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=1.18759861984e-10
Nmax=67
Tmin=1e-10
Ninit=0
Lambda=2
strategy=kept
lastall=0
lastalloverride=0
z=0.5
discretization=Z
band=flat
betabar=1
T=1.18759861984e-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=	0.5
>>  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=0.5
# keep=5000 keepenergy=10 Nmax=67 channels=1 dots=1 betabar=1

Number of invariant subspaces: 6
(-2 1) 1 states
0.0262338878653 
(-1 2) 2 states
0.0123359436335 0.0394386849167 
(0 1) 3 states
0 0.0289705655708 0.0545831282892 
(0 3) 1 states
0.0255407406848 
(1 2) 2 states
0.0147585107453 0.0425612952493 
(2 1) 1 states
0.0317790653098 
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 1.0201394465967895) ***** 
[1] xi(0)=0.583569837945 zeta(1)=0
Stats: nr=10 min=1 max=8 sum3=1055
Emax=2.34434468923 nrkept=35 nrkeptmult=64 
Total energy=-1.18728136464  Egs=-1.13164319698
Kept: 35 out of 35, ratio=1
Memory used: 10 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 2/67 (scale 0.72134752044448169) ***** 
[1] xi(1)=0.776754544846 zeta(2)=0
Stats: nr=15 min=1 max=20 sum3=30066
Emax=4.60946051507 nrkept=126 nrkeptmult=256 
Total energy=-1.65595702453  Egs=-0.649722424513
Kept: 126 out of 126, ratio=1
Memory used: 11 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 3/67 (scale 0.51006972329839473) ***** 
[1] xi(2)=0.992903283056 zeta(3)=0
Stats: nr=21 min=1 max=75 sum3=1007202
Emax=9.71436368608 nrkept=462 nrkeptmult=1024 
Total energy=-2.4690060485  Egs=-1.59399585356
Kept: 462 out of 462, ratio=1
Memory used: 12 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 4/67 (scale 0.36067376022224085) ***** 
[1] xi(3)=1.04266411315 zeta(4)=0
Stats: nr=28 min=1 max=210 sum3=37226316
Emax=10.2102919541 nrkept=1259 nrkeptmult=3041 
Total energy=-2.7902782769  Egs=-0.890755757242
Kept: 1259 out of 1716, ratio=0.734
Memory used: 21 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 5/67 (scale 0.25503486164919736) ***** 
[1] xi(4)=1.01328740971 zeta(5)=0
Stats: nr=36 min=1 max=561 sum3=559501320
Safeguard: keep additional 15 states
Emax=10.2052266922 nrkept=1895 nrkeptmult=4708 
Total energy=-3.18524567019  Egs=-1.54868001471
Kept: 1895 out of 4728, ratio=0.401
Memory used: 29 MB  Time elapsed: 1 s

 ***** [NRG] Iteration 6/67 (scale 0.18033688011112042) ***** 
[1] xi(5)=0.999788616061 zeta(6)=0
Stats: nr=42 min=1 max=722 sum3=1750096428
Emax=10.2372187835 nrkept=2121 nrkeptmult=5281 
Total energy=-3.34064402188  Egs=-0.861711434665
Kept: 2121 out of 7134, ratio=0.297
Memory used: 32 MB  Time elapsed: 3 s

 ***** [NRG] Iteration 7/67 (scale 0.12751743082459868) ***** 
[1] xi(6)=0.998344002082 zeta(7)=0
Stats: nr=44 min=1 max=908 sum3=2507340554
Emax=10.0014468879 nrkept=1891 nrkeptmult=4679 
Total energy=-3.53389666813  Egs=-1.51549984187
Kept: 1891 out of 8000, ratio=0.236
Memory used: 37 MB  Time elapsed: 6 s

 ***** [NRG] Iteration 8/67 (scale 0.090168440055560212) ***** 
[1] xi(7)=0.998902918682 zeta(8)=0
Stats: nr=42 min=1 max=744 sum3=1833034784
Emax=10.0180432783 nrkept=2089 nrkeptmult=5203 
Total energy=-3.61356121755  Egs=-0.883508125131
Kept: 2089 out of 7130, ratio=0.293
Memory used: 42 MB  Time elapsed: 8 s

 ***** [NRG] Iteration 9/67 (scale 0.063758715412299341) ***** 
[1] xi(8)=0.999398551363 zeta(9)=0
Stats: nr=44 min=1 max=892 sum3=2383821143
Safeguard: keep additional 3 states
Emax=10.0005890667 nrkept=1754 nrkeptmult=4336 
Total energy=-3.7084846967  Egs=-1.48879221519
Kept: 1754 out of 7877, ratio=0.223
Memory used: 44 MB  Time elapsed: 10 s

 ***** [NRG] Iteration 10/67 (scale 0.045084220027780106) ***** 
[1] xi(9)=0.99968731683 zeta(10)=0
Stats: nr=42 min=1 max=691 sum3=1463266516
Emax=10.0996489321 nrkept=1997 nrkeptmult=4961 
Total energy=-3.74952167158  Egs=-0.910229229774
Kept: 1997 out of 6610, ratio=0.302
Memory used: 47 MB  Time elapsed: 12 s

 ***** [NRG] Iteration 11/67 (scale 0.031879357706149671) ***** 
[1] xi(10)=0.9998407918 zeta(11)=0
Stats: nr=43 min=1 max=862 sum3=2124997378
Emax=10.0023561201 nrkept=1701 nrkeptmult=4212 
Total energy=-3.79591368127  Egs=-1.45523664934
Kept: 1701 out of 7528, ratio=0.226
Memory used: 48 MB  Time elapsed: 14 s

 ***** [NRG] Iteration 12/67 (scale 0.022542110013890053) ***** 
[1] xi(11)=0.99991969299 zeta(12)=0
Stats: nr=42 min=1 max=666 sum3=1322481706
Emax=10.0788441957 nrkept=1837 nrkeptmult=4565 
Total energy=-3.81715039466  Egs=-0.942090752832
Kept: 1837 out of 6412, ratio=0.286
Memory used: 48 MB  Time elapsed: 16 s

 ***** [NRG] Iteration 13/67 (scale 0.015939678853074835) ***** 
[1] xi(12)=0.999959672404 zeta(13)=0
Stats: nr=43 min=1 max=795 sum3=1661026885
Emax=10.0003529574 nrkept=1565 nrkeptmult=3859 
Total energy=-3.83969513732  Egs=-1.41437872532
Kept: 1565 out of 6925, ratio=0.226
Memory used: 48 MB  Time elapsed: 18 s

 ***** [NRG] Iteration 14/67 (scale 0.011271055006945026) ***** 
[1] xi(13)=0.999979792879 zeta(14)=0
Stats: nr=42 min=1 max=615 sum3=1043606058
Emax=10.0000985127 nrkept=1659 nrkeptmult=4077 
Total energy=-3.8507458767  Egs=-0.980452972297
Kept: 1659 out of 5898, ratio=0.281
Memory used: 48 MB  Time elapsed: 20 s

 ***** [NRG] Iteration 15/67 (scale 0.0079698394265374176) ***** 
[1] xi(14)=0.999989885634 zeta(15)=0
Stats: nr=40 min=1 max=728 sum3=1258134903
Emax=10.0009034396 nrkept=1504 nrkeptmult=3713 
Total energy=-3.86162990827  Egs=-1.36565255386
Kept: 1504 out of 6243, ratio=0.241
Memory used: 50 MB  Time elapsed: 21 s

 ***** [NRG] Iteration 16/67 (scale 0.0056355275034725132) ***** 
[1] xi(15)=0.999994940118 zeta(16)=0
Stats: nr=41 min=1 max=597 sum3=934062089
Emax=10.0000559127 nrkept=1476 nrkeptmult=3631 
Total energy=-3.86741465787  Egs=-1.02647881721
Kept: 1476 out of 5663, ratio=0.261
Memory used: 50 MB  Time elapsed: 22 s

 ***** [NRG] Iteration 17/67 (scale 0.0039849197132687088) ***** 
[1] xi(16)=0.999997469385 zeta(17)=0
Stats: nr=37 min=1 max=657 sum3=915183651
Emax=10.0068899217 nrkept=1374 nrkeptmult=3389 
Total energy=-3.87262930662  Egs=-1.30859568502
Kept: 1374 out of 5559, ratio=0.247
Memory used: 51 MB  Time elapsed: 24 s

 ***** [NRG] Iteration 18/67 (scale 0.0028177637517362566) ***** 
[1] xi(17)=0.999998734524 zeta(18)=0
Stats: nr=41 min=1 max=558 sum3=725344898
Emax=10.0012436146 nrkept=1312 nrkeptmult=3205 
Total energy=-3.87567587312  Egs=-1.0812001178
Kept: 1312 out of 5174, ratio=0.254
Memory used: 53 MB  Time elapsed: 25 s

 ***** [NRG] Iteration 19/67 (scale 0.0019924598566343544) ***** 
[1] xi(18)=0.99999936722 zeta(19)=0
Stats: nr=35 min=1 max=593 sum3=662800650
Emax=10.0125319812 nrkept=1216 nrkeptmult=3021 
Total energy=-3.87815269708  Egs=-1.24309855134
Kept: 1216 out of 4938, ratio=0.246
Memory used: 55 MB  Time elapsed: 26 s

 ***** [NRG] Iteration 20/67 (scale 0.0014088818758681283) ***** 
[1] xi(19)=0.999999683599 zeta(20)=0
Stats: nr=41 min=1 max=507 sum3=508647346
Emax=10.0027292383 nrkept=1112 nrkeptmult=2730 
Total energy=-3.8797668293  Egs=-1.14568314586
Kept: 1112 out of 4582, ratio=0.243
Memory used: 56 MB  Time elapsed: 27 s

 ***** [NRG] Iteration 21/67 (scale 0.0009962299283171772) ***** 
[1] xi(20)=0.999999841797 zeta(21)=0
Stats: nr=35 min=1 max=505 sum3=414000029
Emax=10.0010033198 nrkept=1084 nrkeptmult=2722 
Total energy=-3.88093200709  Egs=-1.16958721764
Kept: 1084 out of 4187, ratio=0.259
Memory used: 58 MB  Time elapsed: 27 s

 ***** [NRG] Iteration 22/67 (scale 0.00070444093793406415) ***** 
[1] xi(21)=0.999999920898 zeta(22)=0
Stats: nr=40 min=1 max=460 sum3=368868597
Emax=10.0015043914 nrkept=1010 nrkeptmult=2503 
Total energy=-3.88179201719  Egs=-1.220840614
Kept: 1010 out of 4089, ratio=0.247
Memory used: 57 MB  Time elapsed: 28 s

 ***** [NRG] Iteration 23/67 (scale 0.0004981149641585886) ***** 
[1] xi(22)=0.999999960449 zeta(23)=0
Stats: nr=35 min=1 max=455 sum3=307049909
Emax=10.0031638332 nrkept=974 nrkeptmult=2446 
Total energy=-3.88233507649  Egs=-1.09022883058
Kept: 974 out of 3809, ratio=0.256
Memory used: 58 MB  Time elapsed: 28 s

 ***** [NRG] Iteration 24/67 (scale 0.00035222046896703208) ***** 
[1] xi(23)=0.999999980224 zeta(24)=0
Stats: nr=40 min=1 max=414 sum3=271208290
Emax=10.0003621624 nrkept=901 nrkeptmult=2242 
Total energy=-3.88279487452  Egs=-1.30542676987
Kept: 901 out of 3676, ratio=0.245
Memory used: 58 MB  Time elapsed: 29 s

 ***** [NRG] Iteration 25/67 (scale 0.0002490574820792943) ***** 
[1] xi(24)=0.999999990112 zeta(25)=0
Stats: nr=34 min=1 max=413 sum3=225149787
Emax=10.0001245453 nrkept=879 nrkeptmult=2197 
Total energy=-3.88305534696  Egs=-1.04583262981
Kept: 879 out of 3399, ratio=0.259
Memory used: 58 MB  Time elapsed: 29 s

 ***** [NRG] Iteration 26/67 (scale 0.00017611023448351604) ***** 
[1] xi(25)=0.999999995056 zeta(26)=0
Stats: nr=37 min=1 max=377 sum3=204193968
Emax=10.004384528 nrkept=798 nrkeptmult=1991 
Total energy=-3.88329196453  Egs=-1.34357651467
Kept: 798 out of 3318, ratio=0.241
Memory used: 57 MB  Time elapsed: 30 s

 ***** [NRG] Iteration 27/67 (scale 0.00012452874103964715) ***** 
[1] xi(26)=0.999999997528 zeta(27)=0
Stats: nr=34 min=1 max=364 sum3=154430453
Emax=10.0073255227 nrkept=782 nrkeptmult=1936 
Total energy=-3.88342027346  Egs=-1.03035591896
Kept: 782 out of 3011, ratio=0.26
Memory used: 57 MB  Time elapsed: 30 s

 ***** [NRG] Iteration 28/67 (scale 8.8055117241758019e-05) ***** 
[1] xi(27)=0.999999998764 zeta(28)=0
Stats: nr=37 min=1 max=337 sum3=147234679
Emax=10.0003092886 nrkept=711 nrkeptmult=1741 
Total energy=-3.88353874382  Egs=-1.34541136152
Kept: 711 out of 2947, ratio=0.241
Memory used: 57 MB  Time elapsed: 30 s

 ***** [NRG] Iteration 29/67 (scale 6.2264370519823575e-05) ***** 
[1] xi(28)=0.999999999382 zeta(29)=0
Stats: nr=33 min=1 max=331 sum3=113852324
Emax=10.0033142183 nrkept=693 nrkeptmult=1685 
Total energy=-3.88360229884  Egs=-1.02072869717
Kept: 693 out of 2678, ratio=0.259
Memory used: 59 MB  Time elapsed: 31 s

 ***** [NRG] Iteration 30/67 (scale 4.402755862087901e-05) ***** 
[1] xi(29)=0.999999999691 zeta(30)=0
Stats: nr=37 min=1 max=305 sum3=106529133
Emax=10.0030499975 nrkept=630 nrkeptmult=1517 
Total energy=-3.88366148725  Egs=-1.34434893333
Kept: 630 out of 2607, ratio=0.242
Memory used: 58 MB  Time elapsed: 31 s

 ***** [NRG] Iteration 31/67 (scale 3.1132185259911788e-05) ***** 
[1] xi(30)=0.999999999846 zeta(31)=0
Stats: nr=32 min=2 max=298 sum3=81199070
Emax=10.0019731556 nrkept=618 nrkeptmult=1486 
Total energy=-3.88369308637  Egs=-1.01499843031
Kept: 618 out of 2366, ratio=0.261
Memory used: 58 MB  Time elapsed: 31 s

 ***** [NRG] Iteration 32/67 (scale 2.2013779310439505e-05) ***** 
[1] xi(31)=0.999999999923 zeta(32)=0
Stats: nr=35 min=1 max=275 sum3=75971069
Emax=10.0030763285 nrkept=564 nrkeptmult=1338 
Total energy=-3.88372264693  Egs=-1.34282115195
Kept: 564 out of 2321, ratio=0.243
Memory used: 58 MB  Time elapsed: 31 s

 ***** [NRG] Iteration 33/67 (scale 1.5566092629955894e-05) ***** 
[1] xi(32)=0.999999999961 zeta(33)=0
Stats: nr=32 min=1 max=271 sum3=59840830
Emax=10.0006479819 nrkept=558 nrkeptmult=1315 
Total energy=-3.88373839605  Egs=-1.01175776689
Kept: 558 out of 2116, ratio=0.264
Memory used: 58 MB  Time elapsed: 31 s

 ***** [NRG] Iteration 34/67 (scale 1.1006889655219752e-05) ***** 
[1] xi(33)=0.999999999981 zeta(34)=0
Stats: nr=33 min=1 max=250 sum3=58079061
Emax=10.0006411648 nrkept=520 nrkeptmult=1213 
Total energy=-3.88375316355  Egs=-1.34166007936
Kept: 520 out of 2091, ratio=0.249
Memory used: 59 MB  Time elapsed: 32 s

 ***** [NRG] Iteration 35/67 (scale 7.7830463149779469e-06) ***** 
[1] xi(34)=0.99999999999 zeta(35)=0
Stats: nr=32 min=1 max=254 sum3=48458709
Emax=10.0112133261 nrkept=521 nrkeptmult=1213 
Total energy=-3.88376102448  Egs=-1.01000674891
Kept: 521 out of 1947, ratio=0.268
Memory used: 61 MB  Time elapsed: 32 s

 ***** [NRG] Iteration 36/67 (scale 5.5034448276098762e-06) ***** 
[1] xi(35)=0.999999999995 zeta(36)=0
Stats: nr=32 min=1 max=242 sum3=49440858
Emax=10.0018053622 nrkept=490 nrkeptmult=1146 
Total energy=-3.88376840431  Egs=-1.34094696348
Kept: 490 out of 1950, ratio=0.251
Memory used: 62 MB  Time elapsed: 32 s

 ***** [NRG] Iteration 37/67 (scale 3.8915231574889735e-06) ***** 
[1] xi(36)=0.999999999998 zeta(37)=0
Stats: nr=32 min=1 max=238 sum3=39819527
Emax=10.0004140546 nrkept=501 nrkeptmult=1161 
Total energy=-3.88377233121  Egs=-1.00909126576
Kept: 501 out of 1835, ratio=0.273
Memory used: 62 MB  Time elapsed: 32 s

 ***** [NRG] Iteration 38/67 (scale 2.7517224138049381e-06) ***** 
[1] xi(37)=0.999999999999 zeta(38)=0
Stats: nr=32 min=1 max=236 sum3=44419430
Emax=10.0098904799 nrkept=469 nrkeptmult=1080 
Total energy=-3.88377602004  Egs=-1.34055123495
Kept: 469 out of 1874, ratio=0.25
Memory used: 62 MB  Time elapsed: 32 s

 ***** [NRG] Iteration 39/67 (scale 1.9457615787444867e-06) ***** 
[1] xi(38)=0.999999999999 zeta(39)=0
Stats: nr=32 min=1 max=231 sum3=36050563
Emax=10.0009336811 nrkept=486 nrkeptmult=1122 
Total energy=-3.88377798258  Egs=-1.00862232239
Kept: 486 out of 1753, ratio=0.277
Memory used: 62 MB  Time elapsed: 32 s

 ***** [NRG] Iteration 40/67 (scale 1.3758612069024691e-06) ***** 
[1] xi(39)=1 zeta(40)=0
Stats: nr=32 min=1 max=229 sum3=40703350
Emax=10.033447743 nrkept=465 nrkeptmult=1069 
Total energy=-3.8837798267  Egs=-1.34034264283
Kept: 465 out of 1816, ratio=0.256
Memory used: 62 MB  Time elapsed: 32 s

 ***** [NRG] Iteration 41/67 (scale 9.7288078937224336e-07) ***** 
[1] xi(40)=1 zeta(41)=0
Stats: nr=32 min=1 max=228 sum3=35048397
Emax=10.0378345299 nrkept=485 nrkeptmult=1118 
Total energy=-3.88378080774  Egs=-1.00838487179
Kept: 485 out of 1737, ratio=0.279
Memory used: 62 MB  Time elapsed: 32 s

 ***** [NRG] Iteration 42/67 (scale 6.8793060345123453e-07) ***** 
[1] xi(41)=1 zeta(42)=0
Stats: nr=32 min=1 max=228 sum3=40307766
Emax=10.0613446618 nrkept=465 nrkeptmult=1069 
Total energy=-3.88378172973  Egs=-1.34023553378
Kept: 465 out of 1812, ratio=0.257
Memory used: 62 MB  Time elapsed: 33 s

 ***** [NRG] Iteration 43/67 (scale 4.8644039468612168e-07) ***** 
[1] xi(42)=1 zeta(43)=0
Stats: nr=32 min=1 max=228 sum3=34952679
Emax=10.0544093157 nrkept=485 nrkeptmult=1118 
Total energy=-3.88378222019  Egs=-1.00826537775
Kept: 485 out of 1737, ratio=0.279
Memory used: 62 MB  Time elapsed: 33 s

 ***** [NRG] Iteration 44/67 (scale 3.4396530172561726e-07) ***** 
[1] xi(43)=1 zeta(44)=0
Stats: nr=32 min=1 max=228 sum3=40307766
Emax=10.0722619061 nrkept=465 nrkeptmult=1069 
Total energy=-3.88378268117  Egs=-1.34018125834
Kept: 465 out of 1812, ratio=0.257
Memory used: 62 MB  Time elapsed: 33 s

 ***** [NRG] Iteration 45/67 (scale 2.4322019734306084e-07) ***** 
[1] xi(44)=1 zeta(45)=0
Stats: nr=32 min=1 max=228 sum3=34952679
Emax=10.0627833648 nrkept=485 nrkeptmult=1118 
Total energy=-3.88378292638  Egs=-1.00820543538
Kept: 485 out of 1737, ratio=0.279
Memory used: 62 MB  Time elapsed: 33 s

 ***** [NRG] Iteration 46/67 (scale 1.7198265086280863e-07) ***** 
[1] xi(45)=1 zeta(46)=0
Stats: nr=32 min=1 max=228 sum3=40307766
Emax=10.0777337609 nrkept=465 nrkeptmult=1069 
Total energy=-3.88378315686  Egs=-1.34015393817
Kept: 465 out of 1812, ratio=0.257
Memory used: 62 MB  Time elapsed: 33 s

 ***** [NRG] Iteration 47/67 (scale 1.2161009867153042e-07) ***** 
[1] xi(46)=1 zeta(47)=0
Stats: nr=32 min=1 max=228 sum3=34952679
Emax=10.0669917196 nrkept=485 nrkeptmult=1118 
Total energy=-3.88378327947  Egs=-1.00817541493
Kept: 485 out of 1737, ratio=0.279
Memory used: 62 MB  Time elapsed: 33 s

 ***** [NRG] Iteration 48/67 (scale 8.5991325431404316e-08) ***** 
[1] xi(47)=1 zeta(48)=0
Stats: nr=32 min=1 max=228 sum3=40307766
Emax=10.0804727796 nrkept=465 nrkeptmult=1069 
Total energy=-3.88378339471  Egs=-1.34014023221
Kept: 465 out of 1812, ratio=0.257
Memory used: 62 MB  Time elapsed: 33 s

 ***** [NRG] Iteration 49/67 (scale 6.080504933576521e-08) ***** 
[1] xi(48)=1 zeta(49)=0
Stats: nr=32 min=1 max=228 sum3=34952679
Emax=10.0691012265 nrkept=485 nrkeptmult=1118 
Total energy=-3.88378345601  Egs=-1.0081603923
Kept: 485 out of 1737, ratio=0.279
Memory used: 62 MB  Time elapsed: 33 s

 ***** [NRG] Iteration 50/67 (scale 4.2995662715702158e-08) ***** 
[1] xi(49)=1 zeta(50)=0
Stats: nr=32 min=1 max=228 sum3=40307766
Emax=10.0818430469 nrkept=465 nrkeptmult=1069 
Total energy=-3.88378351363  Egs=-1.34013336777
Kept: 465 out of 1812, ratio=0.257
Memory used: 62 MB  Time elapsed: 34 s

 ***** [NRG] Iteration 51/67 (scale 3.0402524667882605e-08) ***** 
[1] xi(50)=1 zeta(51)=0
Stats: nr=32 min=1 max=228 sum3=34952679
Emax=10.0701573118 nrkept=485 nrkeptmult=1118 
Total energy=-3.88378354428  Egs=-1.00815287785
Kept: 485 out of 1737, ratio=0.279
Memory used: 63 MB  Time elapsed: 34 s

 ***** [NRG] Iteration 52/67 (scale 2.1497831357851079e-08) ***** 
[1] xi(51)=1 zeta(52)=0
Stats: nr=32 min=1 max=228 sum3=40307766
Emax=10.0825283679 nrkept=465 nrkeptmult=1069 
Total energy=-3.88378357309  Egs=-1.34012993272
Kept: 465 out of 1812, ratio=0.257
Memory used: 63 MB  Time elapsed: 34 s

 ***** [NRG] Iteration 53/67 (scale 1.5201262333941303e-08) ***** 
[1] xi(52)=1 zeta(53)=0
Stats: nr=32 min=1 max=228 sum3=34952679
Emax=10.0706856874 nrkept=485 nrkeptmult=1118 
Total energy=-3.88378358842  Egs=-1.0081491198
Kept: 485 out of 1737, ratio=0.279
Memory used: 63 MB  Time elapsed: 34 s

 ***** [NRG] Iteration 54/67 (scale 1.0748915678925539e-08) ***** 
[1] xi(53)=1 zeta(54)=0
Stats: nr=32 min=1 max=228 sum3=40307766
Emax=10.0828710748 nrkept=465 nrkeptmult=1069 
Total energy=-3.88378360282  Egs=-1.34012821452
Kept: 465 out of 1812, ratio=0.257
Memory used: 63 MB  Time elapsed: 34 s

 ***** [NRG] Iteration 55/67 (scale 7.6006311669706513e-09) ***** 
[1] xi(54)=1 zeta(55)=0
Stats: nr=32 min=1 max=228 sum3=34952679
Emax=10.0709499586 nrkept=485 nrkeptmult=1118 
Total energy=-3.88378361048  Egs=-1.00814724054
Kept: 485 out of 1737, ratio=0.279
Memory used: 63 MB  Time elapsed: 34 s

 ***** [NRG] Iteration 56/67 (scale 5.3744578394627697e-09) ***** 
[1] xi(55)=1 zeta(56)=0
Stats: nr=32 min=1 max=228 sum3=40307766
Safeguard: keep additional 1 states
Emax=10.0830424397 nrkept=466 nrkeptmult=1071 
Total energy=-3.88378361769  Egs=-1.3401273553
Kept: 466 out of 1812, ratio=0.257
Memory used: 63 MB  Time elapsed: 34 s

 ***** [NRG] Iteration 57/67 (scale 3.8003155834853256e-09) ***** 
[1] xi(56)=1 zeta(57)=0
Stats: nr=32 min=1 max=228 sum3=35002531
Emax=10.0710821152 nrkept=485 nrkeptmult=1118 
Total energy=-3.88378362152  Egs=-1.00814630082
Kept: 485 out of 1741, ratio=0.279
Memory used: 63 MB  Time elapsed: 34 s

 ***** [NRG] Iteration 58/67 (scale 2.6872289197313849e-09) ***** 
[1] xi(57)=1 zeta(58)=0
Stats: nr=32 min=1 max=228 sum3=40307766
Emax=10.0830860531 nrkept=465 nrkeptmult=1067 
Total energy=-3.88378362512  Egs=-1.34012692569
Kept: 465 out of 1812, ratio=0.257
Memory used: 63 MB  Time elapsed: 35 s

 ***** [NRG] Iteration 59/67 (scale 1.9001577917426628e-09) ***** 
[1] xi(58)=1 zeta(59)=0
Stats: nr=32 min=1 max=228 sum3=34991517
Emax=10.0711481988 nrkept=485 nrkeptmult=1118 
Total energy=-3.88378362703  Egs=-1.0081458309
Kept: 485 out of 1737, ratio=0.279
Memory used: 63 MB  Time elapsed: 35 s

 ***** [NRG] Iteration 60/67 (scale 1.3436144598656924e-09) ***** 
[1] xi(59)=1 zeta(60)=0
Stats: nr=32 min=1 max=228 sum3=40307766
Emax=10.0831120227 nrkept=465 nrkeptmult=1067 
Total energy=-3.88378362883  Egs=-1.34012671093
Kept: 465 out of 1812, ratio=0.257
Memory used: 63 MB  Time elapsed: 35 s

 ***** [NRG] Iteration 61/67 (scale 9.5007889587133141e-10) ***** 
[1] xi(60)=1 zeta(61)=0
Stats: nr=32 min=1 max=228 sum3=34991517
Emax=10.0711812422 nrkept=485 nrkeptmult=1118 
Total energy=-3.88378362979  Egs=-1.00814559589
Kept: 485 out of 1737, ratio=0.279
Memory used: 63 MB  Time elapsed: 35 s

 ***** [NRG] Iteration 62/67 (scale 6.7180722993284622e-10) ***** 
[1] xi(61)=1 zeta(62)=0
Stats: nr=32 min=1 max=228 sum3=40307766
Emax=10.0831250119 nrkept=465 nrkeptmult=1067 
Total energy=-3.88378363069  Egs=-1.34012660359
Kept: 465 out of 1812, ratio=0.257
Memory used: 63 MB  Time elapsed: 35 s

 ***** [NRG] Iteration 63/67 (scale 4.750394479356657e-10) ***** 
[1] xi(62)=1 zeta(63)=0
Stats: nr=32 min=1 max=228 sum3=34991517
Emax=10.0711977644 nrkept=485 nrkeptmult=1118 
Total energy=-3.88378363117  Egs=-1.00814547834
Kept: 485 out of 1737, ratio=0.279
Memory used: 63 MB  Time elapsed: 35 s

 ***** [NRG] Iteration 64/67 (scale 3.3590361496642311e-10) ***** 
[1] xi(63)=1 zeta(64)=0
Stats: nr=32 min=1 max=228 sum3=40307766
Emax=10.0831315045 nrkept=465 nrkeptmult=1067 
Total energy=-3.88378363162  Egs=-1.34012654998
Kept: 465 out of 1812, ratio=0.257
Memory used: 63 MB  Time elapsed: 35 s

 ***** [NRG] Iteration 65/67 (scale 2.3751972396783285e-10) ***** 
[1] xi(64)=1 zeta(65)=0
Stats: nr=32 min=1 max=228 sum3=34991517
Emax=10.0712060257 nrkept=485 nrkeptmult=1118 
Total energy=-3.88378363186  Egs=-1.00814541952
Kept: 485 out of 1737, ratio=0.279
Memory used: 63 MB  Time elapsed: 35 s

 ***** [NRG] Iteration 66/67 (scale 1.6795180748321155e-10) ***** 
[1] xi(65)=1 zeta(66)=0
Stats: nr=32 min=1 max=228 sum3=40307766
Emax=10.0831347502 nrkept=465 nrkeptmult=1067 
Total energy=-3.88378363209  Egs=-1.34012652322
Kept: 465 out of 1812, ratio=0.257
Memory used: 63 MB  Time elapsed: 35 s

 ***** [NRG] Iteration 67/67 (scale 1.1875986198391643e-10) ***** 
[1] xi(66)=1 zeta(67)=0
Stats: nr=32 min=1 max=228 sum3=34991517
Emax=10.0712101566 nrkept=485 nrkeptmult=1118 
Total energy=-3.88378363221  Egs=-1.00814539007
Kept: 485 out of 1737, ratio=0.279
Memory used: 63 MB  Time elapsed: 36 s

** Iteration completed.


Total energy:             -3.883783632206144
TKW=7.01543508995e-05
Grand canonical Z=              11.38166529327558
Zft (last shell)=               11.36200202848033
Master done. Terminating slave processes.
Master exiting.

Memory usage report (process 0)
===================
  after diag: 115956 kB
after recalc: 65524 kB
 after split: 124556 kB
  after trim: 65524 kB
 after trunc: 116064 kB
      diag_h: 118088 kB

Peak usage: 124556 kB

Timing report (process 0)
=============
         All: 36 s
        diag: 35 s
       Other: 1 s
