(39)=0.999999999999 zeta(40)=0
Stats: nr=36 min=1 max=296 sum3=113592734
Safeguard: keep additional 2 states
Emax=10.0035148557 nrkept=636 nrkeptmult=1544 
Total energy=-3.00209215264  Egs=-1.49161998624
Kept: 636 out of 2672, ratio=0.238
Memory used: 15 MB  Time elapsed: 70 s

 ***** [NRG] Iteration 41/66 (scale 7.152557373046875e-07) ***** 
[1] xi(40)=1 zeta(41)=0
Stats: nr=33 min=1 max=304 sum3=84124470
Safeguard: keep additional 1 states
Emax=10.0094607453 nrkept=656 nrkeptmult=1588 
Total energy=-3.00209276685  Egs=-0.858724819957
Kept: 656 out of 2394, ratio=0.274
Memory used: 16 MB  Time elapsed: 71 s

 ***** [NRG] Iteration 42/66 (scale 5.0576218213072844e-07) ***** 
[1] xi(41)=1 zeta(42)=0
Stats: nr=36 min=1 max=276 sum3=91791798
Safeguard: keep additional 2 states
Emax=10.0462491211 nrkept=581 nrkeptmult=1389 
Total energy=-3.00209354532  Egs=-1.53920388506
Kept: 581 out of 2466, ratio=0.236
Memory used: 15 MB  Time elapsed: 71 s

 ***** [NRG] Iteration 43/66 (scale 3.5762786865234375e-07) ***** 
[1] xi(42)=1 zeta(43)=0
Stats: nr=33 min=1 max=283 sum3=65793117
Safeguard: keep additional 1 states
Emax=10.0225209395 nrkept=589 nrkeptmult=1402 
Total energy=-3.00209384314  Egs=-0.832774948178
Kept: 589 out of 2181, ratio=0.27
Memory used: 16 MB  Time elapsed: 71 s

 ***** [NRG] Iteration 44/66 (scale 2.5288109106536422e-07) ***** 
[1] xi(43)=1 zeta(44)=0
Stats: nr=36 min=1 max=251 sum3=67223648
Safeguard: keep additional 3 states
Emax=10.0031546868 nrkept=529 nrkeptmult=1243 
Total energy=-3.00209423981  Egs=-1.56860745191
Kept: 529 out of 2210, ratio=0.239
Memory used: 17 MB  Time elapsed: 72 s

 ***** [NRG] Iteration 45/66 (scale 1.7881393432617188e-07) ***** 
[1] xi(44)=1 zeta(45)=0
Stats: nr=33 min=1 max=259 sum3=50085218
Emax=10.0842021915 nrkept=567 nrkeptmult=1322 
Total energy=-3.0020943861  Egs=-0.818078746533
Kept: 567 out of 1982, ratio=0.286
Memory used: 17 MB  Time elapsed: 72 s

 ***** [NRG] Iteration 46/66 (scale 1.2644054553268211e-07) ***** 
[1] xi(45)=1 zeta(46)=0
Stats: nr=34 min=1 max=244 sum3=61218744
Safeguard: keep additional 1 states
Emax=10.0336761317 nrkept=501 nrkeptmult=1157 
Total energy=-3.00209458652  Egs=-1.5851172704
Kept: 501 out of 2124, ratio=0.236
Memory used: 17 MB  Time elapsed: 72 s

 ***** [NRG] Iteration 47/66 (scale 8.9406967163085938e-08) ***** 
[1] xi(46)=1 zeta(47)=0
Stats: nr=33 min=1 max=245 sum3=42665008
Emax=10.549051932 nrkept=567 nrkeptmult=1322 
Total energy=-3.00209465896  Egs=-0.810220545221
Kept: 567 out of 1870, ratio=0.303
Memory used: 17 MB  Time elapsed: 72 s

 ***** [NRG] Iteration 48/66 (scale 6.3220272766341055e-08) ***** 
[1] xi(47)=1 zeta(48)=0
Stats: nr=34 min=1 max=244 sum3=61218744
Safeguard: keep additional 1 states
Emax=10.2499096837 nrkept=499 nrkeptmult=1149 
Total energy=-3.00209475972  Egs=-1.59388834268
Kept: 499 out of 2124, ratio=0.235
Memory used: 17 MB  Time elapsed: 72 s

 ***** [NRG] Iteration 49/66 (scale 4.4703483581542969e-08) ***** 
[1] xi(48)=1 zeta(49)=0
Stats: nr=33 min=1 max=245 sum3=42367736
Emax=10.6912243262 nrkept=567 nrkeptmult=1322 
Total energy=-3.00209479576  Egs=-0.806151336274
Kept: 567 out of 1862, ratio=0.305
Memory used: 17 MB  Time elapsed: 73 s

 ***** [NRG] Iteration 50/66 (scale 3.1610136383170528e-08) ***** 
[1] xi(49)=1 zeta(50)=0
Stats: nr=34 min=1 max=244 sum3=61218744
Safeguard: keep additional 1 states
Emax=10.4298144285 nrkept=499 nrkeptmult=1149 
Total energy=-3.00209484629  Egs=-1.59841193135
Kept: 499 out of 2124, ratio=0.235
Memory used: 17 MB  Time elapsed: 73 s

 ***** [NRG] Iteration 51/66 (scale 2.2351741790771484e-08) ***** 
[1] xi(50)=1 zeta(51)=0
Stats: nr=33 min=1 max=245 sum3=42367736
Emax=10.7655782576 nrkept=567 nrkeptmult=1322 
Total energy=-3.00209486426  Egs=-0.804079896889
Kept: 567 out of 1862, ratio=0.305
Memory used: 17 MB  Time elapsed: 73 s

 ***** [NRG] Iteration 52/66 (scale 1.5805068191585264e-08) ***** 
[1] xi(51)=1 zeta(52)=0
Stats: nr=34 min=1 max=244 sum3=61218744
Emax=10.5044810525 nrkept=498 nrkeptmult=1142 
Total energy=-3.00209488956  Egs=-1.60070943237
Kept: 498 out of 2124, ratio=0.234
Memory used: 17 MB  Time elapsed: 73 s

 ***** [NRG] Iteration 53/66 (scale 1.1175870895385742e-08) ***** 
[1] xi(52)=1 zeta(53)=0
Stats: nr=33 min=1 max=246 sum3=42402345
Emax=10.8036868223 nrkept=567 nrkeptmult=1322 
Total energy=-3.00209489853  Egs=-0.803034723982
Kept: 567 out of 1857, ratio=0.305
Memory used: 17 MB  Time elapsed: 73 s

 ***** [NRG] Iteration 54/66 (scale 7.9025340957926319e-09) ***** 
[1] xi(53)=1 zeta(54)=0
Stats: nr=34 min=1 max=244 sum3=61218744
Emax=10.5152231951 nrkept=498 nrkeptmult=1142 
Total energy=-3.00209491119  Egs=-1.60186726309
Kept: 498 out of 2124, ratio=0.234
Memory used: 17 MB  Time elapsed: 74 s

 ***** [NRG] Iteration 55/66 (scale 5.5879354476928711e-09) ***** 
[1] xi(54)=1 zeta(55)=0
Stats: nr=33 min=1 max=246 sum3=42402345
Emax=10.8228465759 nrkept=567 nrkeptmult=1322 
Total energy=-3.00209491568  Egs=-0.802509742354
Kept: 567 out of 1857, ratio=0.305
Memory used: 17 MB  Time elapsed: 74 s

 ***** [NRG] Iteration 56/66 (scale 3.951267047896316e-09) ***** 
[1] xi(55)=1 zeta(56)=0
Stats: nr=34 min=1 max=244 sum3=61218744
Emax=10.5206342694 nrkept=498 nrkeptmult=1142 
Total energy=-3.00209492201  Egs=-1.60244846798
Kept: 498 out of 2124, ratio=0.234
Memory used: 17 MB  Time elapsed: 74 s

 ***** [NRG] Iteration 57/66 (scale 2.7939677238464355e-09) ***** 
[1] xi(56)=1 zeta(57)=0
Stats: nr=33 min=1 max=246 sum3=42402345
Emax=10.8314153128 nrkept=567 nrkeptmult=1324 
Total energy=-3.00209492425  Egs=-0.80224664868
Kept: 567 out of 1857, ratio=0.305
Memory used: 17 MB  Time elapsed: 74 s

 ***** [NRG] Iteration 58/66 (scale 1.975633523948158e-09) ***** 
[1] xi(57)=1 zeta(58)=0
Stats: nr=34 min=1 max=243 sum3=60833952
Emax=10.5233605802 nrkept=498 nrkeptmult=1142 
Total energy=-3.00209492742  Egs=-1.60273964525
Kept: 498 out of 2124, ratio=0.234
Memory used: 18 MB  Time elapsed: 74 s

 ***** [NRG] Iteration 59/66 (scale 1.3969838619232178e-09) ***** 
[1] xi(58)=1 zeta(59)=0
Stats: nr=33 min=1 max=246 sum3=42402345
Emax=10.8345340848 nrkept=567 nrkeptmult=1324 
Total energy=-3.00209492854  Egs=-0.802114950616
Kept: 567 out of 1857, ratio=0.305
Memory used: 18 MB  Time elapsed: 75 s

 ***** [NRG] Iteration 60/66 (scale 9.8781676197407899e-10) ***** 
[1] xi(59)=1 zeta(60)=0
Stats: nr=34 min=1 max=243 sum3=60833952
Emax=10.524721363 nrkept=498 nrkeptmult=1142 
Total energy=-3.00209493012  Egs=-1.6028853779
Kept: 498 out of 2124, ratio=0.234
Memory used: 18 MB  Time elapsed: 75 s

 ***** [NRG] Iteration 61/66 (scale 6.9849193096160889e-10) ***** 
[1] xi(60)=1 zeta(61)=0
Stats: nr=33 min=1 max=246 sum3=42402345
Emax=10.8360908937 nrkept=567 nrkeptmult=1324 
Total energy=-3.00209493068  Egs=-0.802049063714
Kept: 567 out of 1857, ratio=0.305
Memory used: 18 MB  Time elapsed: 75 s

 ***** [NRG] Iteration 62/66 (scale 4.9390838098703949e-10) ***** 
[1] xi(61)=1 zeta(62)=0
Stats: nr=34 min=1 max=243 sum3=60833952
Emax=10.5254024049 nrkept=498 nrkeptmult=1142 
Total energy=-3.00209493147  Egs=-1.60295828027
Kept: 498 out of 2124, ratio=0.234
Memory used: 18 MB  Time elapsed: 75 s

 ***** [NRG] Iteration 63/66 (scale 3.4924596548080444e-10) ***** 
[1] xi(62)=1 zeta(63)=0
Stats: nr=33 min=1 max=246 sum3=42402345
Emax=10.8368686565 nrkept=567 nrkeptmult=1324 
Total energy=-3.00209493175  Egs=-0.802016110787
Kept: 567 out of 1857, ratio=0.305
Memory used: 18 MB  Time elapsed: 75 s

 ***** [NRG] Iteration 64/66 (scale 2.4695419049351975e-10) ***** 
[1] xi(63)=1 zeta(64)=0
Stats: nr=34 min=1 max=243 sum3=60833952
Emax=10.5257430887 nrkept=498 nrkeptmult=1142 
Total energy=-3.00209493215  Egs=-1.60299474046
Kept: 498 out of 2124, ratio=0.234
Memory used: 18 MB  Time elapsed: 76 s

 ***** [NRG] Iteration 65/66 (scale 1.7462298274040222e-10) ***** 
[1] xi(64)=1 zeta(65)=0
Stats: nr=33 min=1 max=246 sum3=42402345
Emax=10.8372573794 nrkept=567 nrkeptmult=1324 
Total energy=-3.00209493229  Egs=-0.801999631955
Kept: 567 out of 1857, ratio=0.305
Memory used: 18 MB  Time elapsed: 76 s

 ***** [NRG] Iteration 66/66 (scale 1.2347709524675987e-10) ***** 
[1] xi(65)=1 zeta(66)=0
Stats: nr=34 min=1 max=243 sum3=60833952
Emax=10.5259134714 nrkept=498 nrkeptmult=1142 
Total energy=-3.00209493249  Egs=-1.60301297282
Kept: 498 out of 2124, ratio=0.234
Memory used: 18 MB  Time elapsed: 76 s

** Iteration completed.


Total energy:             -3.002094932487465
TKW=1.14847495515e-06
Grand canonical Z=              9.640006074417412
Zft (last shell)=               9.624320844804465

Memory usage report
===================
  after diag: 65004 kB
after recalc: 22612 kB
 after split: 86060 kB
  after trim: 18900 kB
 after trunc: 65192 kB
      diag_h: 65004 kB

Peak usage: 86060 kB

Timing report
=============
         All: 76 s
        diag: 75 s
       Other: 1 s
