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=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=0
saveF=0
trunc=
noimag=1
dumpsubspaces=0
done=0
resume=0
forcestop=-1
stopafter=
removefiles=1
store=one

>>  Input file for NRG Ljubljana, Rok Zitko, rok.zitko@ijs.si, 2005-2012
SYMMETRY TYPE: QS
>>  $Id: initial.m,v 1.1 2012/05/15 09:58:19 rokzitko Exp rokzitko $
>>  Using sneg version 	1.233
>>  Model: 	SIAM	 Variant: 		 Channels: 	1
>>  U=	0.01	 Gamma=	0.0006	 Delta=	0	 t=	0.
>> 
>>  Gamma^(1/2)=	0.019544100476116797
>>  Lambda=	2.	 BAND=	flat
>>  DISCRETIZATION=	Z	 z=	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
0.0288821029938 
(-1 2) 2 states
0.0134919159662 0.0408065541186 
(0 1) 3 states
0 0.0288821029938 0.0542984700848 
(0 3) 1 states
0.025416367091 
(1 2) 2 states
0.0134919159662 0.0408065541186 
(2 1) 1 states
0.0288821029938 
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=2.34042775316 nrkept=35 nrkeptmult=64 
Total energy=-1.19128133645  Egs=-1.13181906017
Kept: 35 out of 35, ratio=1
Memory used: 3 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=4.60862759142 nrkept=126 nrkeptmult=256 
Total energy=-1.65971104286  Egs=-0.649381460579
Kept: 126 out of 126, ratio=1
Memory used: 3 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=9.70653944298 nrkept=462 nrkeptmult=1024 
Total energy=-2.47300594393  Egs=-1.59447789963
Kept: 462 out of 462, ratio=1
Memory used: 3 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=10.2102919463 nrkept=1259 nrkeptmult=3041 
Total energy=-2.79396028105  Egs=-0.889874375451
Kept: 1259 out of 1716, ratio=0.734
Memory used: 8 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 3 states
Emax=10.2051877846 nrkept=1883 nrkeptmult=4684 
Total energy=-3.18924526205  Egs=-1.54992528645
Kept: 1883 out of 4728, ratio=0.398
Memory used: 13 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=718 sum3=1718931738
Safeguard: keep additional 3 states
Emax=10.2372496882 nrkept=2124 nrkeptmult=5286 
Total energy=-3.34424318364  Egs=-0.859490978776
Kept: 2124 out of 7092, ratio=0.299
Memory used: 16 MB  Time elapsed: 6 s

 ***** [NRG] Iteration 7/67 (scale 0.12751743082459868) ***** 
[1] xi(6)=0.998344002082 zeta(7)=0
Stats: nr=44 min=1 max=910 sum3=2520131436
Safeguard: keep additional 3 states
Emax=10.0166081331 nrkept=1922 nrkeptmult=4750 
Total energy=-3.53789516368  Egs=-1.51863144344
Kept: 1922 out of 8010, ratio=0.24
Memory used: 17 MB  Time elapsed: 13 s

 ***** [NRG] Iteration 8/67 (scale 0.090168440055560212) ***** 
[1] xi(7)=0.998902918682 zeta(8)=0
Stats: nr=42 min=1 max=745 sum3=1900468846
Emax=10.0000765093 nrkept=2096 nrkeptmult=5216 
Total energy=-3.61707910155  Egs=-0.878177972433
Kept: 2096 out of 7234, ratio=0.29
Memory used: 17 MB  Time elapsed: 19 s

 ***** [NRG] Iteration 9/67 (scale 0.063758715412299341) ***** 
[1] xi(8)=0.999398551363 zeta(9)=0
Stats: nr=44 min=1 max=896 sum3=2411599193
Safeguard: keep additional 1 states
Emax=10.0117364603 nrkept=1688 nrkeptmult=4186 
Total energy=-3.71247960272  Egs=-1.49627389064
Kept: 1688 out of 7901, ratio=0.214
Memory used: 15 MB  Time elapsed: 25 s

 ***** [NRG] Iteration 10/67 (scale 0.045084220027780106) ***** 
[1] xi(9)=0.99968731683 zeta(10)=0
Stats: nr=42 min=1 max=663 sum3=1318309146
Safeguard: keep additional 2 states
Emax=10.000148067 nrkept=1880 nrkeptmult=4656 
Total energy=-3.75297500638  Egs=-0.898216796057
Kept: 1880 out of 6372, ratio=0.295
Memory used: 15 MB  Time elapsed: 29 s

 ***** [NRG] Iteration 11/67 (scale 0.031879357706149671) ***** 
[1] xi(10)=0.9998407918 zeta(11)=0
Stats: nr=42 min=1 max=818 sum3=1801122757
Safeguard: keep additional 3 states
Emax=10.0051115908 nrkept=1654 nrkeptmult=4108 
Total energy=-3.79989851037  Egs=-1.47190870099
Kept: 1654 out of 7081, ratio=0.234
Memory used: 15 MB  Time elapsed: 34 s

 ***** [NRG] Iteration 12/67 (scale 0.022542110013890053) ***** 
[1] xi(11)=0.99991969299 zeta(12)=0
Stats: nr=42 min=1 max=646 sum3=1226297206
Safeguard: keep additional 2 states
Emax=10.0480918989 nrkept=1857 nrkeptmult=4609 
Total energy=-3.82057216647  Egs=-0.917112731739
Kept: 1857 out of 6244, ratio=0.297
Memory used: 16 MB  Time elapsed: 38 s

 ***** [NRG] Iteration 13/67 (scale 0.015939678853074835) ***** 
[1] xi(12)=0.999959672404 zeta(13)=0
Stats: nr=42 min=1 max=805 sum3=1725741631
Safeguard: keep additional 3 states
Emax=10.0005274117 nrkept=1570 nrkeptmult=3872 
Total energy=-3.84365737871  Egs=-1.44828590656
Kept: 1570 out of 6997, ratio=0.224
Memory used: 15 MB  Time elapsed: 43 s

 ***** [NRG] Iteration 14/67 (scale 0.011271055006945026) ***** 
[1] xi(13)=0.999979792879 zeta(14)=0
Stats: nr=42 min=1 max=616 sum3=1056127658
Emax=10.1582332322 nrkept=1737 nrkeptmult=4323 
Total energy=-3.8541772949  Egs=-0.93335683167
Kept: 1737 out of 5918, ratio=0.294
Memory used: 16 MB  Time elapsed: 47 s

 ***** [NRG] Iteration 15/67 (scale 0.0079698394265374176) ***** 
[1] xi(14)=0.999989885634 zeta(15)=0
Stats: nr=42 min=1 max=757 sum3=1424611469
Emax=10.0022595524 nrkept=1543 nrkeptmult=3798 
Total energy=-3.86555389781  Egs=-1.42745697919
Kept: 1543 out of 6545, ratio=0.236
Memory used: 15 MB  Time elapsed: 51 s

 ***** [NRG] Iteration 16/67 (scale 0.0056355275034725132) ***** 
[1] xi(15)=0.999994940118 zeta(16)=0
Stats: nr=42 min=1 max=603 sum3=994007036
Safeguard: keep additional 1 states
Emax=10.0096575674 nrkept=1618 nrkeptmult=3988 
Total energy=-3.87088937225  Egs=-0.946756881277
Kept: 1618 out of 5810, ratio=0.278
Memory used: 15 MB  Time elapsed: 54 s

 ***** [NRG] Iteration 17/67 (scale 0.0039849197132687088) ***** 
[1] xi(16)=0.999997469385 zeta(17)=0
Stats: nr=40 min=1 max=710 sum3=1166986187
Safeguard: keep additional 1 states
Emax=10.0028989996 nrkept=1374 nrkeptmult=3400 
Total energy=-3.87650473076  Egs=-1.40915223289
Kept: 1374 out of 6089, ratio=0.226
Memory used: 14 MB  Time elapsed: 58 s

 ***** [NRG] Iteration 18/67 (scale 0.0028177637517362566) ***** 
[1] xi(17)=0.999998734524 zeta(18)=0
Stats: nr=40 min=1 max=544 sum3=727958214
Emax=10.0180027177 nrkept=1323 nrkeptmult=3249 
Total energy=-3.87920768802  Egs=-0.959256168212
Kept: 1323 out of 5172, ratio=0.256
Memory used: 14 MB  Time elapsed: 60 s

 ***** [NRG] Iteration 19/67 (scale 0.0019924598566343544) ***** 
[1] xi(18)=0.99999936722 zeta(19)=0
Stats: nr=34 min=1 max=600 sum3=683744237
Safeguard: keep additional 1 states
Emax=10.0000211777 nrkept=1180 nrkeptmult=2924 
Total energy=-3.88197943495  Egs=-1.39111807634
Kept: 1180 out of 4985, ratio=0.237
Memory used: 15 MB  Time elapsed: 62 s

 ***** [NRG] Iteration 20/67 (scale 0.0014088818758681283) ***** 
[1] xi(19)=0.999999683599 zeta(20)=0
Stats: nr=40 min=1 max=470 sum3=470983616
Safeguard: keep additional 2 states
Emax=10.0068482863 nrkept=1148 nrkeptmult=2880 
Total energy=-3.88335086388  Egs=-0.973416547692
Kept: 1148 out of 4448, ratio=0.258
Memory used: 15 MB  Time elapsed: 64 s

 ***** [NRG] Iteration 21/67 (scale 0.0009962299283171772) ***** 
[1] xi(20)=0.999999841797 zeta(21)=0
Stats: nr=34 min=1 max=518 sum3=448761431
Safeguard: keep additional 1 states
Emax=10.0228257966 nrkept=983 nrkeptmult=2484 
Total energy=-3.88471661378  Egs=-1.37091835831
Kept: 983 out of 4337, ratio=0.227
Memory used: 14 MB  Time elapsed: 65 s

 ***** [NRG] Iteration 22/67 (scale 0.00070444093793406415) ***** 
[1] xi(21)=0.999999920898 zeta(22)=0
Stats: nr=40 min=1 max=401 sum3=281486718
Safeguard: keep additional 2 states
Emax=10.0114807955 nrkept=951 nrkeptmult=2421 
Total energy=-3.88541468699  Egs=-0.990960602664
Kept: 951 out of 3714, ratio=0.256
Memory used: 14 MB  Time elapsed: 66 s

 ***** [NRG] Iteration 23/67 (scale 0.0004981149641585886) ***** 
[1] xi(22)=0.999999960449 zeta(23)=0
Stats: nr=34 min=1 max=431 sum3=259720057
Emax=10.0014688735 nrkept=839 nrkeptmult=2152 
Total energy=-3.88608559602  Egs=-1.34689595413
Kept: 839 out of 3601, ratio=0.233
Memory used: 15 MB  Time elapsed: 67 s

 ***** [NRG] Iteration 24/67 (scale 0.00035222046896703208) ***** 
[1] xi(23)=0.999999980224 zeta(24)=0
Stats: nr=40 min=1 max=347 sum3=176410474
Safeguard: keep additional 2 states
Emax=10.0026704883 nrkept=893 nrkeptmult=2253 
Total energy=-3.88644237068  Egs=-1.01292992955
Kept: 893 out of 3178, ratio=0.281
Memory used: 14 MB  Time elapsed: 68 s

 ***** [NRG] Iteration 25/67 (scale 0.0002490574820792943) ***** 
[1] xi(24)=0.999999990112 zeta(25)=0
Stats: nr=34 min=1 max=407 sum3=215237222
Emax=10.0029985854 nrkept=825 nrkeptmult=2110 
Total energy=-3.88677059686  Egs=-1.31787319609
Kept: 825 out of 3374, ratio=0.245
Memory used: 15 MB  Time elapsed: 69 s

 ***** [NRG] Iteration 26/67 (scale 0.00017611023448351604) ***** 
[1] xi(25)=0.999999995056 zeta(26)=0
Stats: nr=40 min=1 max=339 sum3=167186888
Safeguard: keep additional 3 states
Emax=10.0035897807 nrkept=856 nrkeptmult=2144 
Total energy=-3.88695381303  Egs=-1.0403493552
Kept: 856 out of 3122, ratio=0.274
Memory used: 14 MB  Time elapsed: 69 s

 ***** [NRG] Iteration 27/67 (scale 0.00012452874103964715) ***** 
[1] xi(26)=0.999999997528 zeta(27)=0
Stats: nr=34 min=1 max=390 sum3=189389785
Safeguard: keep additional 1 states
Emax=10.0134310162 nrkept=814 nrkeptmult=2080 
Total energy=-3.88711354375  Egs=-1.28268160314
Kept: 814 out of 3229, ratio=0.252
Memory used: 15 MB  Time elapsed: 70 s

 ***** [NRG] Iteration 28/67 (scale 8.8055117241758019e-05) ***** 
[1] xi(27)=0.999999998764 zeta(28)=0
Stats: nr=40 min=1 max=332 sum3=159340638
Safeguard: keep additional 1 states
Emax=10.0065886627 nrkept=841 nrkeptmult=2095 
Total energy=-3.88720816563  Egs=-1.07457557632
Kept: 841 out of 3078, ratio=0.273
Memory used: 15 MB  Time elapsed: 71 s

 ***** [NRG] Iteration 29/67 (scale 6.2264370519823575e-05) ***** 
[1] xi(28)=0.999999999382 zeta(29)=0
Stats: nr=34 min=1 max=387 sum3=181534783
Safeguard: keep additional 1 states
Emax=10.0222203763 nrkept=811 nrkeptmult=2074 
Total energy=-3.88728537393  Egs=-1.2400076674
Kept: 811 out of 3169, ratio=0.256
Memory used: 15 MB  Time elapsed: 71 s

 ***** [NRG] Iteration 30/67 (scale 4.402755862087901e-05) ***** 
[1] xi(29)=0.999999999691 zeta(30)=0
Stats: nr=40 min=1 max=331 sum3=157127166
Safeguard: keep additional 1 states
Emax=10.0114362979 nrkept=823 nrkeptmult=2043 
Total energy=-3.88733456817  Egs=-1.1173511258
Kept: 823 out of 3066, ratio=0.268
Memory used: 15 MB  Time elapsed: 72 s

 ***** [NRG] Iteration 31/67 (scale 3.1132185259911788e-05) ***** 
[1] xi(30)=0.999999999846 zeta(31)=0
Stats: nr=34 min=1 max=381 sum3=170890643
Safeguard: keep additional 2 states
Emax=10.0003850898 nrkept=804 nrkeptmult=2062 
Total energy=-3.88737157133  Egs=-1.18858219048
Kept: 804 out of 3101, ratio=0.259
Memory used: 15 MB  Time elapsed: 72 s

 ***** [NRG] Iteration 32/67 (scale 2.2013779310439505e-05) ***** 
[1] xi(31)=0.999999999923 zeta(32)=0
Stats: nr=40 min=1 max=330 sum3=153740638
Emax=10.0043128431 nrkept=793 nrkeptmult=1973 
Total energy=-3.88739734007  Egs=-1.17057334193
Kept: 793 out of 3040, ratio=0.261
Memory used: 15 MB  Time elapsed: 73 s

 ***** [NRG] Iteration 33/67 (scale 1.5566092629955894e-05) ***** 
[1] xi(32)=0.999999999961 zeta(33)=0
Stats: nr=34 min=1 max=367 sum3=152229348
Safeguard: keep additional 1 states
Emax=10.0062041375 nrkept=797 nrkeptmult=2034 
Total energy=-3.88741489626  Egs=-1.12784798194
Kept: 797 out of 2988, ratio=0.267
Memory used: 15 MB  Time elapsed: 73 s

 ***** [NRG] Iteration 34/67 (scale 1.1006889655219752e-05) ***** 
[1] xi(33)=0.999999999981 zeta(34)=0
Stats: nr=38 min=1 max=328 sum3=150438540
Safeguard: keep additional 1 states
Emax=10.0031288908 nrkept=769 nrkeptmult=1935 
Total energy=-3.88742849528  Egs=-1.2355010094
Kept: 769 out of 3012, ratio=0.255
Memory used: 15 MB  Time elapsed: 74 s

 ***** [NRG] Iteration 35/67 (scale 7.7830463149779469e-06) ***** 
[1] xi(34)=0.99999999999 zeta(35)=0
Stats: nr=34 min=1 max=353 sum3=138528106
Safeguard: keep additional 2 states
Emax=10.0105216115 nrkept=797 nrkeptmult=2022 
Total energy=-3.88743674025  Egs=-1.05935026412
Kept: 797 out of 2902, ratio=0.275
Memory used: 15 MB  Time elapsed: 75 s

 ***** [NRG] Iteration 36/67 (scale 5.5034448276098762e-06) ***** 
[1] xi(35)=0.999999999995 zeta(36)=0
Stats: nr=38 min=1 max=326 sum3=149796164
Safeguard: keep additional 1 states
Emax=10.0145595123 nrkept=760 nrkeptmult=1922 
Total energy=-3.88744395504  Egs=-1.31095887371
Kept: 760 out of 3008, ratio=0.253
Memory used: 15 MB  Time elapsed: 75 s

 ***** [NRG] Iteration 37/67 (scale 3.8915231574889735e-06) ***** 
[1] xi(36)=0.999999999998 zeta(37)=0
Stats: nr=34 min=1 max=348 sum3=133484398
Emax=10.0019729395 nrkept=767 nrkeptmult=1924 
Total energy=-3.88744780181  Egs=-0.988497712601
Kept: 767 out of 2872, ratio=0.267
Memory used: 15 MB  Time elapsed: 76 s

 ***** [NRG] Iteration 38/67 (scale 2.7517224138049381e-06) ***** 
[1] xi(37)=0.999999999999 zeta(38)=0
Stats: nr=38 min=1 max=318 sum3=138059114
Safeguard: keep additional 3 states
Emax=10.0126445731 nrkept=721 nrkeptmult=1795 
Total energy=-3.88745162908  Egs=-1.39086481625
Kept: 721 out of 2894, ratio=0.249
Memory used: 15 MB  Time elapsed: 76 s

 ***** [NRG] Iteration 39/67 (scale 1.9457615787444867e-06) ***** 
[1] xi(38)=0.999999999999 zeta(39)=0
Stats: nr=33 min=1 max=332 sum3=115086630
Safeguard: keep additional 1 states
Emax=10.0254020651 nrkept=728 nrkeptmult=1800 
Total energy=-3.8874534277  Egs=-0.924380783569
Kept: 728 out of 2718, ratio=0.268
Memory used: 15 MB  Time elapsed: 77 s

 ***** [NRG] Iteration 40/67 (scale 1.3758612069024691e-06) ***** 
[1] xi(39)=1 zeta(40)=0
Stats: nr=36 min=1 max=304 sum3=122567426
Safeguard: keep additional 1 states
Emax=10.0201678169 nrkept=658 nrkeptmult=1614 
Total energy=-3.88745544214  Egs=-1.46412757656
Kept: 658 out of 2744, ratio=0.24
Memory used: 15 MB  Time elapsed: 77 s

 ***** [NRG] Iteration 41/67 (scale 9.7288078937224336e-07) ***** 
[1] xi(40)=1 zeta(41)=0
Stats: nr=33 min=1 max=311 sum3=91943565
Safeguard: keep additional 1 states
Emax=10.014056016 nrkept=690 nrkeptmult=1694 
Total energy=-3.88745629351  Egs=-0.875098406803
Kept: 690 out of 2481, ratio=0.278
Memory used: 16 MB  Time elapsed: 77 s

 ***** [NRG] Iteration 42/67 (scale 6.8793060345123453e-07) ***** 
[1] xi(41)=1 zeta(42)=0
Stats: nr=36 min=1 max=287 sum3=105360776
Safeguard: keep additional 1 states
Emax=10.0066934319 nrkept=604 nrkeptmult=1452 
Total energy=-3.88745733953  Egs=-1.52053904741
Kept: 604 out of 2600, ratio=0.232
Memory used: 16 MB  Time elapsed: 78 s

 ***** [NRG] Iteration 43/67 (scale 4.8644039468612168e-07) ***** 
[1] xi(42)=1 zeta(43)=0
Stats: nr=33 min=1 max=291 sum3=72888674
Safeguard: keep additional 3 states
Emax=10.0205313804 nrkept=619 nrkeptmult=1500 
Total energy=-3.88745774941  Egs=-0.842614819513
Kept: 619 out of 2270, ratio=0.273
Memory used: 16 MB  Time elapsed: 78 s

 ***** [NRG] Iteration 44/67 (scale 3.4396530172561726e-07) ***** 
[1] xi(43)=1 zeta(44)=0
Stats: nr=36 min=1 max=260 sum3=76488430
Emax=10.0012060625 nrkept=546 nrkeptmult=1294 
Total energy=-3.88745828514  Egs=-1.55748993666
Kept: 546 out of 2326, ratio=0.235
Memory used: 17 MB  Time elapsed: 78 s

 ***** [NRG] Iteration 45/67 (scale 2.4322019734306084e-07) ***** 
[1] xi(44)=1 zeta(45)=0
Stats: nr=33 min=1 max=267 sum3=55505457
Emax=10.0630219899 nrkept=570 nrkeptmult=1334 
Total energy=-3.88745848544  Egs=-0.823525429974
Kept: 570 out of 2049, ratio=0.278
Memory used: 17 MB  Time elapsed: 79 s

 ***** [NRG] Iteration 46/67 (scale 1.7198265086280863e-07) ***** 
[1] xi(45)=1 zeta(46)=0
Stats: nr=34 min=1 max=245 sum3=62091594
Emax=10.0092239322 nrkept=512 nrkeptmult=1190 
Total energy=-3.887458757  Egs=-1.57901328285
Kept: 512 out of 2136, ratio=0.24
Memory used: 17 MB  Time elapsed: 79 s

 ***** [NRG] Iteration 47/67 (scale 1.2161009867153042e-07) ***** 
[1] xi(46)=1 zeta(47)=0
Stats: nr=33 min=1 max=251 sum3=45594660
Emax=10.3405717283 nrkept=567 nrkeptmult=1322 
Total energy=-3.88745885588  Egs=-0.813094880635
Kept: 567 out of 1914, ratio=0.296
Memory used: 17 MB  Time elapsed: 79 s

 ***** [NRG] Iteration 48/67 (scale 8.5991325431404316e-08) ***** 
[1] xi(47)=1 zeta(48)=0
Stats: nr=34 min=1 max=244 sum3=61218744
Safeguard: keep additional 1 states
Emax=10.1342640882 nrkept=499 nrkeptmult=1149 
Total energy=-3.88745899266  Egs=-1.59068527984
Kept: 499 out of 2124, ratio=0.235
Memory used: 17 MB  Time elapsed: 79 s

 ***** [NRG] Iteration 49/67 (scale 6.080504933576521e-08) ***** 
[1] xi(48)=1 zeta(49)=0
Stats: nr=33 min=1 max=245 sum3=42367736
Emax=10.6395840186 nrkept=567 nrkeptmult=1322 
Total energy=-3.88745904177  Egs=-0.807629170586
Kept: 567 out of 1862, ratio=0.305
Memory used: 17 MB  Time elapsed: 79 s

 ***** [NRG] Iteration 50/67 (scale 4.2995662715702158e-08) ***** 
[1] xi(49)=1 zeta(50)=0
Stats: nr=34 min=1 max=244 sum3=61218744
Safeguard: keep additional 1 states
Emax=10.3624884346 nrkept=499 nrkeptmult=1149 
Total energy=-3.88745911043  Egs=-1.59677062043
Kept: 499 out of 2124, ratio=0.235
Memory used: 17 MB  Time elapsed: 80 s

 ***** [NRG] Iteration 51/67 (scale 3.0402524667882605e-08) ***** 
[1] xi(50)=1 zeta(51)=0
Stats: nr=33 min=1 max=245 sum3=42367736
Emax=10.7384312554 nrkept=567 nrkeptmult=1322 
Total energy=-3.88745913489  Egs=-0.804829388225
Kept: 567 out of 1862, ratio=0.305
Memory used: 17 MB  Time elapsed: 80 s

 ***** [NRG] Iteration 52/67 (scale 2.1497831357851079e-08) ***** 
[1] xi(51)=1 zeta(52)=0
Stats: nr=34 min=1 max=244 sum3=61218744
Safeguard: keep additional 1 states
Emax=10.4913562743 nrkept=499 nrkeptmult=1149 
Total energy=-3.88745916929  Egs=-1.59987856945
Kept: 499 out of 2124, ratio=0.235
Memory used: 17 MB  Time elapsed: 80 s

 ***** [NRG] Iteration 53/67 (scale 1.5201262333941303e-08) ***** 
[1] xi(52)=1 zeta(53)=0
Stats: nr=33 min=1 max=245 sum3=42367736
Emax=10.7899652621 nrkept=567 nrkeptmult=1322 
Total energy=-3.8874591815  Egs=-0.803412167324
Kept: 567 out of 1862, ratio=0.305
Memory used: 17 MB  Time elapsed: 80 s

 ***** [NRG] Iteration 54/67 (scale 1.0748915678925539e-08) ***** 
[1] xi(53)=1 zeta(54)=0
Stats: nr=34 min=1 max=244 sum3=61218744
Emax=10.5113392957 nrkept=498 nrkeptmult=1142 
Total energy=-3.88745919872  Egs=-1.60144924623
Kept: 498 out of 2124, ratio=0.234
Memory used: 17 MB  Time elapsed: 80 s

 ***** [NRG] Iteration 55/67 (scale 7.6006311669706513e-09) ***** 
[1] xi(54)=1 zeta(55)=0
Stats: nr=33 min=1 max=246 sum3=42402345
Emax=10.8159742975 nrkept=567 nrkeptmult=1322 
Total energy=-3.88745920482  Egs=-0.802699145437
Kept: 567 out of 1857, ratio=0.305
Memory used: 17 MB  Time elapsed: 81 s

 ***** [NRG] Iteration 56/67 (scale 5.3744578394627697e-09) ***** 
[1] xi(55)=1 zeta(56)=0
Stats: nr=34 min=1 max=244 sum3=61218744
Emax=10.5186809976 nrkept=498 nrkeptmult=1142 
Total energy=-3.88745921343  Egs=-1.60223880895
Kept: 498 out of 2124, ratio=0.234
Memory used: 17 MB  Time elapsed: 81 s

 ***** [NRG] Iteration 57/67 (scale 3.8003155834853256e-09) ***** 
[1] xi(56)=1 zeta(57)=0
Stats: nr=33 min=1 max=246 sum3=42402345
Emax=10.8287674447 nrkept=567 nrkeptmult=1322 
Total energy=-3.88745921648  Egs=-0.80234152146
Kept: 567 out of 1857, ratio=0.305
Memory used: 17 MB  Time elapsed: 81 s

 ***** [NRG] Iteration 58/67 (scale 2.6872289197313849e-09) ***** 
[1] xi(57)=1 zeta(58)=0
Stats: nr=34 min=1 max=244 sum3=61218744
Emax=10.5223698821 nrkept=498 nrkeptmult=1142 
Total energy=-3.88745922078  Egs=-1.60263465256
Kept: 498 out of 2124, ratio=0.234
Memory used: 17 MB  Time elapsed: 81 s

 ***** [NRG] Iteration 59/67 (scale 1.9001577917426628e-09) ***** 
[1] xi(58)=1 zeta(59)=0
Stats: nr=33 min=1 max=246 sum3=42402345
Emax=10.8334108693 nrkept=567 nrkeptmult=1324 
Total energy=-3.88745922231  Egs=-0.802162429927
Kept: 567 out of 1857, ratio=0.305
Memory used: 18 MB  Time elapsed: 81 s

 ***** [NRG] Iteration 60/67 (scale 1.3436144598656924e-09) ***** 
[1] xi(59)=1 zeta(60)=0
Stats: nr=34 min=1 max=243 sum3=60833952
Emax=10.5242306988 nrkept=498 nrkeptmult=1142 
Total energy=-3.88745922446  Egs=-1.60283284069
Kept: 498 out of 2124, ratio=0.234
Memory used: 18 MB  Time elapsed: 82 s

 ***** [NRG] Iteration 61/67 (scale 9.5007889587133141e-10) ***** 
[1] xi(60)=1 zeta(61)=0
Stats: nr=33 min=1 max=246 sum3=42402345
Emax=10.8355299744 nrkept=567 nrkeptmult=1324 
Total energy=-3.88745922522  Egs=-0.802072814113
Kept: 567 out of 1857, ratio=0.305
Memory used: 18 MB  Time elapsed: 82 s

 ***** [NRG] Iteration 62/67 (scale 6.7180722993284622e-10) ***** 
[1] xi(61)=1 zeta(62)=0
Stats: nr=34 min=1 max=243 sum3=60833952
Emax=10.5251568883 nrkept=498 nrkeptmult=1142 
Total energy=-3.8874592263  Egs=-1.60293200144
Kept: 498 out of 2124, ratio=0.234
Memory used: 18 MB  Time elapsed: 82 s

 ***** [NRG] Iteration 63/67 (scale 4.750394479356657e-10) ***** 
[1] xi(62)=1 zeta(63)=0
Stats: nr=33 min=1 max=246 sum3=42402345
Emax=10.8365883779 nrkept=567 nrkeptmult=1324 
Total energy=-3.88745922668  Egs=-0.802027988674
Kept: 567 out of 1857, ratio=0.305
Memory used: 18 MB  Time elapsed: 82 s

 ***** [NRG] Iteration 64/67 (scale 3.3590361496642311e-10) ***** 
[1] xi(63)=1 zeta(64)=0
Stats: nr=34 min=1 max=243 sum3=60833952
Emax=10.5256202842 nrkept=498 nrkeptmult=1142 
Total energy=-3.88745922722  Egs=-1.60298159849
Kept: 498 out of 2124, ratio=0.234
Memory used: 18 MB  Time elapsed: 82 s

 ***** [NRG] Iteration 65/67 (scale 2.3751972396783285e-10) ***** 
[1] xi(64)=1 zeta(65)=0
Stats: nr=33 min=1 max=246 sum3=42402345
Emax=10.8371172849 nrkept=567 nrkeptmult=1324 
Total energy=-3.88745922741  Egs=-0.80200557157
Kept: 567 out of 1857, ratio=0.305
Memory used: 18 MB  Time elapsed: 82 s

 ***** [NRG] Iteration 66/67 (scale 1.6795180748321155e-10) ***** 
[1] xi(65)=1 zeta(66)=0
Stats: nr=34 min=1 max=243 sum3=60833952
Emax=10.5258520576 nrkept=498 nrkeptmult=1142 
Total energy=-3.88745922768  Egs=-1.60300640119
Kept: 498 out of 2124, ratio=0.234
Memory used: 18 MB  Time elapsed: 83 s

 ***** [NRG] Iteration 67/67 (scale 1.1875986198391643e-10) ***** 
[1] xi(66)=1 zeta(67)=0
Stats: nr=33 min=1 max=246 sum3=42402345
Emax=10.8373816653 nrkept=567 nrkeptmult=1324 
Total energy=-3.88745922777  Egs=-0.801994361922
Kept: 567 out of 1857, ratio=0.305
Memory used: 18 MB  Time elapsed: 83 s

** Iteration completed.


Total energy:             -3.887459227774728
TKW=1.1504763968e-06
Grand canonical Z=               13.4325433067395
Zft (last shell)=               13.41827809654419

Memory usage report
===================
  after diag: 65448 kB
after recalc: 23732 kB
 after split: 87076 kB
  after trim: 18876 kB
 after trunc: 65632 kB
      diag_h: 65448 kB

Peak usage: 87076 kB

Timing report
=============
         All: 83 s
        diag: 82 s
       Other: 1 s
