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 20:34:53

No MPI: single node calculation.

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=10000
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=n_d^2 n_a^2 SaSd
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: 	../dqd.m	 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=	0.25
>>  ops=	n_d^2 n_a^2 SaSd
V7
>>  Number of channels, impurities, subspaces: 
channels=1 impurities=2 subspaces=10
Reading <||||> (e)
Reading <||n_d^2||> (s)
Reading <||n_a^2||> (s)
Reading <||SaSd||> (s)
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=10000 keepenergy=10 Nmax=67 channels=1 dots=2 betabar=1

Number of invariant subspaces: 10
(-3 1) 1 states
0.0359658866504 
(-2 2) 3 states
0.0183328429293 0.0330515617535 0.0506846054746 
(-1 1) 6 states
0.00144823999534 0.0183328429293 0.0316033217582 0.0359658866504 0.0506846054746 0.066103123507 
(-1 3) 3 states
0.0154185180324 0.0330515617535 0.0477702805777 
(0 2) 8 states
0 0.0154185180324 0.0183328429293 0.0330515617535 0.0344998017489 0.0477702805777 0.0506846054746 0.0646548835117 
(0 4) 1 states
0.0301372368566 
(1 1) 6 states
0.00144823999534 0.0183328429293 0.0316033217582 0.0359658866504 0.0506846054746 0.066103123507 
(1 3) 3 states
0.0154185180324 0.0330515617535 0.0477702805777 
(2 2) 3 states
0.0183328429293 0.0330515617535 0.0506846054746 
(3 1) 1 states
0.0359658866504 
Number of states (multiplicity taken into account): 64

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

Computing the following spectra:

Before NRG iteration (N=-1)
<SaSd>=1.53490683971e-13
<n_a^2>=1.49927145081
<n_d^2>=1.49927145081

 ***** [NRG] Iteration 1/67 (scale 1.2131570881878404) ***** 
[1] xi(0)=0.473132378817 zeta(1)=0
Stats: nr=15 min=1 max=20 sum3=30066
Emax=1.90294649776 nrkept=126 nrkeptmult=256 
Total energy=-1.1492865161  Egs=-0.904731281993
Kept: 126 out of 126, ratio=1
<SaSd>=8.30534873587e-13
<n_a^2>=1.49896971919
<n_d^2>=1.49896971919
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 2/67 (scale 0.85783160370214839) ***** 
[1] xi(1)=0.631518937152 zeta(2)=0
Stats: nr=21 min=1 max=75 sum3=1007202
Emax=3.77339950018 nrkept=462 nrkeptmult=1024 
Total energy=-1.61347067233  Egs=-0.541113377287
Kept: 462 out of 462, ratio=1
<SaSd>=4.51395132959e-12
<n_a^2>=1.49854308336
<n_d^2>=1.49854308336
Memory used: 5 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 3/67 (scale 0.6065785440939202) ***** 
[1] xi(2)=0.974788923894 zeta(3)=0
Stats: nr=28 min=1 max=210 sum3=37226316
Emax=8.49612060766 nrkept=1716 nrkeptmult=4096 
Total energy=-2.57178223432  Egs=-1.57986392912
Kept: 1716 out of 1716, ratio=1
<SaSd>=2.36599916233e-11
<n_a^2>=1.49793993081
<n_d^2>=1.49793993081
Memory used: 19 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 4/67 (scale 0.4289158018510742) ***** 
[1] xi(3)=1.2027371305 zeta(4)=0
Stats: nr=36 min=1 max=784 sum3=1484039727
Safeguard: keep additional 1 states
Emax=10.3166021462 nrkept=5506 nrkeptmult=14150 
Total energy=-3.05895460887  Egs=-1.13582286417
Kept: 5506 out of 6435, ratio=0.856
<SaSd>=9.46498554826e-08
<n_a^2>=1.49708729437
<n_d^2>=1.49708729437
Memory used: 95 MB  Time elapsed: 6 s

 ***** [NRG] Iteration 5/67 (scale 0.3032892720469601) ***** 
[1] xi(4)=1.12253968187 zeta(5)=0
Stats: nr=45 min=1 max=1986 sum3=24724904934
Safeguard: keep additional 2 states
Emax=10.339261472 nrkept=8427 nrkeptmult=22457 
Total energy=-3.55043260036  Egs=-1.62049250269
Kept: 8427 out of 20820, ratio=0.405
<SaSd>=4.36556434552e-07
<n_a^2>=1.49588208188
<n_d^2>=1.49588208188
Memory used: 189 MB  Time elapsed: 105 s

 ***** [NRG] Iteration 6/67 (scale 0.2144579009255371) ***** 
[1] xi(5)=1.03243378845 zeta(6)=0
Stats: nr=52 min=2 max=3145 sum3=26609007671
Safeguard: keep additional 5 states
Emax=10.0293871634 nrkept=8427 nrkeptmult=22174 
Total energy=-3.74471713569  Egs=-0.905933213398
Kept: 8427 out of 31995, ratio=0.263
<SaSd>=-1.47379496499e-06
<n_a^2>=1.49417202129
<n_d^2>=1.49417202129
Memory used: 202 MB  Time elapsed: 439 s

 ***** [NRG] Iteration 7/67 (scale 0.15164463602348005) ***** 
[1] xi(6)=1.00829687067 zeta(7)=0
Stats: nr=55 min=1 max=3009 sum3=33896139274
Safeguard: keep additional 7 states
Emax=10.0000130051 nrkept=7626 nrkeptmult=20172 
Total energy=-3.97247321542  Egs=-1.50190660019
Kept: 7626 out of 31958, ratio=0.239
<SaSd>=3.87273922867e-09
<n_a^2>=1.4917330512
<n_d^2>=1.4917330512
Memory used: 172 MB  Time elapsed: 756 s

 ***** [NRG] Iteration 8/67 (scale 0.10722895046276855) ***** 
[1] xi(7)=1.00300214986 zeta(8)=0
Stats: nr=52 min=1 max=2926 sum3=26040299582
Safeguard: keep additional 1 states
Emax=10.033588533 nrkept=7743 nrkeptmult=20422 
Total energy=-4.06960554229  Egs=-0.90584050716
Kept: 7743 out of 28950, ratio=0.267
<SaSd>=-5.3013312822e-07
<n_a^2>=1.48833718623
<n_d^2>=1.48833718623
Memory used: 176 MB  Time elapsed: 1026 s

 ***** [NRG] Iteration 9/67 (scale 0.075822318011740025) ***** 
[1] xi(8)=1.00131950393 zeta(9)=0
Stats: nr=55 min=1 max=2772 sum3=26923648018
Safeguard: keep additional 3 states
Emax=10.001311966 nrkept=6040 nrkeptmult=15836 
Total energy=-4.18087359253  Egs=-1.46748415455
Kept: 6040 out of 29382, ratio=0.206
<SaSd>=-2.06049897746e-07
<n_a^2>=1.48353070537
<n_d^2>=1.48353070537
Memory used: 121 MB  Time elapsed: 1298 s

 ***** [NRG] Iteration 10/67 (scale 0.053614475231384275) ***** 
[1] xi(9)=1.00062206904 zeta(10)=0
Stats: nr=52 min=1 max=2345 sum3=26462867889
Emax=10.0247069873 nrkept=6878 nrkeptmult=18004 
Total energy=-4.23064250257  Egs=-0.928273751227
Kept: 6878 out of 22871, ratio=0.301
<SaSd>=-2.52129474026e-06
<n_a^2>=1.47684221004
<n_d^2>=1.47684221004
Memory used: 147 MB  Time elapsed: 1425 s

 ***** [NRG] Iteration 11/67 (scale 0.037911159005870013) ***** 
[1] xi(10)=1.00030223414 zeta(11)=0
Stats: nr=53 min=1 max=2479 sum3=28648969376
Safeguard: keep additional 7 states
Emax=10.0006522964 nrkept=5932 nrkeptmult=15584 
Total energy=-4.28506409634  Egs=-1.4355032977
Kept: 5932 out of 26070, ratio=0.228
<SaSd>=8.82040618342e-06
<n_a^2>=1.4675064152
<n_d^2>=1.4675064152
Memory used: 115 MB  Time elapsed: 1627 s

 ***** [NRG] Iteration 12/67 (scale 0.026807237615692137) ***** 
[1] xi(11)=1.00014898132 zeta(12)=0
Stats: nr=52 min=1 max=2303 sum3=28158196161
Safeguard: keep additional 3 states
Emax=10.0154027624 nrkept=6197 nrkeptmult=16256 
Total energy=-4.31058873523  Egs=-0.952154759666
Kept: 6197 out of 22483, ratio=0.276
<SaSd>=1.11343122957e-05
<n_a^2>=1.45433804664
<n_d^2>=1.45433804664
Memory used: 122 MB  Time elapsed: 1763 s

 ***** [NRG] Iteration 13/67 (scale 0.018955579502935006) ***** 
[1] xi(12)=1.00007396421 zeta(13)=0
Stats: nr=51 min=1 max=2246 sum3=27144848934
Safeguard: keep additional 3 states
Emax=10.0036651733 nrkept=5818 nrkeptmult=15204 
Total energy=-4.33723796664  Egs=-1.40587795807
Kept: 5818 out of 23490, ratio=0.248
<SaSd>=8.10171106672e-06
<n_a^2>=1.43646623242
<n_d^2>=1.43646623242
Memory used: 113 MB  Time elapsed: 1931 s

 ***** [NRG] Iteration 14/67 (scale 0.013403618807846069) ***** 
[1] xi(13)=1.0000368514 zeta(14)=0
Stats: nr=52 min=1 max=2263 sum3=25695805371
Safeguard: keep additional 1 states
Emax=10.0021083634 nrkept=5759 nrkeptmult=15014 
Total energy=-4.35027872998  Egs=-0.972928544821
Kept: 5759 out of 22039, ratio=0.261
<SaSd>=3.24982118549e-06
<n_a^2>=1.41169241492
<n_d^2>=1.41169241492
Memory used: 116 MB  Time elapsed: 2101 s

 ***** [NRG] Iteration 15/67 (scale 0.0094777897514675032) ***** 
[1] xi(14)=1.00001839314 zeta(15)=0
Stats: nr=49 min=1 max=2100 sum3=17527707514
Safeguard: keep additional 1 states
Emax=10.0034118383 nrkept=5268 nrkeptmult=13848 
Total energy=-4.36336617028  Egs=-1.38085362135
Kept: 5268 out of 21826, ratio=0.241
<SaSd>=6.7611036705e-05
<n_a^2>=1.37872289262
<n_d^2>=1.37872289262
Memory used: 102 MB  Time elapsed: 2270 s

 ***** [NRG] Iteration 16/67 (scale 0.0067018094039230343) ***** 
[1] xi(15)=1.00000918844 zeta(16)=0
Stats: nr=50 min=1 max=2067 sum3=15451340807
Safeguard: keep additional 1 states
Emax=10.0010210991 nrkept=4931 nrkeptmult=12846 
Total energy=-4.36999555136  Egs=-0.989192720635
Kept: 4931 out of 19959, ratio=0.247
<SaSd>=0.000177145621104
<n_a^2>=1.33608825994
<n_d^2>=1.33608825994
Memory used: 97 MB  Time elapsed: 2397 s

 ***** [NRG] Iteration 17/67 (scale 0.0047388948757337516) ***** 
[1] xi(16)=1.00000459219 zeta(17)=0
Stats: nr=43 min=1 max=1824 sum3=15047823564
Safeguard: keep additional 1 states
Emax=10.0040368364 nrkept=4395 nrkeptmult=11561 
Total energy=-4.37644150415  Egs=-1.36022278684
Kept: 4395 out of 18684, ratio=0.235
<SaSd>=0.000458353796581
<n_a^2>=1.28392278948
<n_d^2>=1.28392278948
Memory used: 89 MB  Time elapsed: 2506 s

 ***** [NRG] Iteration 18/67 (scale 0.0033509047019615172) ***** 
[1] xi(17)=1.00000229559 zeta(18)=0
Stats: nr=50 min=1 max=1760 sum3=15438978275
Safeguard: keep additional 2 states
Emax=10.0000167533 nrkept=4018 nrkeptmult=10494 
Total energy=-4.37980221417  Egs=-1.00292616779
Kept: 4018 out of 16665, ratio=0.241
<SaSd>=0.00119353407176
<n_a^2>=1.22574812465
<n_d^2>=1.22574812465
Memory used: 78 MB  Time elapsed: 2587 s

 ***** [NRG] Iteration 19/67 (scale 0.0023694474378668758) ***** 
[1] xi(18)=1.00000114767 zeta(19)=0
Stats: nr=43 min=1 max=1503 sum3=15447822184
Safeguard: keep additional 1 states
Emax=10.0033131828 nrkept=3240 nrkeptmult=8630 
Total energy=-4.38298017203  Egs=-1.34122319554
Kept: 3240 out of 15220, ratio=0.213
<SaSd>=0.00276335717514
<n_a^2>=1.16921114899
<n_d^2>=1.16921114899
Memory used: 68 MB  Time elapsed: 2648 s

 ***** [NRG] Iteration 20/67 (scale 0.0016754523509807586) ***** 
[1] xi(19)=1.0000005738 zeta(20)=0
Stats: nr=48 min=1 max=1316 sum3=8178323353
Safeguard: keep additional 1 states
Emax=10.0008488424 nrkept=2893 nrkeptmult=7728 
Total energy=-4.38468493704  Egs=-1.01749537306
Kept: 2893 out of 12301, ratio=0.235
<SaSd>=0.00567301220121
<n_a^2>=1.12455336194
<n_d^2>=1.12455336194
Memory used: 56 MB  Time elapsed: 2682 s

 ***** [NRG] Iteration 21/67 (scale 0.0011847237189334379) ***** 
[1] xi(20)=1.00000028689 zeta(21)=0
Stats: nr=41 min=1 max=1113 sum3=5978110100
Safeguard: keep additional 2 states
Emax=10.0025309453 nrkept=2197 nrkeptmult=6005 
Total energy=-4.38624980386  Egs=-1.3208706738
Kept: 2197 out of 10982, ratio=0.2
<SaSd>=0.0105537586395
<n_a^2>=1.09717081059
<n_d^2>=1.09717081059
Memory used: 49 MB  Time elapsed: 2710 s

 ***** [NRG] Iteration 22/67 (scale 0.00083772617549037929) ***** 
[1] xi(21)=1.00000014344 zeta(22)=0
Stats: nr=46 min=1 max=903 sum3=2684155931
Safeguard: keep additional 2 states
Emax=10.0054362195 nrkept=1952 nrkeptmult=5370 
Total energy=-4.38711698982  Egs=-1.03516636161
Kept: 1952 out of 8363, ratio=0.233
<SaSd>=0.0175690907709
<n_a^2>=1.08484202219
<n_d^2>=1.08484202219
Memory used: 44 MB  Time elapsed: 2723 s

 ***** [NRG] Iteration 23/67 (scale 0.00059236185946671895) ***** 
[1] xi(22)=1.00000007172 zeta(23)=0
Stats: nr=41 min=1 max=785 sum3=1928837182
Safeguard: keep additional 2 states
Emax=10.0055544723 nrkept=1637 nrkeptmult=4639 
Total energy=-4.38788556489  Egs=-1.29747562254
Kept: 1637 out of 7438, ratio=0.22
<SaSd>=0.0273939398215
<n_a^2>=1.08059043075
<n_d^2>=1.08059043075
Memory used: 39 MB  Time elapsed: 2732 s

 ***** [NRG] Iteration 24/67 (scale 0.00041886308774518965) ***** 
[1] xi(23)=1.00000003586 zeta(24)=0
Stats: nr=46 min=1 max=665 sum3=1111010539
Safeguard: keep additional 1 states
Emax=10.0168415338 nrkept=1535 nrkeptmult=4338 
Total energy=-4.38832822376  Egs=-1.05681041658
Kept: 1535 out of 6259, ratio=0.245
<SaSd>=0.0408452678437
<n_a^2>=1.07946573368
<n_d^2>=1.07946573368
Memory used: 38 MB  Time elapsed: 2737 s

 ***** [NRG] Iteration 25/67 (scale 0.00029618092973335947) ***** 
[1] xi(24)=1.00000001793 zeta(25)=0
Stats: nr=41 min=1 max=632 sum3=947827490
Safeguard: keep additional 2 states
Emax=10.0049343863 nrkept=1460 nrkeptmult=4194 
Total energy=-4.38870448794  Egs=-1.27038623833
Kept: 1460 out of 5876, ratio=0.248
<SaSd>=0.0585565033224
<n_a^2>=1.07939133238
<n_d^2>=1.07939133238
Memory used: 38 MB  Time elapsed: 2744 s

 ***** [NRG] Iteration 26/67 (scale 0.00020943154387259482) ***** 
[1] xi(25)=1.00000000897 zeta(26)=0
Stats: nr=46 min=1 max=589 sum3=782980213
Safeguard: keep additional 2 states
Emax=10.0028035601 nrkept=1431 nrkeptmult=4050 
Total energy=-4.38893124756  Egs=-1.08273860218
Kept: 1431 out of 5593, ratio=0.256
<SaSd>=0.0812905522601
<n_a^2>=1.07975234561
<n_d^2>=1.07975234561
Memory used: 38 MB  Time elapsed: 2747 s

 ***** [NRG] Iteration 27/67 (scale 0.00014809046486667974) ***** 
[1] xi(26)=1.00000000448 zeta(27)=0
Stats: nr=41 min=1 max=586 sum3=761495764
Safeguard: keep additional 2 states
Emax=10.0000353776 nrkept=1350 nrkeptmult=3896 
Total energy=-4.38911478638  Egs=-1.23936959911
Kept: 1350 out of 5476, ratio=0.247
<SaSd>=0.10874690837
<n_a^2>=1.08032270866
<n_d^2>=1.08032270866
Memory used: 37 MB  Time elapsed: 2751 s

 ***** [NRG] Iteration 28/67 (scale 0.00010471577193629741) ***** 
[1] xi(27)=1.00000000224 zeta(28)=0
Stats: nr=44 min=1 max=545 sum3=626984916
Safeguard: keep additional 1 states
Emax=10.0026856957 nrkept=1376 nrkeptmult=3914 
Total energy=-4.38923135458  Egs=-1.11318665788
Kept: 1376 out of 5172, ratio=0.266
<SaSd>=0.138798257176
<n_a^2>=1.08098731909
<n_d^2>=1.08098731909
Memory used: 38 MB  Time elapsed: 2754 s

 ***** [NRG] Iteration 29/67 (scale 7.4045232433339868e-05) ***** 
[1] xi(28)=1.00000000112 zeta(29)=0
Stats: nr=41 min=1 max=561 sum3=668095326
Safeguard: keep additional 2 states
Emax=10.0021289906 nrkept=1265 nrkeptmult=3683 
Total energy=-4.38932053388  Egs=-1.20438951489
Kept: 1265 out of 5268, ratio=0.24
<SaSd>=0.167707421705
<n_a^2>=1.0816468596
<n_d^2>=1.0816468596
Memory used: 39 MB  Time elapsed: 2757 s

 ***** [NRG] Iteration 30/67 (scale 5.2357885968148706e-05) ***** 
[1] xi(29)=1.00000000056 zeta(30)=0
Stats: nr=44 min=1 max=510 sum3=511989104
Safeguard: keep additional 4 states
Emax=10.0095716403 nrkept=1243 nrkeptmult=3584 
Total energy=-4.38938065842  Egs=-1.14833787639
Kept: 1243 out of 4856, ratio=0.256
<SaSd>=0.190103422573
<n_a^2>=1.08220456283
<n_d^2>=1.08220456283
Memory used: 38 MB  Time elapsed: 2759 s

 ***** [NRG] Iteration 31/67 (scale 3.7022616216669934e-05) ***** 
[1] xi(30)=1.00000000028 zeta(31)=0
Stats: nr=39 min=1 max=507 sum3=490424108
Safeguard: keep additional 3 states
Emax=10.0060899265 nrkept=1123 nrkeptmult=3315 
Total energy=-4.38942381538  Egs=-1.16569164358
Kept: 1123 out of 4766, ratio=0.236
<SaSd>=0.203234490158
<n_a^2>=1.08260388519
<n_d^2>=1.08260388519
Memory used: 39 MB  Time elapsed: 2761 s

 ***** [NRG] Iteration 32/67 (scale 2.6178942984074353e-05) ***** 
[1] xi(31)=1.00000000014 zeta(32)=0
Stats: nr=44 min=1 max=442 sum3=350703588
Safeguard: keep additional 1 states
Emax=10.0010423081 nrkept=1062 nrkeptmult=3158 
Total energy=-4.3894549192  Egs=-1.18812355719
Kept: 1062 out of 4314, ratio=0.246
<SaSd>=0.208212520789
<n_a^2>=1.08285468564
<n_d^2>=1.08285468564
Memory used: 39 MB  Time elapsed: 2763 s

 ***** [NRG] Iteration 33/67 (scale 1.8511308108334967e-05) ***** 
[1] xi(32)=1.00000000007 zeta(33)=0
Stats: nr=39 min=1 max=432 sum3=296671840
Safeguard: keep additional 2 states
Emax=10.0090389261 nrkept=1015 nrkeptmult=3039 
Total energy=-4.38947572607  Egs=-1.12400856377
Kept: 1015 out of 4084, ratio=0.249
<SaSd>=0.209298997587
<n_a^2>=1.08301843688
<n_d^2>=1.08301843688
Memory used: 42 MB  Time elapsed: 2764 s

 ***** [NRG] Iteration 34/67 (scale 1.3089471492037176e-05) ***** 
[1] xi(33)=1.00000000004 zeta(34)=0
Stats: nr=44 min=1 max=387 sum3=255817912
Safeguard: keep additional 2 states
Emax=10.0062193209 nrkept=978 nrkeptmult=2952 
Total energy=-4.38949185141  Egs=-1.23193211455
Kept: 978 out of 3910, ratio=0.25
<SaSd>=0.209325884072
<n_a^2>=1.08313986358
<n_d^2>=1.08313986358
Memory used: 41 MB  Time elapsed: 2766 s

 ***** [NRG] Iteration 35/67 (scale 9.2556540541674836e-06) ***** 
[1] xi(34)=1.00000000002 zeta(35)=0
Stats: nr=39 min=1 max=397 sum3=227669804
Safeguard: keep additional 1 states
Emax=10.0226927747 nrkept=1004 nrkeptmult=3004 
Total energy=-4.38950185435  Egs=-1.08073918079
Kept: 1004 out of 3770, ratio=0.266
<SaSd>=0.209279086145
<n_a^2>=1.08323737806
<n_d^2>=1.08323737806
Memory used: 42 MB  Time elapsed: 2767 s

 ***** [NRG] Iteration 36/67 (scale 6.5447357460185882e-06) ***** 
[1] xi(35)=1.00000000001 zeta(36)=0
Stats: nr=44 min=1 max=380 sum3=245652314
Safeguard: keep additional 1 states
Emax=10.0039324751 nrkept=959 nrkeptmult=2874 
Total energy=-4.38951022078  Egs=-1.27834387366
Kept: 959 out of 3866, ratio=0.248
<SaSd>=0.209241575474
<n_a^2>=1.08331554089
<n_d^2>=1.08331554089
Memory used: 42 MB  Time elapsed: 2768 s

 ***** [NRG] Iteration 37/67 (scale 4.6278270270837418e-06) ***** 
[1] xi(36)=1 zeta(37)=0
Stats: nr=38 min=1 max=390 sum3=216430768
Emax=10.0108556052 nrkept=981 nrkeptmult=2893 
Total energy=-4.38951502414  Egs=-1.03793127342
Kept: 981 out of 3694, ratio=0.266
<SaSd>=0.20921200501
<n_a^2>=1.08337715858
<n_d^2>=1.08337715858
Memory used: 42 MB  Time elapsed: 2769 s

 ***** [NRG] Iteration 38/67 (scale 3.2723678730092941e-06) ***** 
[1] xi(37)=1 zeta(38)=0
Stats: nr=44 min=1 max=378 sum3=235072031
Emax=10.0097940664 nrkept=933 nrkeptmult=2758 
Total energy=-4.38951936033  Egs=-1.32509128403
Kept: 933 out of 3773, ratio=0.247
<SaSd>=0.20918908849
<n_a^2>=1.08342491119
<n_d^2>=1.08342491119
Memory used: 42 MB  Time elapsed: 2770 s

 ***** [NRG] Iteration 39/67 (scale 2.3139135135418709e-06) ***** 
[1] xi(38)=1 zeta(39)=0
Stats: nr=38 min=1 max=384 sum3=204437288
Safeguard: keep additional 3 states
Emax=10.002064372 nrkept=966 nrkeptmult=2822 
Total energy=-4.38952166943  Egs=-0.99792056078
Kept: 966 out of 3590, ratio=0.269
<SaSd>=0.209171727362
<n_a^2>=1.08346108774
<n_d^2>=1.08346108774
Memory used: 42 MB  Time elapsed: 2772 s

 ***** [NRG] Iteration 40/67 (scale 1.6361839365046471e-06) ***** 
[1] xi(39)=1 zeta(40)=0
Stats: nr=42 min=1 max=379 sum3=227735567
Safeguard: keep additional 2 states
Emax=10.0048885468 nrkept=901 nrkeptmult=2622 
Total energy=-4.3895239101  Egs=-1.36944789003
Kept: 901 out of 3713, ratio=0.243
<SaSd>=0.209158821877
<n_a^2>=1.0834879798
<n_d^2>=1.0834879798
Memory used: 42 MB  Time elapsed: 2773 s

 ***** [NRG] Iteration 41/67 (scale 1.1569567567709354e-06) ***** 
[1] xi(40)=1 zeta(41)=0
Stats: nr=40 min=1 max=373 sum3=187697694
Safeguard: keep additional 3 states
Emax=10.0006731591 nrkept=945 nrkeptmult=2743 
Total energy=-4.3895250239  Egs=-0.962695141373
Kept: 945 out of 3462, ratio=0.273
<SaSd>=0.20914953274
<n_a^2>=1.08350733623
<n_d^2>=1.08350733623
Memory used: 42 MB  Time elapsed: 2774 s

 ***** [NRG] Iteration 42/67 (scale 8.1809196825232353e-07) ***** 
[1] xi(41)=1 zeta(42)=0
Stats: nr=42 min=1 max=376 sum3=215046917
Safeguard: keep additional 1 states
Emax=10.0112037563 nrkept=873 nrkeptmult=2498 
Total energy=-4.38952617658  Egs=-1.40899030443
Kept: 873 out of 3629, ratio=0.241
<SaSd>=0.209142965722
<n_a^2>=1.0835210204
<n_d^2>=1.0835210204
Memory used: 42 MB  Time elapsed: 2775 s

 ***** [NRG] Iteration 43/67 (scale 5.7847837838546772e-07) ***** 
[1] xi(42)=1 zeta(43)=0
Stats: nr=40 min=1 max=364 sum3=174820556
Safeguard: keep additional 2 states
Emax=10.0125619119 nrkept=917 nrkeptmult=2613 
Total energy=-4.3895267165  Egs=-0.933341577736
Kept: 917 out of 3350, ratio=0.274
<SaSd>=0.209138499827
<n_a^2>=1.08353032631
<n_d^2>=1.08353032631
Memory used: 42 MB  Time elapsed: 2776 s

 ***** [NRG] Iteration 44/67 (scale 4.0904598412616176e-07) ***** 
[1] xi(43)=1 zeta(44)=0
Stats: nr=42 min=1 max=372 sum3=198970466
Safeguard: keep additional 1 states
Emax=10.0209077947 nrkept=854 nrkeptmult=2416 
Total energy=-4.38952730647  Egs=-1.44229869856
Kept: 854 out of 3512, ratio=0.243
<SaSd>=0.209135514137
<n_a^2>=1.08353654781
<n_d^2>=1.08353654781
Memory used: 42 MB  Time elapsed: 2777 s

 ***** [NRG] Iteration 45/67 (scale 2.8923918919273386e-07) ***** 
[1] xi(44)=1 zeta(45)=0
Stats: nr=40 min=1 max=354 sum3=163513212
Safeguard: keep additional 1 states
Emax=10.0173136437 nrkept=896 nrkeptmult=2496 
Total energy=-4.38952756965  Egs=-0.909918195736
Kept: 896 out of 3270, ratio=0.274
<SaSd>=0.209133588002
<n_a^2>=1.08354056144
<n_d^2>=1.08354056144
Memory used: 42 MB  Time elapsed: 2778 s

 ***** [NRG] Iteration 46/67 (scale 2.0452299206308088e-07) ***** 
[1] xi(45)=1 zeta(46)=0
Stats: nr=42 min=1 max=373 sum3=192843491
Safeguard: keep additional 2 states
Emax=10.0367815073 nrkept=837 nrkeptmult=2350 
Total energy=-4.38952787012  Egs=-1.4691509034
Kept: 837 out of 3425, ratio=0.244
<SaSd>=0.209132366976
<n_a^2>=1.08354310578
<n_d^2>=1.08354310578
Memory used: 42 MB  Time elapsed: 2779 s

 ***** [NRG] Iteration 47/67 (scale 1.4461959459636693e-07) ***** 
[1] xi(46)=1 zeta(47)=0
Stats: nr=40 min=1 max=349 sum3=156487452
Emax=10.004612167 nrkept=890 nrkeptmult=2440 
Total energy=-4.38952799909  Egs=-0.891744693537
Kept: 890 out of 3204, ratio=0.278
<SaSd>=0.209131612961
<n_a^2>=1.08354467698
<n_d^2>=1.08354467698
Memory used: 42 MB  Time elapsed: 2780 s

 ***** [NRG] Iteration 48/67 (scale 1.0226149603154044e-07) ***** 
[1] xi(47)=1 zeta(48)=0
Stats: nr=40 min=1 max=373 sum3=191083008
Emax=10.0173295894 nrkept=815 nrkeptmult=2256 
Total energy=-4.38952815148  Egs=-1.49020574825
Kept: 815 out of 3396, ratio=0.24
<SaSd>=0.209131153422
<n_a^2>=1.08354563455
<n_d^2>=1.08354563455
Memory used: 43 MB  Time elapsed: 2781 s

 ***** [NRG] Iteration 49/67 (scale 7.2309797298183465e-08) ***** 
[1] xi(48)=1 zeta(49)=0
Stats: nr=40 min=1 max=341 sum3=147754430
Safeguard: keep additional 2 states
Emax=10.0017749561 nrkept=892 nrkeptmult=2436 
Total energy=-4.38952821495  Egs=-0.877824497881
Kept: 892 out of 3116, ratio=0.286
<SaSd>=0.209130879748
<n_a^2>=1.08354620483
<n_d^2>=1.08354620483
Memory used: 42 MB  Time elapsed: 2781 s

 ***** [NRG] Iteration 50/67 (scale 5.113074801577022e-08) ***** 
[1] xi(49)=1 zeta(50)=0
Stats: nr=40 min=1 max=374 sum3=192351971
Safeguard: keep additional 1 states
Emax=10.0167040733 nrkept=808 nrkeptmult=2230 
Total energy=-4.38952829198  Egs=-1.50651623257
Kept: 808 out of 3401, ratio=0.238
<SaSd>=0.209130716668
<n_a^2>=1.08354654465
<n_d^2>=1.08354654465
Memory used: 43 MB  Time elapsed: 2782 s

 ***** [NRG] Iteration 51/67 (scale 3.6154898649091733e-08) ***** 
[1] xi(50)=1 zeta(51)=0
Stats: nr=40 min=1 max=336 sum3=143251600
Safeguard: keep additional 3 states
Emax=10.000143953 nrkept=900 nrkeptmult=2448 
Total energy=-4.38952832334  Egs=-0.867163144014
Kept: 900 out of 3088, ratio=0.291
<SaSd>=0.20913062175
<n_a^2>=1.08354674244
<n_d^2>=1.08354674244
Memory used: 42 MB  Time elapsed: 2783 s

 ***** [NRG] Iteration 52/67 (scale 2.556537400788511e-08) ***** 
[1] xi(51)=1 zeta(52)=0
Stats: nr=40 min=1 max=378 sum3=196819695
Safeguard: keep additional 1 states
Emax=10.0193266545 nrkept=798 nrkeptmult=2180 
Total energy=-4.38952836217  Egs=-1.51915881304
Kept: 798 out of 3429, ratio=0.233
<SaSd>=0.209130565854
<n_a^2>=1.08354685891
<n_d^2>=1.08354685891
Memory used: 43 MB  Time elapsed: 2784 s

 ***** [NRG] Iteration 53/67 (scale 1.8077449324545866e-08) ***** 
[1] xi(52)=1 zeta(53)=0
Stats: nr=40 min=1 max=334 sum3=140973876
Emax=10.0379975801 nrkept=901 nrkeptmult=2449 
Total energy=-4.3895283777  Egs=-0.858922805579
Kept: 901 out of 3048, ratio=0.296
<SaSd>=0.209130533869
<n_a^2>=1.08354692556
<n_d^2>=1.08354692556
Memory used: 43 MB  Time elapsed: 2785 s

 ***** [NRG] Iteration 54/67 (scale 1.2782687003942555e-08) ***** 
[1] xi(53)=1 zeta(54)=0
Stats: nr=40 min=1 max=379 sum3=197528124
Safeguard: keep additional 1 states
Emax=10.0463481752 nrkept=796 nrkeptmult=2166 
Total energy=-4.38952839725  Egs=-1.52905118836
Kept: 796 out of 3432, ratio=0.232
<SaSd>=0.209130515064
<n_a^2>=1.08354696475
<n_d^2>=1.08354696475
Memory used: 43 MB  Time elapsed: 2786 s

 ***** [NRG] Iteration 55/67 (scale 9.0387246622729332e-09) ***** 
[1] xi(54)=1 zeta(55)=0
Stats: nr=40 min=1 max=336 sum3=141913786
Emax=10.0204768935 nrkept=901 nrkeptmult=2449 
Total energy=-4.38952840495  Egs=-0.852458689608
Kept: 901 out of 3040, ratio=0.296
<SaSd>=0.20913050439
<n_a^2>=1.08354698699
<n_d^2>=1.08354698699
Memory used: 42 MB  Time elapsed: 2787 s

 ***** [NRG] Iteration 56/67 (scale 6.3913435019712775e-09) ***** 
[1] xi(55)=1 zeta(56)=0
Stats: nr=40 min=1 max=379 sum3=197528124
Safeguard: keep additional 1 states
Emax=10.0027275364 nrkept=796 nrkeptmult=2166 
Total energy=-4.38952841477  Egs=-1.53690574689
Kept: 796 out of 3432, ratio=0.232
<SaSd>=0.209130498098
<n_a^2>=1.0835470001
<n_d^2>=1.0835470001
Memory used: 43 MB  Time elapsed: 2788 s

 ***** [NRG] Iteration 57/67 (scale 4.5193623311364666e-09) ***** 
[1] xi(56)=1 zeta(57)=0
Stats: nr=40 min=1 max=336 sum3=141913786
Emax=10.0040209975 nrkept=901 nrkeptmult=2449 
Total energy=-4.3895284186  Egs=-0.847298262106
Kept: 901 out of 3040, ratio=0.296
<SaSd>=0.209130494528
<n_a^2>=1.08354700754
<n_d^2>=1.08354700754
Memory used: 42 MB  Time elapsed: 2789 s

 ***** [NRG] Iteration 58/67 (scale 3.1956717509856388e-09) ***** 
[1] xi(57)=1 zeta(58)=0
Stats: nr=40 min=1 max=379 sum3=197528124
Safeguard: keep additional 1 states
Emax=10.021677993 nrkept=804 nrkeptmult=2174 
Total energy=-4.38952842354  Egs=-1.54324881589
Kept: 804 out of 3432, ratio=0.234
<SaSd>=0.209130492412
<n_a^2>=1.08354701195
<n_d^2>=1.08354701195
Memory used: 43 MB  Time elapsed: 2790 s

 ***** [NRG] Iteration 59/67 (scale 2.2596811655682333e-09) ***** 
[1] xi(58)=1 zeta(59)=0
Stats: nr=40 min=1 max=336 sum3=144834322
Safeguard: keep additional 1 states
Emax=10.0038586299 nrkept=912 nrkeptmult=2468 
Total energy=-4.38952842544  Egs=-0.843103346818
Kept: 912 out of 3064, ratio=0.298
<SaSd>=0.209130491208
<n_a^2>=1.08354701446
<n_d^2>=1.08354701446
Memory used: 43 MB  Time elapsed: 2791 s

 ***** [NRG] Iteration 60/67 (scale 1.5978358754928194e-09) ***** 
[1] xi(59)=1 zeta(60)=0
Stats: nr=40 min=1 max=386 sum3=205659143
Safeguard: keep additional 1 states
Emax=10.0090395011 nrkept=804 nrkeptmult=2174 
Total energy=-4.38952842791  Egs=-1.54846026477
Kept: 804 out of 3473, ratio=0.232
<SaSd>=0.209130490489
<n_a^2>=1.08354701595
<n_d^2>=1.08354701595
Memory used: 44 MB  Time elapsed: 2792 s

 ***** [NRG] Iteration 61/67 (scale 1.1298405827841166e-09) ***** 
[1] xi(60)=1 zeta(61)=0
Stats: nr=40 min=1 max=336 sum3=144834322
Safeguard: keep additional 2 states
Emax=10.0010942328 nrkept=922 nrkeptmult=2488 
Total energy=-4.38952842886  Egs=-0.839633728192
Kept: 922 out of 3064, ratio=0.301
<SaSd>=0.209130490078
<n_a^2>=1.08354701681
<n_d^2>=1.08354701681
Memory used: 43 MB  Time elapsed: 2794 s

 ***** [NRG] Iteration 62/67 (scale 7.9891793774640969e-10) ***** 
[1] xi(61)=1 zeta(62)=0
Stats: nr=40 min=1 max=392 sum3=213807179
Emax=10.0410136468 nrkept=805 nrkeptmult=2176 
Total energy=-4.3895284301  Egs=-1.55281235312
Kept: 805 out of 3509, ratio=0.229
<SaSd>=0.20913048983
<n_a^2>=1.08354701733
<n_d^2>=1.08354701733
Memory used: 44 MB  Time elapsed: 2795 s

 ***** [NRG] Iteration 63/67 (scale 5.6492029139205832e-10) ***** 
[1] xi(62)=1 zeta(63)=0
Stats: nr=40 min=1 max=337 sum3=145863974
Emax=10.0040129801 nrkept=923 nrkeptmult=2491 
Total energy=-4.38952843058  Egs=-0.836718236908
Kept: 923 out of 3068, ratio=0.301
<SaSd>=0.209130489687
<n_a^2>=1.08354701763
<n_d^2>=1.08354701763
Memory used: 43 MB  Time elapsed: 2795 s

 ***** [NRG] Iteration 64/67 (scale 3.9945896887320485e-10) ***** 
[1] xi(63)=1 zeta(64)=0
Stats: nr=40 min=1 max=393 sum3=215138583
Emax=10.0330906303 nrkept=805 nrkeptmult=2176 
Total energy=-4.3895284312  Egs=-1.55650091573
Kept: 805 out of 3513, ratio=0.229
<SaSd>=0.2091304896
<n_a^2>=1.08354701781
<n_d^2>=1.08354701781
Memory used: 44 MB  Time elapsed: 2797 s

 ***** [NRG] Iteration 65/67 (scale 2.8246014569602916e-10) ***** 
[1] xi(64)=1 zeta(65)=0
Stats: nr=40 min=1 max=337 sum3=145863974
Safeguard: keep additional 2 states
Emax=10.0113469868 nrkept=932 nrkeptmult=2512 
Total energy=-4.38952843143  Egs=-0.834233678537
Kept: 932 out of 3068, ratio=0.304
<SaSd>=0.209130489549
<n_a^2>=1.08354701791
<n_d^2>=1.08354701791
Memory used: 44 MB  Time elapsed: 2797 s

 ***** [NRG] Iteration 66/67 (scale 1.9972948443660242e-10) ***** 
[1] xi(65)=1 zeta(66)=0
Stats: nr=40 min=1 max=398 sum3=222658263
Emax=10.0258914662 nrkept=805 nrkeptmult=2176 
Total energy=-4.38952843175  Egs=-1.55966826666
Kept: 805 out of 3549, ratio=0.227
<SaSd>=0.209130489518
<n_a^2>=1.08354701798
<n_d^2>=1.08354701798
Memory used: 45 MB  Time elapsed: 2799 s

 ***** [NRG] Iteration 67/67 (scale 1.4123007284801458e-10) ***** 
[1] xi(66)=1 zeta(67)=0
Stats: nr=40 min=1 max=337 sum3=145863974
Safeguard: keep additional 4 states
Emax=10.1088277045 nrkept=937 nrkeptmult=2517 
Total energy=-4.38952843186  Egs=-0.832090125077
Kept: 937 out of 3068, ratio=0.305
<SaSd>=0.209130489499
<n_a^2>=1.08354701802
<n_d^2>=1.08354701802
Memory used: 44 MB  Time elapsed: 2800 s

** Iteration completed.


Total energy:             -4.389528431862976
TKW=3.40308428459e-07
Grand canonical Z=              26.18970335371512
Zft (last shell)=                26.1563750772628

Memory usage report
===================
  after diag: 637264 kB
after recalc: 377964 kB
 after split: 961320 kB
  after trim: 207632 kB
 after trunc: 638028 kB
      diag_h: 639232 kB

Peak usage: 961320 kB

Timing report
=============
         All: 2800 s
        diag: 2671 s
    recalc s: 39 s
       Other: 89 s
