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 May 31 2013 at 17:57:13

Parallelization using MPI: Running on 1 processors.

Using Intel MKL library 10.3.9
Processor optimization: Intel(R) Core(TM) i7 Processor
max_threads=8 blas_max_threads=8 dynamic=1

workdir=.
Tmin=1e-10 -> Nmax=67
TEMPERATURE T=1.41230072848e-10
Nmax=67
Tmin=1e-10
Ninit=0
Lambda=2
strategy=kept
lastall=0
lastalloverride=0
z=0.25
discretization=Z
band=flat
betabar=1
T=1.41230072848e-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=1
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=	0.004	 t=	0.
>> 
>>  Gamma^(1/2)=	0.019544100476116797
>>  Lambda=	2.	 BAND=	flat
>>  DISCRETIZATION=	Z	 z=	0.25
>>  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=0.25
# keep=5000 keepenergy=10 Nmax=67 channels=1 dots=1 betabar=1

Number of invariant subspaces: 6
(-2 1) 1 states
0.0220599822641 
(-1 2) 2 states
0.0103732507802 0.0331638487687 
(0 1) 3 states
0 0.0243612447363 0.0458987569117 
(0 3) 1 states
0.0214771172848 
(1 2) 2 states
0.0124103787802 0.0357896406037 
(2 1) 1 states
0.0267229020991 
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 1/67 (scale 1.2131570881878404) ***** 
[1] xi(0)=0.473132378817 zeta(1)=0
Stats: nr=10 min=1 max=8 sum3=1055
Emax=1.90103179416 nrkept=35 nrkeptmult=64 
Total energy=-1.14462737447  Egs=-0.916435213019
Kept: 35 out of 35, ratio=1
Memory used: 10 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 2/67 (scale 0.85783160370214839) ***** 
[1] xi(1)=0.631518937152 zeta(2)=0
Stats: nr=15 min=1 max=20 sum3=30066
Emax=3.74437961087 nrkept=126 nrkeptmult=256 
Total energy=-1.59946931143  Egs=-0.530222872417
Kept: 126 out of 126, ratio=1
Memory used: 11 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 3/67 (scale 0.6065785440939202) ***** 
[1] xi(2)=0.974788923894 zeta(3)=0
Stats: nr=21 min=1 max=75 sum3=1007202
Emax=8.49166027956 nrkept=462 nrkeptmult=1024 
Total energy=-2.56693361338  Egs=-1.59495305491
Kept: 462 out of 462, ratio=1
Memory used: 12 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 4/67 (scale 0.4289158018510742) ***** 
[1] xi(3)=1.2027371305 zeta(4)=0
Stats: nr=28 min=1 max=210 sum3=37226316
Safeguard: keep additional 1 states
Emax=10.3158392811 nrkept=1468 nrkeptmult=3540 
Total energy=-3.04736223474  Egs=-1.12010007393
Kept: 1468 out of 1716, ratio=0.855
Memory used: 20 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 5/67 (scale 0.3032892720469601) ***** 
[1] xi(4)=1.12253968187 zeta(5)=0
Stats: nr=36 min=1 max=655 sum3=887844448
Emax=10.3375506026 nrkept=2232 nrkeptmult=5614 
Total energy=-3.54535253667  Egs=-1.64196477696
Kept: 2232 out of 5512, ratio=0.405
Memory used: 33 MB  Time elapsed: 1 s

 ***** [NRG] Iteration 6/67 (scale 0.2144579009255371) ***** 
[1] xi(5)=1.03243378845 zeta(6)=0
Stats: nr=42 min=2 max=841 sum3=2779096102
Emax=10.0112589914 nrkept=2237 nrkeptmult=5540 
Total energy=-3.73535386728  Egs=-0.88596097319
Kept: 2237 out of 8428, ratio=0.265
Memory used: 39 MB  Time elapsed: 4 s

 ***** [NRG] Iteration 7/67 (scale 0.15164463602348005) ***** 
[1] xi(6)=1.00829687067 zeta(7)=0
Stats: nr=44 min=1 max=963 sum3=2967481681
Emax=10.0313207192 nrkept=2083 nrkeptmult=5174 
Total energy=-3.96715671003  Egs=-1.52859243045
Kept: 2083 out of 8425, ratio=0.247
Memory used: 41 MB  Time elapsed: 7 s

 ***** [NRG] Iteration 8/67 (scale 0.10722895046276855) ***** 
[1] xi(7)=1.00300214986 zeta(8)=0
Stats: nr=42 min=1 max=802 sum3=2368253926
Safeguard: keep additional 3 states
Emax=10.4364833884 nrkept=2154 nrkeptmult=5352 
Total energy=-4.06178292984  Egs=-0.8824689546
Kept: 2154 out of 7846, ratio=0.275
Memory used: 44 MB  Time elapsed: 10 s

 ***** [NRG] Iteration 9/67 (scale 0.075822318011740025) ***** 
[1] xi(8)=1.00131950393 zeta(9)=0
Stats: nr=44 min=1 max=928 sum3=2655504989
Emax=10.0064756021 nrkept=1769 nrkeptmult=4370 
Total energy=-4.17534232493  Egs=-1.49770408056
Kept: 1769 out of 8123, ratio=0.218
Memory used: 43 MB  Time elapsed: 13 s

 ***** [NRG] Iteration 10/67 (scale 0.053614475231384275) ***** 
[1] xi(9)=1.00062206904 zeta(10)=0
Stats: nr=42 min=1 max=700 sum3=1505160242
Emax=10.0585972502 nrkept=1997 nrkeptmult=4963 
Total energy=-4.22382833537  Egs=-0.904345519309
Kept: 1997 out of 6668, ratio=0.299
Memory used: 43 MB  Time elapsed: 14 s

 ***** [NRG] Iteration 11/67 (scale 0.037911159005870013) ***** 
[1] xi(10)=1.00030223414 zeta(11)=0
Stats: nr=43 min=1 max=862 sum3=2126777909
Emax=10.0001507196 nrkept=1707 nrkeptmult=4231 
Total energy=-4.27935678181  Egs=-1.46469925719
Kept: 1707 out of 7529, ratio=0.227
Memory used: 45 MB  Time elapsed: 17 s

 ***** [NRG] Iteration 12/67 (scale 0.026807237615692137) ***** 
[1] xi(11)=1.00014898132 zeta(12)=0
Stats: nr=42 min=1 max=669 sum3=1336461946
Emax=10.0403317137 nrkept=1837 nrkeptmult=4562 
Total energy=-4.30439110558  Egs=-0.933864358789
Kept: 1837 out of 6436, ratio=0.285
Memory used: 47 MB  Time elapsed: 18 s

 ***** [NRG] Iteration 13/67 (scale 0.018955579502935006) ***** 
[1] xi(12)=1.00007396421 zeta(13)=0
Stats: nr=43 min=1 max=796 sum3=1665675781
Emax=10.0001196131 nrkept=1612 nrkeptmult=3984 
Total energy=-4.33141057795  Egs=-1.4254099893
Kept: 1612 out of 6925, ratio=0.233
Memory used: 48 MB  Time elapsed: 20 s

 ***** [NRG] Iteration 14/67 (scale 0.013403618807846069) ***** 
[1] xi(13)=1.0000368514 zeta(14)=0
Stats: nr=42 min=1 max=635 sum3=1142031149
Emax=10.0000087208 nrkept=1734 nrkeptmult=4276 
Total energy=-4.34441560617  Egs=-0.970262464108
Kept: 1734 out of 6077, ratio=0.285
Memory used: 48 MB  Time elapsed: 22 s

 ***** [NRG] Iteration 15/67 (scale 0.0094777897514675032) ***** 
[1] xi(14)=1.00001839314 zeta(15)=0
Stats: nr=41 min=1 max=758 sum3=1423659861
Emax=10.0007119592 nrkept=1524 nrkeptmult=3763 
Total energy=-4.35748195255  Egs=-1.37862800535
Kept: 1524 out of 6525, ratio=0.234
Memory used: 47 MB  Time elapsed: 24 s

 ***** [NRG] Iteration 16/67 (scale 0.0067018094039230343) ***** 
[1] xi(15)=1.00000918844 zeta(16)=0
Stats: nr=41 min=1 max=602 sum3=972992345
Emax=10.0021046882 nrkept=1545 nrkeptmult=3773 
Total energy=-4.36427903603  Egs=-1.01421617216
Kept: 1545 out of 5741, ratio=0.269
Memory used: 50 MB  Time elapsed: 25 s

 ***** [NRG] Iteration 17/67 (scale 0.0047388948757337516) ***** 
[1] xi(16)=1.00000459219 zeta(17)=0
Stats: nr=38 min=1 max=686 sum3=1037532160
Emax=10.0005912584 nrkept=1386 nrkeptmult=3414 
Total energy=-4.37055170751  Egs=-1.3236570233
Kept: 1386 out of 5812, ratio=0.238
Memory used: 50 MB  Time elapsed: 26 s

 ***** [NRG] Iteration 18/67 (scale 0.0033509047019615172) ***** 
[1] xi(17)=1.00000229559 zeta(18)=0
Stats: nr=41 min=1 max=560 sum3=740050481
Emax=10.0001383359 nrkept=1353 nrkeptmult=3307 
Total energy=-4.37412597736  Egs=-1.06665816281
Kept: 1353 out of 5219, ratio=0.259
Memory used: 50 MB  Time elapsed: 28 s

 ***** [NRG] Iteration 19/67 (scale 0.0023694474378668758) ***** 
[1] xi(18)=1.00000114767 zeta(19)=0
Stats: nr=35 min=1 max=615 sum3=732254887
Emax=10.0002135184 nrkept=1261 nrkeptmult=3118 
Total energy=-4.37711208002  Egs=-1.26025275191
Kept: 1261 out of 5095, ratio=0.247
Memory used: 52 MB  Time elapsed: 29 s

 ***** [NRG] Iteration 20/67 (scale 0.0016754523509807586) ***** 
[1] xi(19)=1.0000005738 zeta(20)=0
Stats: nr=41 min=1 max=521 sum3=563744988
Emax=10.0003115657 nrkept=1150 nrkeptmult=2812 
Total energy=-4.3790029821  Egs=-1.12859198055
Kept: 1150 out of 4746, ratio=0.242
Memory used: 51 MB  Time elapsed: 29 s

 ***** [NRG] Iteration 21/67 (scale 0.0011847237189334379) ***** 
[1] xi(20)=1.00000028689 zeta(21)=0
Stats: nr=35 min=1 max=523 sum3=457109558
Emax=10.003079306 nrkept=1118 nrkeptmult=2805 
Total energy=-4.38041119293  Egs=-1.18864069678
Kept: 1118 out of 4328, ratio=0.258
Memory used: 51 MB  Time elapsed: 30 s

 ***** [NRG] Iteration 22/67 (scale 0.00083772617549037929) ***** 
[1] xi(21)=1.00000014344 zeta(22)=0
Stats: nr=40 min=1 max=472 sum3=401889659
Emax=10.0055533145 nrkept=1040 nrkeptmult=2569 
Total energy=-4.38141735309  Egs=-1.20106090405
Kept: 1040 out of 4217, ratio=0.247
Memory used: 53 MB  Time elapsed: 31 s

 ***** [NRG] Iteration 23/67 (scale 0.00059236185946671895) ***** 
[1] xi(22)=1.00000007172 zeta(23)=0
Stats: nr=35 min=1 max=470 sum3=336207608
Emax=10.0041354602 nrkept=999 nrkeptmult=2513 
Total energy=-4.38207508799  Egs=-1.11035997927
Kept: 999 out of 3920, ratio=0.255
Memory used: 53 MB  Time elapsed: 31 s

 ***** [NRG] Iteration 24/67 (scale 0.00041886308774518965) ***** 
[1] xi(23)=1.00000003586 zeta(24)=0
Stats: nr=40 min=1 max=426 sum3=296691461
Emax=10.0014684792 nrkept=926 nrkeptmult=2302 
Total energy=-4.38261276429  Egs=-1.28365643212
Kept: 926 out of 3773, ratio=0.245
Memory used: 53 MB  Time elapsed: 32 s

 ***** [NRG] Iteration 25/67 (scale 0.00029618092973335947) ***** 
[1] xi(24)=1.00000001793 zeta(25)=0
Stats: nr=34 min=1 max=423 sum3=241909699
Emax=10.0018105248 nrkept=908 nrkeptmult=2278 
Total energy=-4.38292403027  Egs=-1.05093187519
Kept: 908 out of 3493, ratio=0.26
Memory used: 54 MB  Time elapsed: 32 s

 ***** [NRG] Iteration 26/67 (scale 0.00020943154387259482) ***** 
[1] xi(25)=1.00000000897 zeta(26)=0
Stats: nr=37 min=1 max=386 sum3=221655208
Emax=10.0022529914 nrkept=816 nrkeptmult=2032 
Total energy=-4.38320511815  Egs=-1.3421468121
Kept: 816 out of 3430, ratio=0.238
Memory used: 53 MB  Time elapsed: 33 s

 ***** [NRG] Iteration 27/67 (scale 0.00014809046486667974) ***** 
[1] xi(26)=1.00000000448 zeta(27)=0
Stats: nr=34 min=1 max=372 sum3=165562380
Emax=10.0013181527 nrkept=804 nrkeptmult=1994 
Total energy=-4.38335818382  Egs=-1.03359574996
Kept: 804 out of 3078, ratio=0.261
Memory used: 53 MB  Time elapsed: 33 s

 ***** [NRG] Iteration 28/67 (scale 0.00010471577193629741) ***** 
[1] xi(27)=1.00000000224 zeta(28)=0
Stats: nr=37 min=1 max=347 sum3=161231454
Emax=10.0013994385 nrkept=730 nrkeptmult=1796 
Total energy=-4.38349906335  Egs=-1.34535153674
Kept: 730 out of 3030, ratio=0.241
Memory used: 53 MB  Time elapsed: 34 s

 ***** [NRG] Iteration 29/67 (scale 7.4045232433339868e-05) ***** 
[1] xi(28)=1.00000000112 zeta(29)=0
Stats: nr=33 min=1 max=339 sum3=122824234
Emax=10.0025133382 nrkept=716 nrkeptmult=1749 
Total energy=-4.38357479064  Egs=-1.0227166473
Kept: 716 out of 2752, ratio=0.26
Memory used: 54 MB  Time elapsed: 34 s

 ***** [NRG] Iteration 30/67 (scale 5.2357885968148706e-05) ***** 
[1] xi(29)=1.00000000056 zeta(30)=0
Stats: nr=37 min=1 max=317 sum3=118351352
Emax=10.0068222503 nrkept=646 nrkeptmult=1562 
Total energy=-4.38364519646  Egs=-1.34470335197
Kept: 646 out of 2696, ratio=0.24
Memory used: 53 MB  Time elapsed: 34 s

 ***** [NRG] Iteration 31/67 (scale 3.7022616216669934e-05) ***** 
[1] xi(30)=1.00000000028 zeta(31)=0
Stats: nr=32 min=2 max=306 sum3=87337318
Emax=10.0069671705 nrkept=637 nrkeptmult=1537 
Total energy=-4.38368281745  Egs=-1.01616216272
Kept: 637 out of 2428, ratio=0.262
Memory used: 54 MB  Time elapsed: 34 s

 ***** [NRG] Iteration 32/67 (scale 2.6178942984074353e-05) ***** 
[1] xi(31)=1.00000000014 zeta(32)=0
Stats: nr=36 min=1 max=281 sum3=81832842
Emax=10.0000515773 nrkept=577 nrkeptmult=1373 
Total energy=-4.38371798015  Egs=-1.34316742175
Kept: 577 out of 2394, ratio=0.241
Memory used: 54 MB  Time elapsed: 35 s

 ***** [NRG] Iteration 33/67 (scale 1.8511308108334967e-05) ***** 
[1] xi(32)=1.00000000007 zeta(33)=0
Stats: nr=32 min=1 max=276 sum3=63204035
Emax=10.0010412102 nrkept=573 nrkeptmult=1359 
Total energy=-4.38373672114  Egs=-1.01240797976
Kept: 573 out of 2165, ratio=0.265
Memory used: 54 MB  Time elapsed: 35 s

 ***** [NRG] Iteration 34/67 (scale 1.3089471492037176e-05) ***** 
[1] xi(33)=1.00000000004 zeta(34)=0
Stats: nr=33 min=1 max=256 sum3=62009413
Emax=10.0017129154 nrkept=530 nrkeptmult=1240 
Total energy=-4.38375428578  Egs=-1.34189013504
Kept: 530 out of 2149, ratio=0.247
Memory used: 55 MB  Time elapsed: 35 s

 ***** [NRG] Iteration 35/67 (scale 9.2556540541674836e-06) ***** 
[1] xi(34)=1.00000000002 zeta(35)=0
Stats: nr=32 min=1 max=259 sum3=51115211
Emax=10.0033056628 nrkept=530 nrkeptmult=1239 
Total energy=-4.38376363731  Egs=-1.01035843378
Kept: 530 out of 1985, ratio=0.267
Memory used: 55 MB  Time elapsed: 35 s

 ***** [NRG] Iteration 36/67 (scale 6.5447357460185882e-06) ***** 
[1] xi(35)=1.00000000001 zeta(36)=0
Stats: nr=33 min=1 max=245 sum3=52114757
Emax=10.0010765053 nrkept=497 nrkeptmult=1162 
Total energy=-4.38377241428  Egs=-1.34107472422
Kept: 497 out of 1985, ratio=0.25
Memory used: 55 MB  Time elapsed: 35 s

 ***** [NRG] Iteration 37/67 (scale 4.6278270270837418e-06) ***** 
[1] xi(36)=1 zeta(37)=0
Stats: nr=32 min=1 max=242 sum3=41727115
Emax=10.0011966591 nrkept=504 nrkeptmult=1168 
Total energy=-4.38377708506  Egs=-1.0092793959
Kept: 504 out of 1861, ratio=0.271
Memory used: 55 MB  Time elapsed: 35 s

 ***** [NRG] Iteration 38/67 (scale 3.2723678730092941e-06) ***** 
[1] xi(37)=1 zeta(38)=0
Stats: nr=32 min=1 max=239 sum3=45838484
Emax=10.0092687384 nrkept=470 nrkeptmult=1085 
Total energy=-4.38378147204  Egs=-1.34061343516
Kept: 470 out of 1886, ratio=0.249
Memory used: 57 MB  Time elapsed: 35 s

 ***** [NRG] Iteration 39/67 (scale 2.3139135135418709e-06) ***** 
[1] xi(38)=1 zeta(39)=0
Stats: nr=32 min=1 max=231 sum3=36090167
Emax=10.0081362176 nrkept=490 nrkeptmult=1135 
Total energy=-4.38378380614  Egs=-1.00872439152
Kept: 490 out of 1757, ratio=0.279
Memory used: 57 MB  Time elapsed: 36 s

 ***** [NRG] Iteration 40/67 (scale 1.6361839365046471e-06) ***** 
[1] xi(39)=1 zeta(40)=0
Stats: nr=32 min=1 max=231 sum3=41403062
Emax=10.0083919519 nrkept=465 nrkeptmult=1069 
Total energy=-4.38378599923  Egs=-1.34036788835
Kept: 465 out of 1832, ratio=0.254
Memory used: 57 MB  Time elapsed: 36 s

 ***** [NRG] Iteration 41/67 (scale 1.1569567567709354e-06) ***** 
[1] xi(40)=1 zeta(41)=0
Stats: nr=32 min=1 max=228 sum3=35048397
Emax=10.0282015551 nrkept=485 nrkeptmult=1119 
Total energy=-4.38378716595  Egs=-1.00844272859
Kept: 485 out of 1737, ratio=0.279
Memory used: 58 MB  Time elapsed: 36 s

 ***** [NRG] Iteration 42/67 (scale 8.1809196825232353e-07) ***** 
[1] xi(41)=1 zeta(42)=0
Stats: nr=32 min=1 max=228 sum3=40341882
Emax=10.0572754832 nrkept=465 nrkeptmult=1069 
Total energy=-4.38378826239  Egs=-1.34024117279
Kept: 465 out of 1812, ratio=0.257
Memory used: 60 MB  Time elapsed: 36 s

 ***** [NRG] Iteration 43/67 (scale 5.7847837838546772e-07) ***** 
[1] xi(42)=1 zeta(43)=0
Stats: nr=32 min=1 max=228 sum3=34952679
Emax=10.0512037803 nrkept=485 nrkeptmult=1118 
Total energy=-4.38378884567  Egs=-1.00830081633
Kept: 485 out of 1737, ratio=0.279
Memory used: 62 MB  Time elapsed: 36 s

 ***** [NRG] Iteration 44/67 (scale 4.0904598412616176e-07) ***** 
[1] xi(43)=1 zeta(44)=0
Stats: nr=32 min=1 max=228 sum3=40307766
Emax=10.0702450593 nrkept=465 nrkeptmult=1069 
Total energy=-4.38378939386  Egs=-1.34017680108
Kept: 465 out of 1812, ratio=0.257
Memory used: 62 MB  Time elapsed: 36 s

 ***** [NRG] Iteration 45/67 (scale 2.8923918919273386e-07) ***** 
[1] xi(44)=1 zeta(45)=0
Stats: nr=32 min=1 max=228 sum3=34952679
Emax=10.0611393463 nrkept=485 nrkeptmult=1118 
Total energy=-4.38378968548  Egs=-1.00822958491
Kept: 485 out of 1737, ratio=0.279
Memory used: 62 MB  Time elapsed: 36 s

 ***** [NRG] Iteration 46/67 (scale 2.0452299206308088e-07) ***** 
[1] xi(45)=1 zeta(46)=0
Stats: nr=32 min=1 max=228 sum3=40307766
Emax=10.0767486598 nrkept=465 nrkeptmult=1069 
Total energy=-4.38378995957  Egs=-1.34014435783
Kept: 465 out of 1812, ratio=0.257
Memory used: 62 MB  Time elapsed: 36 s

 ***** [NRG] Iteration 47/67 (scale 1.4461959459636693e-07) ***** 
[1] xi(46)=1 zeta(47)=0
Stats: nr=32 min=1 max=228 sum3=34952679
Emax=10.0661385282 nrkept=485 nrkeptmult=1118 
Total energy=-4.38379010538  Egs=-1.00819389967
Kept: 485 out of 1737, ratio=0.279
Memory used: 62 MB  Time elapsed: 37 s

 ***** [NRG] Iteration 48/67 (scale 1.0226149603154044e-07) ***** 
[1] xi(47)=1 zeta(48)=0
Stats: nr=32 min=1 max=228 sum3=40307766
Emax=10.0800048652 nrkept=465 nrkeptmult=1069 
Total energy=-4.38379024242  Egs=-1.34012807141
Kept: 465 out of 1812, ratio=0.257
Memory used: 62 MB  Time elapsed: 37 s

 ***** [NRG] Iteration 49/67 (scale 7.2309797298183465e-08) ***** 
[1] xi(48)=1 zeta(49)=0
Stats: nr=32 min=1 max=228 sum3=34952679
Emax=10.0686456558 nrkept=485 nrkeptmult=1118 
Total energy=-4.38379031532  Egs=-1.00817603955
Kept: 485 out of 1737, ratio=0.279
Memory used: 64 MB  Time elapsed: 37 s

 ***** [NRG] Iteration 50/67 (scale 5.113074801577022e-08) ***** 
[1] xi(49)=1 zeta(50)=0
Stats: nr=32 min=1 max=228 sum3=40307766
Emax=10.0816340439 nrkept=465 nrkeptmult=1069 
Total energy=-4.38379038384  Egs=-1.34011991198
Kept: 465 out of 1812, ratio=0.257
Memory used: 65 MB  Time elapsed: 37 s

 ***** [NRG] Iteration 51/67 (scale 3.6154898649091733e-08) ***** 
[1] xi(50)=1 zeta(51)=0
Stats: nr=32 min=1 max=228 sum3=34952679
Emax=10.0699011029 nrkept=485 nrkeptmult=1118 
Total energy=-4.38379042029  Egs=-1.00816710508
Kept: 485 out of 1737, ratio=0.279
Memory used: 65 MB  Time elapsed: 37 s

 ***** [NRG] Iteration 52/67 (scale 2.556537400788511e-08) ***** 
[1] xi(51)=1 zeta(52)=0
Stats: nr=32 min=1 max=228 sum3=40307766
Emax=10.0824488987 nrkept=465 nrkeptmult=1069 
Total energy=-4.38379045456  Egs=-1.34011582824
Kept: 465 out of 1812, ratio=0.257
Memory used: 65 MB  Time elapsed: 37 s

 ***** [NRG] Iteration 53/67 (scale 1.8077449324545866e-08) ***** 
[1] xi(52)=1 zeta(53)=0
Stats: nr=32 min=1 max=228 sum3=34952679
Emax=10.0705292973 nrkept=485 nrkeptmult=1118 
Total energy=-4.38379047278  Egs=-1.0081626367
Kept: 485 out of 1737, ratio=0.279
Memory used: 65 MB  Time elapsed: 37 s

 ***** [NRG] Iteration 54/67 (scale 1.2782687003942555e-08) ***** 
[1] xi(53)=1 zeta(54)=0
Stats: nr=32 min=1 max=228 sum3=40307766
Emax=10.082856392 nrkept=465 nrkeptmult=1069 
Total energy=-4.38379048991  Egs=-1.3401137854
Kept: 465 out of 1812, ratio=0.257
Memory used: 65 MB  Time elapsed: 37 s

 ***** [NRG] Iteration 55/67 (scale 9.0387246622729332e-09) ***** 
[1] xi(54)=1 zeta(55)=0
Stats: nr=32 min=1 max=228 sum3=34952679
Emax=10.0708435123 nrkept=485 nrkeptmult=1118 
Total energy=-4.38379049902  Egs=-1.00816040219
Kept: 485 out of 1737, ratio=0.279
Memory used: 67 MB  Time elapsed: 38 s

 ***** [NRG] Iteration 56/67 (scale 6.3913435019712775e-09) ***** 
[1] xi(55)=1 zeta(56)=0
Stats: nr=32 min=1 max=228 sum3=40307766
Safeguard: keep additional 1 states
Emax=10.0830650043 nrkept=466 nrkeptmult=1071 
Total energy=-4.38379050759  Egs=-1.34011276378
Kept: 466 out of 1812, ratio=0.257
Memory used: 67 MB  Time elapsed: 38 s

 ***** [NRG] Iteration 57/67 (scale 4.5193623311364666e-09) ***** 
[1] xi(56)=1 zeta(57)=0
Stats: nr=32 min=1 max=228 sum3=35002531
Emax=10.0710006494 nrkept=485 nrkeptmult=1118 
Total energy=-4.38379051214  Egs=-1.00815928482
Kept: 485 out of 1741, ratio=0.279
Memory used: 67 MB  Time elapsed: 38 s

 ***** [NRG] Iteration 58/67 (scale 3.1956717509856388e-09) ***** 
[1] xi(57)=1 zeta(58)=0
Stats: nr=32 min=1 max=228 sum3=40307766
Emax=10.083126331 nrkept=465 nrkeptmult=1067 
Total energy=-4.38379051643  Egs=-1.34011225296
Kept: 465 out of 1812, ratio=0.257
Memory used: 67 MB  Time elapsed: 38 s

 ***** [NRG] Iteration 59/67 (scale 2.2596811655682333e-09) ***** 
[1] xi(58)=1 zeta(59)=0
Stats: nr=32 min=1 max=228 sum3=34991517
Emax=10.0710792255 nrkept=485 nrkeptmult=1118 
Total energy=-4.38379051871  Egs=-1.00815872608
Kept: 485 out of 1737, ratio=0.279
Memory used: 67 MB  Time elapsed: 38 s

 ***** [NRG] Iteration 60/67 (scale 1.5978358754928194e-09) ***** 
[1] xi(59)=1 zeta(60)=0
Stats: nr=32 min=1 max=228 sum3=40307766
Emax=10.0831572216 nrkept=465 nrkeptmult=1067 
Total energy=-4.38379052085  Egs=-1.34011199758
Kept: 465 out of 1812, ratio=0.257
Memory used: 67 MB  Time elapsed: 38 s

 ***** [NRG] Iteration 61/67 (scale 1.1298405827841166e-09) ***** 
[1] xi(60)=1 zeta(61)=0
Stats: nr=32 min=1 max=228 sum3=34991517
Emax=10.0711185155 nrkept=485 nrkeptmult=1118 
Total energy=-4.38379052199  Egs=-1.00815844666
Kept: 485 out of 1737, ratio=0.279
Memory used: 68 MB  Time elapsed: 38 s

 ***** [NRG] Iteration 62/67 (scale 7.9891793774640969e-10) ***** 
[1] xi(61)=1 zeta(62)=0
Stats: nr=32 min=1 max=228 sum3=40307766
Emax=10.0831726686 nrkept=465 nrkeptmult=1067 
Total energy=-4.38379052306  Egs=-1.34011186994
Kept: 465 out of 1812, ratio=0.257
Memory used: 68 MB  Time elapsed: 38 s

 ***** [NRG] Iteration 63/67 (scale 5.6492029139205832e-10) ***** 
[1] xi(62)=1 zeta(63)=0
Stats: nr=32 min=1 max=228 sum3=34991517
Emax=10.0711381612 nrkept=485 nrkeptmult=1118 
Total energy=-4.38379052363  Egs=-1.0081583069
Kept: 485 out of 1737, ratio=0.279
Memory used: 68 MB  Time elapsed: 39 s

 ***** [NRG] Iteration 64/67 (scale 3.9945896887320485e-10) ***** 
[1] xi(63)=1 zeta(64)=0
Stats: nr=32 min=1 max=228 sum3=40307766
Emax=10.0831803893 nrkept=465 nrkeptmult=1067 
Total energy=-4.38379052416  Egs=-1.34011180617
Kept: 465 out of 1812, ratio=0.257
Memory used: 69 MB  Time elapsed: 39 s

 ***** [NRG] Iteration 65/67 (scale 2.8246014569602916e-10) ***** 
[1] xi(64)=1 zeta(65)=0
Stats: nr=32 min=1 max=228 sum3=34991517
Emax=10.0711479844 nrkept=485 nrkeptmult=1118 
Total energy=-4.38379052445  Egs=-1.00815823698
Kept: 485 out of 1737, ratio=0.279
Memory used: 69 MB  Time elapsed: 39 s

 ***** [NRG] Iteration 66/67 (scale 1.9972948443660242e-10) ***** 
[1] xi(65)=1 zeta(66)=0
Stats: nr=32 min=1 max=228 sum3=40307766
Emax=10.0831842489 nrkept=465 nrkeptmult=1067 
Total energy=-4.38379052471  Egs=-1.34011177434
Kept: 465 out of 1812, ratio=0.257
Memory used: 70 MB  Time elapsed: 39 s

 ***** [NRG] Iteration 67/67 (scale 1.4123007284801458e-10) ***** 
[1] xi(66)=1 zeta(67)=0
Stats: nr=32 min=1 max=228 sum3=34991517
Emax=10.0711528962 nrkept=485 nrkeptmult=1118 
Total energy=-4.38379052486  Egs=-1.00815820197
Kept: 485 out of 1737, ratio=0.279
Memory used: 70 MB  Time elapsed: 39 s

** Iteration completed.


Total energy:              -4.38379052485586
TKW=6.98451008729e-05
Grand canonical Z=              11.38160294778498
Zft (last shell)=               11.36191175530504
Master done. Terminating slave processes.
Master exiting.

Memory usage report (process 0)
===================
  after diag: 123480 kB
after recalc: 71936 kB
 after split: 129344 kB
  after trim: 71936 kB
 after trunc: 123604 kB
      diag_h: 125992 kB

Peak usage: 129344 kB

Timing report (process 0)
=============
         All: 39 s
        diag: 38 s
       Other: 1 s
