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=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=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=	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=10 Nmax=66 channels=1 dots=1 betabar=1

Number of invariant subspaces: 6
(-2 1) 1 states
0.0371003200129 
(-1 2) 2 states
0.0174456587911 0.0557747230913 
(0 1) 3 states
0 0.0409705667398 0.0771922003033 
(0 3) 1 states
0.0361200618695 
(1 2) 2 states
0.0208716860564 0.0601907609737 
(2 1) 1 states
0.0449423851607 
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=3.03810949958 nrkept=35 nrkeptmult=64 
Total energy=-1.087268897  Egs=-1.46173843701
Kept: 35 out of 35, ratio=1
Memory used: 10 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=5.47227226153 nrkept=126 nrkeptmult=256 
Total energy=-1.38905108814  Egs=-0.591648900832
Kept: 126 out of 126, ratio=1
Memory used: 11 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
Emax=10.0147647354 nrkept=458 nrkeptmult=1018 
Total energy=-1.92019079114  Egs=-1.47263195048
Kept: 458 out of 462, ratio=0.991
Memory used: 13 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=208 sum3=36050536
Safeguard: keep additional 3 states
Emax=10.8944265627 nrkept=1262 nrkeptmult=3046 
Total energy=-2.1206327009  Egs=-0.785939257312
Kept: 1262 out of 1702, ratio=0.741
Memory used: 21 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 5/66 (scale 0.18033688011112042) ***** 
[1] xi(4)=0.96993426226 zeta(5)=0
Stats: nr=36 min=1 max=562 sum3=563416750
Emax=10.000047243 nrkept=1683 nrkeptmult=4167 
Total energy=-2.39225978887  Egs=-1.50622040152
Kept: 1683 out of 4738, ratio=0.355
Memory used: 29 MB  Time elapsed: 1 s

 ***** [NRG] Iteration 6/66 (scale 0.12751743082459868) ***** 
[1] xi(5)=0.984675515632 zeta(6)=0
Stats: nr=42 min=1 max=656 sum3=1265910548
Emax=10.8591071901 nrkept=2121 nrkeptmult=5281 
Total energy=-2.50141582149  Egs=-0.856008719073
Kept: 2121 out of 6338, ratio=0.335
Memory used: 34 MB  Time elapsed: 2 s

 ***** [NRG] Iteration 7/66 (scale 0.090168440055560212) ***** 
[1] xi(6)=0.992263204714 zeta(7)=0
Stats: nr=44 min=1 max=908 sum3=2507340554
Safeguard: keep additional 1 states
Emax=10.0337991359 nrkept=1772 nrkeptmult=4376 
Total energy=-2.6364828638  Egs=-1.49794143302
Kept: 1772 out of 8000, ratio=0.222
Memory used: 37 MB  Time elapsed: 5 s

 ***** [NRG] Iteration 8/66 (scale 0.063758715412299341) ***** 
[1] xi(7)=0.996112749408 zeta(8)=0
Stats: nr=42 min=1 max=702 sum3=1514119531
Emax=10.0246945465 nrkept=1997 nrkeptmult=4963 
Total energy=-2.69338975431  Egs=-0.892535085564
Kept: 1997 out of 6679, ratio=0.299
Memory used: 38 MB  Time elapsed: 7 s

 ***** [NRG] Iteration 9/66 (scale 0.045084220027780106) ***** 
[1] xi(8)=0.998051634085 zeta(9)=0
Stats: nr=43 min=1 max=862 sum3=2126777909
Emax=10.0010360046 nrkept=1721 nrkeptmult=4270 
Total energy=-2.75973766891  Egs=-1.47164383797
Kept: 1721 out of 7529, ratio=0.229
Memory used: 41 MB  Time elapsed: 9 s

 ***** [NRG] Iteration 10/66 (scale 0.031879357706149671) ***** 
[1] xi(9)=0.99902462843 zeta(10)=0
Stats: nr=42 min=1 max=674 sum3=1372581634
Emax=10.0020263216 nrkept=1855 nrkeptmult=4603 
Total energy=-2.7892097599  Egs=-0.924488230382
Kept: 1855 out of 6490, ratio=0.286
Memory used: 42 MB  Time elapsed: 11 s

 ***** [NRG] Iteration 11/66 (scale 0.022542110013890053) ***** 
[1] xi(10)=0.999512016628 zeta(11)=0
Stats: nr=43 min=1 max=801 sum3=1703305611
Emax=10.000087276 nrkept=1627 nrkeptmult=4028 
Total energy=-2.82156741439  Egs=-1.4354314869
Kept: 1627 out of 6993, ratio=0.233
Memory used: 42 MB  Time elapsed: 13 s

 ***** [NRG] Iteration 12/66 (scale 0.015939678853074835) ***** 
[1] xi(11)=0.999755933863 zeta(12)=0
Stats: nr=42 min=1 max=639 sum3=1168460586
Emax=10.0001153225 nrkept=1794 nrkeptmult=4459 
Total energy=-2.83687194774  Egs=-0.960153180576
Kept: 1794 out of 6132, ratio=0.293
Memory used: 45 MB  Time elapsed: 14 s

 ***** [NRG] Iteration 13/66 (scale 0.011271055006945026) ***** 
[1] xi(12)=0.999877948312 zeta(13)=0
Stats: nr=42 min=1 max=780 sum3=1565245725
Emax=10.0007269057 nrkept=1539 nrkeptmult=3797 
Total energy=-2.85254944206  Egs=-1.39095180575
Kept: 1539 out of 6759, ratio=0.228
Memory used: 48 MB  Time elapsed: 16 s

 ***** [NRG] Iteration 14/66 (scale 0.0079698394265374176) ***** 
[1] xi(13)=0.9999389695 zeta(14)=0
Stats: nr=41 min=1 max=609 sum3=1007540828
Emax=10.0212002742 nrkept=1613 nrkeptmult=3945 
Total energy=-2.86053829824  Egs=-1.00238609044
Kept: 1613 out of 5798, ratio=0.278
Memory used: 48 MB  Time elapsed: 18 s

 ***** [NRG] Iteration 15/66 (scale 0.0056355275034725132) ***** 
[1] xi(14)=0.999969483586 zeta(15)=0
Stats: nr=38 min=1 max=711 sum3=1163359737
Emax=10.0013613583 nrkept=1398 nrkeptmult=3447 
Total energy=-2.86807951348  Egs=-1.33815605225
Kept: 1398 out of 6069, ratio=0.23
Memory used: 47 MB  Time elapsed: 19 s

 ***** [NRG] Iteration 16/66 (scale 0.0039849197132687088) ***** 
[1] xi(15)=0.999984741502 zeta(16)=0
Stats: nr=41 min=1 max=566 sum3=756001209
Emax=10.0001705155 nrkept=1399 nrkeptmult=3427 
Total energy=-2.8722743637  Egs=-1.05268123884
Kept: 1399 out of 5265, ratio=0.266
Memory used: 48 MB  Time elapsed: 20 s

 ***** [NRG] Iteration 17/66 (scale 0.0028177637517362566) ***** 
[1] xi(16)=0.999992370678 zeta(17)=0
Stats: nr=37 min=1 max=627 sum3=787148776
Emax=10.0035379437 nrkept=1299 nrkeptmult=3211 
Total energy=-2.87587231851  Egs=-1.27688306527
Kept: 1299 out of 5266, ratio=0.247
Memory used: 49 MB  Time elapsed: 22 s

 ***** [NRG] Iteration 18/66 (scale 0.0019924598566343544) ***** 
[1] xi(17)=0.999996185321 zeta(18)=0
Stats: nr=41 min=1 max=534 sum3=618995697
Emax=10.004142126 nrkept=1186 nrkeptmult=2896 
Total energy=-2.87808824054  Egs=-1.11215391474
Kept: 1186 out of 4893, ratio=0.242
Memory used: 50 MB  Time elapsed: 22 s

 ***** [NRG] Iteration 19/66 (scale 0.0014088818758681283) ***** 
[1] xi(18)=0.999998092656 zeta(19)=0
Stats: nr=35 min=1 max=537 sum3=497359925
Emax=10.0031585574 nrkept=1147 nrkeptmult=2873 
Total energy=-2.87978913202  Egs=-1.20726336469
Kept: 1147 out of 4463, ratio=0.257
Memory used: 50 MB  Time elapsed: 23 s

 ***** [NRG] Iteration 20/66 (scale 0.0009962299283171772) ***** 
[1] xi(19)=0.999999046327 zeta(20)=0
Stats: nr=40 min=1 max=484 sum3=433246644
Emax=10.0065962513 nrkept=1059 nrkeptmult=2612 
Total energy=-2.88096660502  Egs=-1.18192896305
Kept: 1059 out of 4326, ratio=0.245
Memory used: 53 MB  Time elapsed: 24 s

 ***** [NRG] Iteration 21/66 (scale 0.00070444093793406415) ***** 
[1] xi(20)=0.999999523163 zeta(21)=0
Stats: nr=35 min=1 max=477 sum3=352969951
Emax=10.0022279515 nrkept=1025 nrkeptmult=2577 
Total energy=-2.88176287762  Egs=-1.13036105547
Kept: 1025 out of 3991, ratio=0.257
Memory used: 54 MB  Time elapsed: 25 s

 ***** [NRG] Iteration 22/66 (scale 0.0004981149641585886) ***** 
[1] xi(21)=0.999999761581 zeta(22)=0
Stats: nr=40 min=1 max=434 sum3=317898779
Emax=10.0015658157 nrkept=957 nrkeptmult=2379 
Total energy=-2.88239161301  Egs=-1.26222946328
Kept: 957 out of 3869, ratio=0.247
Memory used: 55 MB  Time elapsed: 25 s

 ***** [NRG] Iteration 23/66 (scale 0.00035222046896703208) ***** 
[1] xi(22)=0.999999880791 zeta(23)=0
Stats: nr=34 min=1 max=434 sum3=264478365
Emax=10.0000845595 nrkept=928 nrkeptmult=2325 
Total energy=-2.88276377429  Egs=-1.05661456626
Kept: 928 out of 3609, ratio=0.257
Memory used: 58 MB  Time elapsed: 26 s

 ***** [NRG] Iteration 24/66 (scale 0.0002490574820792943) ***** 
[1] xi(23)=0.999999940395 zeta(24)=0
Stats: nr=38 min=1 max=394 sum3=235689335
Emax=10.0008450074 nrkept=846 nrkeptmult=2104 
Total energy=-2.88309755113  Egs=-1.34015989026
Kept: 846 out of 3503, ratio=0.242
Memory used: 56 MB  Time elapsed: 26 s

 ***** [NRG] Iteration 25/66 (scale 0.00017611023448351604) ***** 
[1] xi(24)=0.999999970198 zeta(25)=0
Stats: nr=34 min=1 max=388 sum3=184837653
Emax=10.0009479106 nrkept=830 nrkeptmult=2070 
Total energy=-2.88328021756  Egs=-1.03722779315
Kept: 830 out of 3189, ratio=0.26
Memory used: 57 MB  Time elapsed: 26 s

 ***** [NRG] Iteration 26/66 (scale 0.00012452874103964715) ***** 
[1] xi(25)=0.999999985099 zeta(26)=0
Stats: nr=37 min=1 max=356 sum3=174772415
Emax=10.0088359706 nrkept=754 nrkeptmult=1858 
Total energy=-2.88344771771  Egs=-1.34507222047
Kept: 754 out of 3131, ratio=0.241
Memory used: 57 MB  Time elapsed: 27 s

 ***** [NRG] Iteration 27/66 (scale 8.8055117241758019e-05) ***** 
[1] xi(26)=0.999999992549 zeta(27)=0
Stats: nr=33 min=1 max=348 sum3=133232308
Emax=10.0012953664 nrkept=736 nrkeptmult=1806 
Total energy=-2.88353797115  Egs=-1.02496519796
Kept: 736 out of 2842, ratio=0.259
Memory used: 59 MB  Time elapsed: 27 s

 ***** [NRG] Iteration 28/66 (scale 6.2264370519823575e-05) ***** 
[1] xi(27)=0.999999996275 zeta(28)=0
Stats: nr=37 min=1 max=323 sum3=126488856
Emax=10.0058288814 nrkept=662 nrkeptmult=1604 
Total energy=-2.88362171798  Egs=-1.34502011586
Kept: 662 out of 2772, ratio=0.239
Memory used: 59 MB  Time elapsed: 27 s

 ***** [NRG] Iteration 29/66 (scale 4.402755862087901e-05) ***** 
[1] xi(28)=0.999999998137 zeta(29)=0
Stats: nr=32 min=2 max=312 sum3=93638934
Emax=10.0067736937 nrkept=660 nrkeptmult=1594 
Total energy=-2.88366651566  Egs=-1.01749181935
Kept: 660 out of 2490, ratio=0.265
Memory used: 59 MB  Time elapsed: 28 s

 ***** [NRG] Iteration 30/66 (scale 3.1132185259911788e-05) ***** 
[1] xi(29)=0.999999999069 zeta(30)=0
Stats: nr=36 min=1 max=292 sum3=91632135
Safeguard: keep additional 1 states
Emax=10.0005006108 nrkept=592 nrkeptmult=1416 
Total energy=-2.88370834308  Egs=-1.34354292329
Kept: 592 out of 2481, ratio=0.239
Memory used: 60 MB  Time elapsed: 28 s

 ***** [NRG] Iteration 31/66 (scale 2.2013779310439505e-05) ***** 
[1] xi(30)=0.999999999534 zeta(31)=0
Stats: nr=32 min=1 max=283 sum3=68587480
Emax=10.0086767486 nrkept=588 nrkeptmult=1403 
Total energy=-2.88373064647  Egs=-1.01315573615
Kept: 588 out of 2224, ratio=0.264
Memory used: 61 MB  Time elapsed: 28 s

 ***** [NRG] Iteration 32/66 (scale 1.5566092629955894e-05) ***** 
[1] xi(31)=0.999999999767 zeta(32)=0
Stats: nr=35 min=1 max=261 sum3=65731552
Emax=10.0120307815 nrkept=542 nrkeptmult=1273 
Total energy=-2.88375153864  Egs=-1.3421589204
Kept: 542 out of 2206, ratio=0.246
Memory used: 62 MB  Time elapsed: 28 s

 ***** [NRG] Iteration 33/66 (scale 1.1006889655219752e-05) ***** 
[1] xi(32)=0.999999999884 zeta(33)=0
Stats: nr=32 min=1 max=262 sum3=53661903
Emax=10.0074347386 nrkept=538 nrkeptmult=1260 
Total energy=-2.88376266399  Egs=-1.01076206736
Kept: 538 out of 2031, ratio=0.265
Memory used: 62 MB  Time elapsed: 28 s

 ***** [NRG] Iteration 34/66 (scale 7.7830463149779469e-06) ***** 
[1] xi(33)=0.999999999942 zeta(34)=0
Stats: nr=33 min=1 max=247 sum3=54149904
Emax=10.0027947781 nrkept=506 nrkeptmult=1183 
Total energy=-2.88377310287  Egs=-1.34123318869
Kept: 506 out of 2016, ratio=0.251
Memory used: 63 MB  Time elapsed: 29 s

 ***** [NRG] Iteration 35/66 (scale 5.5034448276098762e-06) ***** 
[1] xi(34)=0.999999999971 zeta(35)=0
Stats: nr=32 min=1 max=246 sum3=44228392
Emax=10.0079188521 nrkept=510 nrkeptmult=1186 
Total energy=-2.88377865855  Egs=-1.00949200235
Kept: 510 out of 1894, ratio=0.269
Memory used: 63 MB  Time elapsed: 29 s

 ***** [NRG] Iteration 36/66 (scale 3.8915231574889735e-06) ***** 
[1] xi(35)=0.999999999985 zeta(36)=0
Stats: nr=32 min=1 max=239 sum3=46884661
Emax=10.0017727687 nrkept=472 nrkeptmult=1091 
Total energy=-2.88378387591  Egs=-1.340697403
Kept: 472 out of 1909, ratio=0.247
Memory used: 63 MB  Time elapsed: 29 s

 ***** [NRG] Iteration 37/66 (scale 2.7517224138049381e-06) ***** 
[1] xi(36)=0.999999999993 zeta(37)=0
Stats: nr=32 min=1 max=231 sum3=36254311
Emax=10.0005729733 nrkept=493 nrkeptmult=1142 
Total energy=-2.88378665194  Egs=-1.00883563731
Kept: 493 out of 1765, ratio=0.279
Memory used: 63 MB  Time elapsed: 29 s

 ***** [NRG] Iteration 38/66 (scale 1.9457615787444867e-06) ***** 
[1] xi(37)=0.999999999996 zeta(38)=0
Stats: nr=32 min=1 max=232 sum3=42053863
Emax=10.0090547662 nrkept=466 nrkeptmult=1071 
Total energy=-2.88378926006  Egs=-1.34040887031
Kept: 466 out of 1843, ratio=0.253
Memory used: 63 MB  Time elapsed: 29 s

 ***** [NRG] Iteration 39/66 (scale 1.3758612069024691e-06) ***** 
[1] xi(38)=0.999999999998 zeta(39)=0
Stats: nr=32 min=1 max=229 sum3=35364085
Emax=10.0120885869 nrkept=485 nrkeptmult=1119 
Total energy=-2.88379064762  Egs=-1.00850165314
Kept: 485 out of 1741, ratio=0.279
Memory used: 62 MB  Time elapsed: 29 s

 ***** [NRG] Iteration 40/66 (scale 9.7288078937224336e-07) ***** 
[1] xi(39)=0.999999999999 zeta(40)=0
Stats: nr=32 min=1 max=228 sum3=40341882
Emax=10.0524034912 nrkept=465 nrkeptmult=1069 
Total energy=-2.88379195153  Egs=-1.34025908972
Kept: 465 out of 1812, ratio=0.257
Memory used: 62 MB  Time elapsed: 29 s

 ***** [NRG] Iteration 41/66 (scale 6.8793060345123453e-07) ***** 
[1] xi(40)=1 zeta(41)=0
Stats: nr=32 min=1 max=228 sum3=34952679
Emax=10.0474414116 nrkept=485 nrkeptmult=1118 
Total energy=-2.88379264519  Egs=-1.00833314403
Kept: 485 out of 1737, ratio=0.279
Memory used: 62 MB  Time elapsed: 30 s

 ***** [NRG] Iteration 42/66 (scale 4.8644039468612168e-07) ***** 
[1] xi(41)=1 zeta(42)=0
Stats: nr=32 min=1 max=228 sum3=40307766
Emax=10.0678091369 nrkept=465 nrkeptmult=1069 
Total energy=-2.88379329711  Egs=-1.34018277332
Kept: 465 out of 1812, ratio=0.257
Memory used: 62 MB  Time elapsed: 30 s

 ***** [NRG] Iteration 43/66 (scale 3.4396530172561726e-07) ***** 
[1] xi(42)=1 zeta(43)=0
Stats: nr=32 min=1 max=228 sum3=34952679
Emax=10.0592295167 nrkept=485 nrkeptmult=1118 
Total energy=-2.88379364391  Egs=-1.00824850162
Kept: 485 out of 1737, ratio=0.279
Memory used: 62 MB  Time elapsed: 30 s

 ***** [NRG] Iteration 44/66 (scale 2.4322019734306084e-07) ***** 
[1] xi(43)=1 zeta(44)=0
Stats: nr=32 min=1 max=228 sum3=40307766
Emax=10.0755388411 nrkept=465 nrkeptmult=1069 
Total energy=-2.88379396986  Egs=-1.34014425217
Kept: 465 out of 1812, ratio=0.257
Memory used: 63 MB  Time elapsed: 30 s

 ***** [NRG] Iteration 45/66 (scale 1.7198265086280863e-07) ***** 
[1] xi(44)=1 zeta(45)=0
Stats: nr=32 min=1 max=228 sum3=34952679
Emax=10.0651674791 nrkept=485 nrkeptmult=1118 
Total energy=-2.88379414326  Egs=-1.00820608229
Kept: 485 out of 1737, ratio=0.279
Memory used: 63 MB  Time elapsed: 30 s

 ***** [NRG] Iteration 46/66 (scale 1.2161009867153042e-07) ***** 
[1] xi(45)=1 zeta(46)=0
Stats: nr=32 min=1 max=228 sum3=40307766
Emax=10.0794099793 nrkept=465 nrkeptmult=1069 
Total energy=-2.88379430623  Egs=-1.34012490008
Kept: 465 out of 1812, ratio=0.257
Memory used: 63 MB  Time elapsed: 30 s

 ***** [NRG] Iteration 47/66 (scale 8.5991325431404316e-08) ***** 
[1] xi(46)=1 zeta(47)=0
Stats: nr=32 min=1 max=228 sum3=34952679
Emax=10.0681471191 nrkept=485 nrkeptmult=1118 
Total energy=-2.88379439293  Egs=-1.00818484792
Kept: 485 out of 1737, ratio=0.279
Memory used: 63 MB  Time elapsed: 30 s

 ***** [NRG] Iteration 48/66 (scale 6.080504933576521e-08) ***** 
[1] xi(47)=1 zeta(48)=0
Stats: nr=32 min=1 max=228 sum3=40307766
Emax=10.0813470769 nrkept=465 nrkeptmult=1069 
Total energy=-2.88379447441  Egs=-1.34011520109
Kept: 465 out of 1812, ratio=0.257
Memory used: 63 MB  Time elapsed: 30 s

 ***** [NRG] Iteration 49/66 (scale 4.2995662715702158e-08) ***** 
[1] xi(48)=1 zeta(49)=0
Stats: nr=32 min=1 max=228 sum3=34952679
Emax=10.0696396025 nrkept=485 nrkeptmult=1118 
Total energy=-2.88379451776  Egs=-1.00817422451
Kept: 485 out of 1737, ratio=0.279
Memory used: 63 MB  Time elapsed: 30 s

 ***** [NRG] Iteration 50/66 (scale 3.0402524667882605e-08) ***** 
[1] xi(49)=1 zeta(50)=0
Stats: nr=32 min=1 max=228 sum3=40307766
Emax=10.0823160022 nrkept=465 nrkeptmult=1069 
Total energy=-2.8837945585  Egs=-1.34011034589
Kept: 465 out of 1812, ratio=0.257
Memory used: 63 MB  Time elapsed: 31 s

 ***** [NRG] Iteration 51/66 (scale 2.1497831357851079e-08) ***** 
[1] xi(50)=1 zeta(51)=0
Stats: nr=32 min=1 max=228 sum3=34952679
Emax=10.0703865099 nrkept=485 nrkeptmult=1118 
Total energy=-2.88379458017  Egs=-1.00816891122
Kept: 485 out of 1737, ratio=0.279
Memory used: 64 MB  Time elapsed: 31 s

 ***** [NRG] Iteration 52/66 (scale 1.5201262333941303e-08) ***** 
[1] xi(51)=1 zeta(52)=0
Stats: nr=32 min=1 max=228 sum3=40307766
Emax=10.0828005581 nrkept=465 nrkeptmult=1069 
Total energy=-2.88379460055  Egs=-1.3401079169
Kept: 465 out of 1812, ratio=0.257
Memory used: 65 MB  Time elapsed: 31 s

 ***** [NRG] Iteration 53/66 (scale 1.0748915678925539e-08) ***** 
[1] xi(52)=1 zeta(53)=0
Stats: nr=32 min=1 max=228 sum3=34952679
Emax=10.0707601301 nrkept=485 nrkeptmult=1118 
Total energy=-2.88379461138  Egs=-1.00816625414
Kept: 485 out of 1737, ratio=0.279
Memory used: 66 MB  Time elapsed: 31 s

 ***** [NRG] Iteration 54/66 (scale 7.6006311669706513e-09) ***** 
[1] xi(53)=1 zeta(54)=0
Stats: nr=32 min=1 max=228 sum3=40307766
Emax=10.0830428592 nrkept=465 nrkeptmult=1069 
Total energy=-2.88379462157  Egs=-1.34010670209
Kept: 465 out of 1812, ratio=0.257
Memory used: 68 MB  Time elapsed: 31 s

 ***** [NRG] Iteration 55/66 (scale 5.3744578394627697e-09) ***** 
[1] xi(54)=1 zeta(55)=0
Stats: nr=32 min=1 max=228 sum3=34952679
Emax=10.070946982 nrkept=485 nrkeptmult=1118 
Total energy=-2.88379462699  Egs=-1.00816492546
Kept: 485 out of 1737, ratio=0.279
Memory used: 68 MB  Time elapsed: 31 s

 ***** [NRG] Iteration 56/66 (scale 3.8003155834853256e-09) ***** 
[1] xi(55)=1 zeta(56)=0
Stats: nr=32 min=1 max=228 sum3=40307766
Emax=10.0831364601 nrkept=465 nrkeptmult=1067 
Total energy=-2.88379463208  Egs=-1.34010609465
Kept: 465 out of 1812, ratio=0.257
Memory used: 68 MB  Time elapsed: 31 s

 ***** [NRG] Iteration 57/66 (scale 2.6872289197313849e-09) ***** 
[1] xi(56)=1 zeta(57)=0
Stats: nr=32 min=1 max=228 sum3=34991517
Emax=10.0710404185 nrkept=485 nrkeptmult=1118 
Total energy=-2.88379463479  Egs=-1.00816426105
Kept: 485 out of 1737, ratio=0.279
Memory used: 68 MB  Time elapsed: 31 s

 ***** [NRG] Iteration 58/66 (scale 1.9001577917426628e-09) ***** 
[1] xi(57)=1 zeta(58)=0
Stats: nr=32 min=1 max=228 sum3=40307766
Emax=10.0831726218 nrkept=465 nrkeptmult=1067 
Total energy=-2.88379463733  Egs=-1.34010579096
Kept: 465 out of 1812, ratio=0.257
Memory used: 68 MB  Time elapsed: 32 s

 ***** [NRG] Iteration 59/66 (scale 1.3436144598656924e-09) ***** 
[1] xi(58)=1 zeta(59)=0
Stats: nr=32 min=1 max=228 sum3=34991517
Emax=10.0710871396 nrkept=485 nrkeptmult=1118 
Total energy=-2.88379463869  Egs=-1.00816392879
Kept: 485 out of 1737, ratio=0.279
Memory used: 68 MB  Time elapsed: 32 s

 ***** [NRG] Iteration 60/66 (scale 9.5007889587133141e-10) ***** 
[1] xi(59)=1 zeta(60)=0
Stats: nr=32 min=1 max=228 sum3=40307766
Emax=10.0831909925 nrkept=465 nrkeptmult=1067 
Total energy=-2.88379463996  Egs=-1.34010563916
Kept: 465 out of 1812, ratio=0.257
Memory used: 68 MB  Time elapsed: 32 s

 ***** [NRG] Iteration 61/66 (scale 6.7180722993284622e-10) ***** 
[1] xi(60)=1 zeta(61)=0
Stats: nr=32 min=1 max=228 sum3=34991517
Emax=10.0711105009 nrkept=485 nrkeptmult=1118 
Total energy=-2.88379464064  Egs=-1.00816376261
Kept: 485 out of 1737, ratio=0.279
Memory used: 68 MB  Time elapsed: 32 s

 ***** [NRG] Iteration 62/66 (scale 4.750394479356657e-10) ***** 
[1] xi(61)=1 zeta(62)=0
Stats: nr=32 min=1 max=228 sum3=40307766
Emax=10.0832001743 nrkept=465 nrkeptmult=1067 
Total energy=-2.88379464128  Egs=-1.34010556331
Kept: 465 out of 1812, ratio=0.257
Memory used: 68 MB  Time elapsed: 32 s

 ***** [NRG] Iteration 63/66 (scale 3.3590361496642311e-10) ***** 
[1] xi(62)=1 zeta(63)=0
Stats: nr=32 min=1 max=228 sum3=34991517
Emax=10.071122182 nrkept=485 nrkeptmult=1118 
Total energy=-2.88379464162  Egs=-1.00816367948
Kept: 485 out of 1737, ratio=0.279
Memory used: 68 MB  Time elapsed: 32 s

 ***** [NRG] Iteration 64/66 (scale 2.3751972396783285e-10) ***** 
[1] xi(63)=1 zeta(64)=0
Stats: nr=32 min=1 max=228 sum3=40307766
Emax=10.0832047641 nrkept=465 nrkeptmult=1067 
Total energy=-2.88379464193  Egs=-1.34010552544
Kept: 465 out of 1812, ratio=0.257
Memory used: 68 MB  Time elapsed: 32 s

 ***** [NRG] Iteration 65/66 (scale 1.6795180748321155e-10) ***** 
[1] xi(64)=1 zeta(65)=0
Stats: nr=32 min=1 max=228 sum3=34991517
Emax=10.0711280227 nrkept=485 nrkeptmult=1118 
Total energy=-2.8837946421  Egs=-1.00816363787
Kept: 485 out of 1737, ratio=0.279
Memory used: 68 MB  Time elapsed: 32 s

 ***** [NRG] Iteration 66/66 (scale 1.1875986198391643e-10) ***** 
[1] xi(65)=1 zeta(66)=0
Stats: nr=32 min=1 max=228 sum3=40307766
Emax=10.0832070586 nrkept=465 nrkeptmult=1067 
Total energy=-2.88379464226  Egs=-1.34010550655
Kept: 465 out of 1812, ratio=0.257
Memory used: 68 MB  Time elapsed: 33 s

** Iteration completed.


Total energy:              -2.88379464226187
TKW=7.01240071324e-05
Grand canonical Z=               9.91966785459112
Zft (last shell)=               9.900340044856797
Master done. Terminating slave processes.
Master exiting.

Memory usage report (process 0)
===================
  after diag: 107460 kB
after recalc: 70472 kB
 after split: 113696 kB
  after trim: 70472 kB
 after trunc: 107584 kB
      diag_h: 109584 kB

Peak usage: 113696 kB

Timing report (process 0)
=============
         All: 33 s
        diag: 32 s
       Other: 1 s
