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=66
TEMPERATURE T=1.41230072848e-10
Nmax=66
Tmin=1e-10
Ninit=0
Lambda=2
strategy=kept
lastall=0
lastalloverride=0
z=0.75
discretization=Z
band=flat
betabar=1
T=1.41230072848e-10
T_ratio=1
Tmin_ratio=-999
keep=5000
keepenergy=10
keepmin=0
keepblock=0
keepzrescale=0
log=
logall=0
logenumber=10
smooth=old
alpha=0.3
omega0=-1
omega0_ratio=1
brcut=0
loggauss_b=0.3
gauss_b=0.1
limitLL=0
eta=0
finite=0
bins=100
discard_trim=1e-16
discard_immediately=1e-16
NN1=0
NN2even=1
NN2avg=0
NNtanh=0
goodE=2
savebins=0
broaden=1
broaden_max=2.5
broaden_min=-99
broaden_min_ratio=3
broaden_ratio=1.05
dumpenergies=0
saveall=0
dumpannotated=0
dumpscaled=1
dumpabs=0
dumpprecision=8
dumpgroups=1
grouptol=1e-06
dumpdiagonal=0
ops=
specs=
specd=
spect=
specb=
reim=0
trsq=
specgt=
gtp=0.7
speci1t=
speci2t=
speckubo=
kubop=0.7
kubor=4
kubob=2
cond=
specchit=
chitp=1
chitp_ratio=-999
dm=0
T0opt=-1
dmnrg=0
cfs=0
fdm=0
fdmexpv=0
fdmexpvn=0
mats=0
nromegan=100
width_td=12
width_custom=12
prec_td=6
prec_custom=6
prec_xy=6
safeguard=1e-05
safeguardmax=200
fixeps=1e-15
diag=dsyev
diagratio=1
dsyevrlimit=100
restart=1
restartfactor=2
checkdiag=0
checkrho=0
calc0=1
tdht=0
spin=2
tri=old
preccpp=2000
checksumrules=0
showEs=0
globalB=0
globalBx=0
polarized=0
pol2x2=0
mpi=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: 	../kondo.m	 Variant: 		 Channels: 	1
>>  U=	0.1	 Gamma=	0.1	 Delta=	0.	 t=	0.
>> 	 extraJkondo=	0.2	 extraspin=	1
>>  Gamma^(1/2)=	0.252313252202016
>>  Lambda=	2.	 BAND=	flat
>>  DISCRETIZATION=	Z	 z=	0.75
>>  ops=	
V7
>>  Number of channels, impurities, subspaces: 
channels=1 impurities=0 subspaces=4
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=0.75
# keep=5000 keepenergy=10 Nmax=66 channels=1 dots=0 betabar=1

Number of invariant subspaces: 4
(-1 3) 1 states
0.164859111773 
(0 2) 1 states
0 
(0 4) 1 states
0.24728866766 
(1 3) 1 states
0.164859111773 
Number of states (multiplicity taken into account): 12

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

Computing the following spectra:

Before NRG iteration (N=-1)

 ***** [NRG] Iteration 1/66 (scale 0.85783160370214839) ***** 
[1] xi(0)=0.684778584642 zeta(1)=0
Stats: nr=9 min=1 max=4 sum3=100
Emax=2.75902787881 nrkept=16 nrkeptmult=48 
Total energy=-1.18410979139  Egs=-1.14720626652
Kept: 16 out of 16, ratio=1
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 2/66 (scale 0.6065785440939202) ***** 
[1] xi(1)=0.833755393818 zeta(2)=0
Stats: nr=15 min=1 max=9 sum3=3135
Emax=5.35333634252 nrkept=63 nrkeptmult=192 
Total energy=-1.64955764799  Egs=-0.767333202164
Kept: 63 out of 63, ratio=1
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 3/66 (scale 0.4289158018510742) ***** 
[1] xi(2)=0.947046165312 zeta(3)=0
Stats: nr=22 min=1 max=36 sum3=118866
Emax=10.449615862 nrkept=246 nrkeptmult=768 
Total energy=-2.2422984965  Egs=-1.38195152976
Kept: 246 out of 246, ratio=1
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 4/66 (scale 0.3032892720469601) ***** 
[1] xi(3)=0.972572268687 zeta(4)=0
Stats: nr=30 min=1 max=100 sum3=4956177
Emax=10.5976026503 nrkept=708 nrkeptmult=2282 
Total energy=-2.5196043168  Egs=-0.914327824505
Kept: 708 out of 957, ratio=0.74
Memory used: 6 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 5/66 (scale 0.2144579009255371) ***** 
[1] xi(4)=0.980132362648 zeta(5)=0
Stats: nr=39 min=1 max=288 sum3=84692336
Emax=10.0049038604 nrkept=954 nrkeptmult=3040 
Total energy=-2.81572028504  Egs=-1.38076502174
Kept: 954 out of 2750, ratio=0.347
Memory used: 13 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 6/66 (scale 0.15164463602348005) ***** 
[1] xi(5)=0.988164304343 zeta(6)=0
Stats: nr=46 min=1 max=340 sum3=204065249
Safeguard: keep additional 4 states
Emax=10.0007797055 nrkept=1142 nrkeptmult=3570 
Total energy=-2.9598308247  Egs=-0.95031742261
Kept: 1142 out of 3701, ratio=0.309
Memory used: 16 MB  Time elapsed: 1 s

 ***** [NRG] Iteration 7/66 (scale 0.10722895046276855) ***** 
[1] xi(6)=0.993732382824 zeta(7)=0
Stats: nr=39 min=1 max=462 sum3=355455634
Emax=10.0008759091 nrkept=995 nrkeptmult=3127 
Total energy=-3.10761693922  Egs=-1.37822960949
Kept: 995 out of 4426, ratio=0.225
Memory used: 18 MB  Time elapsed: 2 s

 ***** [NRG] Iteration 8/66 (scale 0.075822318011740025) ***** 
[1] xi(7)=0.996801670793 zeta(8)=0
Stats: nr=46 min=1 max=358 sum3=234117511
Safeguard: keep additional 1 states
Emax=10.0079054784 nrkept=1081 nrkeptmult=3314 
Total energy=-3.18142634511  Egs=-0.973452247708
Kept: 1081 out of 3853, ratio=0.281
Memory used: 18 MB  Time elapsed: 2 s

 ***** [NRG] Iteration 9/66 (scale 0.053614475231384275) ***** 
[1] xi(8)=0.998386814476 zeta(9)=0
Stats: nr=39 min=1 max=443 sum3=309500604
Safeguard: keep additional 2 states
Emax=10.0002680996 nrkept=994 nrkeptmult=3124 
Total energy=-3.25465525689  Egs=-1.36584218093
Kept: 994 out of 4182, ratio=0.238
Memory used: 19 MB  Time elapsed: 3 s

 ***** [NRG] Iteration 10/66 (scale 0.037911159005870013) ***** 
[1] xi(9)=0.999190082691 zeta(10)=0
Stats: nr=46 min=1 max=357 sum3=232642389
Safeguard: keep additional 1 states
Emax=10.0013684061 nrkept=1077 nrkeptmult=3302 
Total energy=-3.29221639627  Egs=-0.990767371976
Kept: 1077 out of 3849, ratio=0.28
Memory used: 21 MB  Time elapsed: 4 s

 ***** [NRG] Iteration 11/66 (scale 0.026807237615692137) ***** 
[1] xi(10)=0.999594228576 zeta(11)=0
Stats: nr=39 min=1 max=439 sum3=303704084
Safeguard: keep additional 2 states
Emax=10.0009521235 nrkept=994 nrkeptmult=3124 
Total energy=-3.32836524883  Egs=-1.34847361289
Kept: 994 out of 4166, ratio=0.239
Memory used: 22 MB  Time elapsed: 5 s

 ***** [NRG] Iteration 12/66 (scale 0.018955579502935006) ***** 
[1] xi(11)=0.999796913201 zeta(12)=0
Stats: nr=46 min=1 max=357 sum3=232642389
Emax=10.0028607304 nrkept=1066 nrkeptmult=3258 
Total energy=-3.3474755583  Egs=-1.00816276612
Kept: 1066 out of 3849, ratio=0.277
Memory used: 24 MB  Time elapsed: 6 s

 ***** [NRG] Iteration 13/66 (scale 0.013403618807846069) ***** 
[1] xi(12)=0.999898406582 zeta(13)=0
Stats: nr=39 min=1 max=436 sum3=295857504
Emax=10.0055515644 nrkept=1004 nrkeptmult=3136 
Total energy=-3.36527418075  Egs=-1.32789679483
Kept: 1004 out of 4122, ratio=0.244
Memory used: 24 MB  Time elapsed: 7 s

 ***** [NRG] Iteration 14/66 (scale 0.0094777897514675032) ***** 
[1] xi(13)=0.999949190818 zeta(14)=0
Stats: nr=46 min=1 max=365 sum3=238475342
Safeguard: keep additional 3 states
Emax=10.0356314186 nrkept=1069 nrkeptmult=3266 
Total energy=-3.37501340927  Egs=-1.02758436084
Kept: 1069 out of 3884, ratio=0.275
Memory used: 25 MB  Time elapsed: 8 s

 ***** [NRG] Iteration 15/66 (scale 0.0067018094039230343) ***** 
[1] xi(14)=0.999974592294 zeta(15)=0
Stats: nr=39 min=1 max=437 sum3=297958608
Safeguard: keep additional 1 states
Emax=10.0143580272 nrkept=1012 nrkeptmult=3152 
Total energy=-3.38375451545  Egs=-1.3042904759
Kept: 1012 out of 4134, ratio=0.245
Memory used: 26 MB  Time elapsed: 8 s

 ***** [NRG] Iteration 16/66 (scale 0.0047388948757337516) ***** 
[1] xi(15)=0.999987295369 zeta(16)=0
Stats: nr=46 min=1 max=371 sum3=245044054
Emax=10.0029078842 nrkept=1052 nrkeptmult=3204 
Total energy=-3.38872986292  Egs=-1.04989614593
Kept: 1052 out of 3916, ratio=0.269
Memory used: 26 MB  Time elapsed: 9 s

 ***** [NRG] Iteration 17/66 (scale 0.0033509047019615172) ***** 
[1] xi(16)=0.99999364749 zeta(17)=0
Stats: nr=39 min=1 max=432 sum3=286027924
Safeguard: keep additional 2 states
Emax=10.0053760748 nrkept=1006 nrkeptmult=3114 
Total energy=-3.39301033438  Egs=-1.27740769759
Kept: 1006 out of 4066, ratio=0.247
Memory used: 26 MB  Time elapsed: 10 s

 ***** [NRG] Iteration 18/66 (scale 0.0023694474378668758) ***** 
[1] xi(17)=0.999996823696 zeta(18)=0
Stats: nr=44 min=1 max=370 sum3=243215548
Safeguard: keep additional 3 states
Emax=10.0008308139 nrkept=1041 nrkeptmult=3166 
Total energy=-3.39555917458  Egs=-1.0757108036
Kept: 1041 out of 3892, ratio=0.267
Memory used: 26 MB  Time elapsed: 11 s

 ***** [NRG] Iteration 19/66 (scale 0.0016754523509807586) ***** 
[1] xi(18)=0.999998411836 zeta(19)=0
Stats: nr=39 min=1 max=425 sum3=275249552
Safeguard: keep additional 2 states
Emax=10.0013688663 nrkept=1005 nrkeptmult=3099 
Total energy=-3.39764836071  Egs=-1.24693855149
Kept: 1005 out of 4022, ratio=0.25
Memory used: 27 MB  Time elapsed: 12 s

 ***** [NRG] Iteration 20/66 (scale 0.0011847237189334379) ***** 
[1] xi(19)=0.999999205915 zeta(20)=0
Stats: nr=44 min=1 max=373 sum3=241046367
Emax=10.0027160142 nrkept=1029 nrkeptmult=3130 
Total energy=-3.39895814523  Egs=-1.1055611511
Kept: 1029 out of 3885, ratio=0.265
Memory used: 27 MB  Time elapsed: 13 s

 ***** [NRG] Iteration 21/66 (scale 0.00083772617549037929) ***** 
[1] xi(20)=0.999999602957 zeta(21)=0
Stats: nr=39 min=1 max=419 sum3=264588008
Safeguard: keep additional 2 states
Emax=10.0220771794 nrkept=1008 nrkeptmult=3108 
Total energy=-3.39997404053  Egs=-1.21268181833
Kept: 1008 out of 3974, ratio=0.254
Memory used: 27 MB  Time elapsed: 14 s

 ***** [NRG] Iteration 22/66 (scale 0.00059236185946671895) ***** 
[1] xi(21)=0.999999801478 zeta(22)=0
Stats: nr=44 min=1 max=374 sum3=243879963
Safeguard: keep additional 1 states
Emax=10.0052964324 nrkept=1010 nrkeptmult=3070 
Total energy=-3.40064924813  Egs=-1.13985663816
Kept: 1010 out of 3897, ratio=0.259
Memory used: 27 MB  Time elapsed: 14 s

 ***** [NRG] Iteration 23/66 (scale 0.00041886308774518965) ***** 
[1] xi(22)=0.999999900739 zeta(23)=0
Stats: nr=39 min=1 max=410 sum3=249989314
Safeguard: keep additional 4 states
Emax=10.0051212818 nrkept=1005 nrkeptmult=3077 
Total energy=-3.40114129183  Egs=-1.17471248093
Kept: 1005 out of 3898, ratio=0.258
Memory used: 28 MB  Time elapsed: 15 s

 ***** [NRG] Iteration 24/66 (scale 0.00029618092973335947) ***** 
[1] xi(23)=0.99999995037 zeta(24)=0
Stats: nr=44 min=1 max=373 sum3=240464560
Emax=10.0009662195 nrkept=995 nrkeptmult=3022 
Total energy=-3.40149040733  Egs=-1.17872378673
Kept: 995 out of 3880, ratio=0.256
Memory used: 27 MB  Time elapsed: 16 s

 ***** [NRG] Iteration 25/66 (scale 0.00020943154387259482) ***** 
[1] xi(24)=0.999999975185 zeta(25)=0
Stats: nr=39 min=1 max=403 sum3=237919714
Safeguard: keep additional 2 states
Emax=10.0115283094 nrkept=1000 nrkeptmult=3026 
Total energy=-3.40172781535  Egs=-1.13358290418
Kept: 1000 out of 3838, ratio=0.261
Memory used: 28 MB  Time elapsed: 17 s

 ***** [NRG] Iteration 26/66 (scale 0.00014809046486667974) ***** 
[1] xi(25)=0.999999987592 zeta(26)=0
Stats: nr=44 min=1 max=376 sum3=243543140
Safeguard: keep additional 2 states
Emax=10.0079935547 nrkept=981 nrkeptmult=2970 
Total energy=-3.40190874631  Egs=-1.22175965424
Kept: 981 out of 3860, ratio=0.254
Memory used: 28 MB  Time elapsed: 17 s

 ***** [NRG] Iteration 27/66 (scale 0.00010471577193629741) ***** 
[1] xi(26)=0.999999993796 zeta(27)=0
Stats: nr=39 min=1 max=397 sum3=227924240
Safeguard: keep additional 1 states
Emax=10.007467754 nrkept=1000 nrkeptmult=3004 
Total energy=-3.40202293968  Egs=-1.09050789795
Kept: 1000 out of 3782, ratio=0.264
Memory used: 28 MB  Time elapsed: 18 s

 ***** [NRG] Iteration 28/66 (scale 7.4045232433339868e-05) ***** 
[1] xi(27)=0.999999996898 zeta(28)=0
Stats: nr=44 min=1 max=376 sum3=243364922
Safeguard: keep additional 3 states
Emax=10.0015595143 nrkept=964 nrkeptmult=2890 
Total energy=-3.40211681212  Egs=-1.26777152423
Kept: 964 out of 3854, ratio=0.25
Memory used: 29 MB  Time elapsed: 19 s

 ***** [NRG] Iteration 29/66 (scale 5.2357885968148706e-05) ***** 
[1] xi(28)=0.999999998449 zeta(29)=0
Stats: nr=38 min=1 max=393 sum3=220175262
Emax=10.0072107119 nrkept=987 nrkeptmult=2927 
Total energy=-3.40217165154  Egs=-1.04739565912
Kept: 987 out of 3714, ratio=0.266
Memory used: 28 MB  Time elapsed: 20 s

 ***** [NRG] Iteration 30/66 (scale 3.7022616216669934e-05) ***** 
[1] xi(29)=0.999999999225 zeta(30)=0
Stats: nr=44 min=1 max=378 sum3=236159009
Safeguard: keep additional 2 states
Emax=10.0022758481 nrkept=939 nrkeptmult=2782 
Total energy=-3.40222032444  Egs=-1.31468018386
Kept: 939 out of 3797, ratio=0.247
Memory used: 29 MB  Time elapsed: 21 s

 ***** [NRG] Iteration 31/66 (scale 2.6178942984074353e-05) ***** 
[1] xi(30)=0.999999999612 zeta(31)=0
Stats: nr=38 min=1 max=386 sum3=208024496
Safeguard: keep additional 3 states
Emax=10.0059961168 nrkept=966 nrkeptmult=2822 
Total energy=-3.40224667517  Egs=-1.00656192693
Kept: 966 out of 3614, ratio=0.267
Memory used: 29 MB  Time elapsed: 21 s

 ***** [NRG] Iteration 32/66 (scale 1.8511308108334967e-05) ***** 
[1] xi(31)=0.999999999806 zeta(32)=0
Stats: nr=42 min=1 max=379 sum3=227735567
Safeguard: keep additional 3 states
Emax=10.0017806901 nrkept=907 nrkeptmult=2636 
Total energy=-3.40227184705  Egs=-1.35981125228
Kept: 907 out of 3713, ratio=0.244
Memory used: 29 MB  Time elapsed: 22 s

 ***** [NRG] Iteration 33/66 (scale 1.3089471492037176e-05) ***** 
[1] xi(32)=0.999999999903 zeta(33)=0
Stats: nr=40 min=1 max=373 sum3=189440396
Safeguard: keep additional 3 states
Emax=10.0114431389 nrkept=961 nrkeptmult=2801 
Total energy=-3.40228454554  Egs=-0.970129614525
Kept: 961 out of 3482, ratio=0.276
Memory used: 29 MB  Time elapsed: 23 s

 ***** [NRG] Iteration 34/66 (scale 9.2556540541674836e-06) ***** 
[1] xi(33)=0.999999999952 zeta(34)=0
Stats: nr=42 min=1 max=379 sum3=224131119
Safeguard: keep additional 1 states
Emax=10.0072235104 nrkept=879 nrkeptmult=2524 
Total energy=-3.40229750904  Egs=-1.40060381309
Kept: 879 out of 3693, ratio=0.238
Memory used: 29 MB  Time elapsed: 23 s

 ***** [NRG] Iteration 35/66 (scale 6.5447357460185882e-06) ***** 
[1] xi(34)=0.999999999976 zeta(35)=0
Stats: nr=40 min=1 max=366 sum3=177686666
Safeguard: keep additional 1 states
Emax=10.0093269464 nrkept=921 nrkeptmult=2629 
Total energy=-3.40230365728  Egs=-0.939416918962
Kept: 921 out of 3374, ratio=0.273
Memory used: 29 MB  Time elapsed: 24 s

 ***** [NRG] Iteration 36/66 (scale 4.6278270270837418e-06) ***** 
[1] xi(35)=0.999999999988 zeta(36)=0
Stats: nr=42 min=1 max=372 sum3=201739614
Safeguard: keep additional 1 states
Emax=10.0037419359 nrkept=858 nrkeptmult=2432 
Total energy=-3.40231029994  Egs=-1.43537447837
Kept: 858 out of 3528, ratio=0.243
Memory used: 29 MB  Time elapsed: 25 s

 ***** [NRG] Iteration 37/66 (scale 3.2723678730092941e-06) ***** 
[1] xi(36)=0.999999999994 zeta(37)=0
Stats: nr=40 min=1 max=356 sum3=165657814
Safeguard: keep additional 2 states
Emax=10.000032308 nrkept=897 nrkeptmult=2501 
Total energy=-3.40231329318  Egs=-0.914699640585
Kept: 897 out of 3286, ratio=0.273
Memory used: 29 MB  Time elapsed: 25 s

 ***** [NRG] Iteration 38/66 (scale 2.3139135135418709e-06) ***** 
[1] xi(37)=0.999999999997 zeta(38)=0
Stats: nr=42 min=1 max=372 sum3=193227189
Safeguard: keep additional 2 states
Emax=10.0101077266 nrkept=840 nrkeptmult=2362 
Total energy=-3.40231667993  Egs=-1.46364558375
Kept: 840 out of 3429, ratio=0.245
Memory used: 29 MB  Time elapsed: 26 s

 ***** [NRG] Iteration 39/66 (scale 1.6361839365046471e-06) ***** 
[1] xi(38)=0.999999999998 zeta(39)=0
Stats: nr=40 min=1 max=350 sum3=157806660
Safeguard: keep additional 1 states
Emax=10.0022069446 nrkept=885 nrkeptmult=2435 
Total energy=-3.40231814501  Egs=-0.895426917879
Kept: 885 out of 3216, ratio=0.275
Memory used: 29 MB  Time elapsed: 26 s

 ***** [NRG] Iteration 40/66 (scale 1.1569567567709354e-06) ***** 
[1] xi(39)=0.999999999999 zeta(40)=0
Stats: nr=40 min=1 max=372 sum3=189780885
Safeguard: keep additional 3 states
Emax=10.0056829273 nrkept=819 nrkeptmult=2268 
Total energy=-3.40231986415  Egs=-1.48592006792
Kept: 819 out of 3381, ratio=0.242
Memory used: 29 MB  Time elapsed: 27 s

 ***** [NRG] Iteration 41/66 (scale 8.1809196825232353e-07) ***** 
[1] xi(40)=1 zeta(41)=0
Stats: nr=40 min=1 max=343 sum3=149839314
Safeguard: keep additional 2 states
Emax=10.0074681747 nrkept=892 nrkeptmult=2436 
Total energy=-3.4023205846  Egs=-0.880639982145
Kept: 892 out of 3132, ratio=0.285
Memory used: 29 MB  Time elapsed: 27 s

 ***** [NRG] Iteration 42/66 (scale 5.7847837838546772e-07) ***** 
[1] xi(41)=1 zeta(42)=0
Stats: nr=40 min=1 max=374 sum3=192351971
Safeguard: keep additional 1 states
Emax=10.018913782 nrkept=810 nrkeptmult=2236 
Total energy=-3.40232145417  Egs=-1.50320116092
Kept: 810 out of 3401, ratio=0.238
Memory used: 29 MB  Time elapsed: 28 s

 ***** [NRG] Iteration 43/66 (scale 4.0904598412616176e-07) ***** 
[1] xi(42)=1 zeta(43)=0
Stats: nr=40 min=1 max=338 sum3=144960138
Safeguard: keep additional 2 states
Emax=10.0023596162 nrkept=896 nrkeptmult=2440 
Total energy=-3.40232180976  Egs=-0.869325068521
Kept: 896 out of 3096, ratio=0.289
Memory used: 29 MB  Time elapsed: 29 s

 ***** [NRG] Iteration 44/66 (scale 2.8923918919273386e-07) ***** 
[1] xi(43)=1 zeta(44)=0
Stats: nr=40 min=1 max=376 sum3=194341565
Safeguard: keep additional 3 states
Emax=10.0316351671 nrkept=802 nrkeptmult=2200 
Total energy=-3.40232224842  Egs=-1.5165821796
Kept: 802 out of 3413, ratio=0.235
Memory used: 30 MB  Time elapsed: 29 s

 ***** [NRG] Iteration 45/66 (scale 2.0452299206308088e-07) ***** 
[1] xi(44)=1 zeta(45)=0
Stats: nr=40 min=1 max=334 sum3=141407572
Emax=10.042153177 nrkept=901 nrkeptmult=2449 
Total energy=-3.40232242443  Egs=-0.860602849171
Kept: 901 out of 3064, ratio=0.294
Memory used: 30 MB  Time elapsed: 30 s

 ***** [NRG] Iteration 46/66 (scale 1.4461959459636693e-07) ***** 
[1] xi(45)=1 zeta(46)=0
Stats: nr=40 min=1 max=379 sum3=197528124
Safeguard: keep additional 1 states
Emax=10.053952647 nrkept=796 nrkeptmult=2166 
Total energy=-3.40232264527  Egs=-1.52702419038
Kept: 796 out of 3432, ratio=0.232
Memory used: 30 MB  Time elapsed: 31 s

 ***** [NRG] Iteration 47/66 (scale 1.0226149603154044e-07) ***** 
[1] xi(46)=1 zeta(47)=0
Stats: nr=40 min=1 max=336 sum3=141913786
Emax=10.0243214001 nrkept=901 nrkeptmult=2449 
Total energy=-3.40232273258  Egs=-0.853785714091
Kept: 901 out of 3040, ratio=0.296
Memory used: 30 MB  Time elapsed: 31 s

 ***** [NRG] Iteration 48/66 (scale 7.2309797298183465e-08) ***** 
[1] xi(47)=1 zeta(48)=0
Stats: nr=40 min=1 max=379 sum3=197528124
Safeguard: keep additional 1 states
Emax=10.0133359635 nrkept=796 nrkeptmult=2166 
Total energy=-3.40232284359  Egs=-1.53528551162
Kept: 796 out of 3432, ratio=0.232
Memory used: 30 MB  Time elapsed: 32 s

 ***** [NRG] Iteration 49/66 (scale 5.113074801577022e-08) ***** 
[1] xi(48)=1 zeta(49)=0
Stats: nr=40 min=1 max=336 sum3=141913786
Emax=10.0076423229 nrkept=901 nrkeptmult=2449 
Total energy=-3.40232288697  Egs=-0.848365492326
Kept: 901 out of 3040, ratio=0.296
Memory used: 29 MB  Time elapsed: 32 s

 ***** [NRG] Iteration 50/66 (scale 3.6154898649091733e-08) ***** 
[1] xi(49)=1 zeta(50)=0
Stats: nr=40 min=1 max=379 sum3=197528124
Safeguard: keep additional 1 states
Emax=10.0247606484 nrkept=804 nrkeptmult=2174 
Total energy=-3.40232294272  Egs=-1.54193113666
Kept: 804 out of 3432, ratio=0.234
Memory used: 30 MB  Time elapsed: 33 s

 ***** [NRG] Iteration 51/66 (scale 2.556537400788511e-08) ***** 
[1] xi(50)=1 zeta(51)=0
Stats: nr=40 min=1 max=336 sum3=144834322
Safeguard: keep additional 1 states
Emax=10.0007099637 nrkept=903 nrkeptmult=2453 
Total energy=-3.4023229643  Egs=-0.843977159469
Kept: 903 out of 3064, ratio=0.295
Memory used: 30 MB  Time elapsed: 33 s

 ***** [NRG] Iteration 52/66 (scale 1.8077449324545866e-08) ***** 
[1] xi(51)=1 zeta(52)=0
Stats: nr=40 min=1 max=381 sum3=199615376
Safeguard: keep additional 1 states
Emax=10.0117433511 nrkept=804 nrkeptmult=2174 
Total energy=-3.40232299227  Egs=-1.54737030316
Kept: 804 out of 3440, ratio=0.234
Memory used: 31 MB  Time elapsed: 34 s

 ***** [NRG] Iteration 53/66 (scale 1.2782687003942555e-08) ***** 
[1] xi(52)=1 zeta(53)=0
Stats: nr=40 min=1 max=336 sum3=144834322
Safeguard: keep additional 2 states
Emax=10.0052877564 nrkept=922 nrkeptmult=2488 
Total energy=-3.40232300301  Egs=-0.840361271924
Kept: 922 out of 3064, ratio=0.301
Memory used: 30 MB  Time elapsed: 34 s

 ***** [NRG] Iteration 54/66 (scale 9.0387246622729332e-09) ***** 
[1] xi(53)=1 zeta(54)=0
Stats: nr=40 min=1 max=392 sum3=213807179
Safeguard: keep additional 1 states
Emax=10.0003238875 nrkept=804 nrkeptmult=2174 
Total energy=-3.40232301704  Egs=-1.55189646215
Kept: 804 out of 3509, ratio=0.229
Memory used: 31 MB  Time elapsed: 35 s

 ***** [NRG] Iteration 55/66 (scale 6.3913435019712775e-09) ***** 
[1] xi(54)=1 zeta(55)=0
Stats: nr=40 min=1 max=336 sum3=144834322
Emax=10.0071540887 nrkept=923 nrkeptmult=2491 
Total energy=-3.40232302239  Egs=-0.83733321986
Kept: 923 out of 3064, ratio=0.301
Memory used: 30 MB  Time elapsed: 36 s

 ***** [NRG] Iteration 56/66 (scale 4.5193623311364666e-09) ***** 
[1] xi(55)=1 zeta(56)=0
Stats: nr=40 min=1 max=393 sum3=215138583
Emax=10.0348111429 nrkept=805 nrkeptmult=2176 
Total energy=-3.40232302942  Egs=-1.55572037484
Kept: 805 out of 3513, ratio=0.229
Memory used: 31 MB  Time elapsed: 36 s

 ***** [NRG] Iteration 57/66 (scale 3.1956717509856388e-09) ***** 
[1] xi(56)=1 zeta(57)=0
Stats: nr=40 min=1 max=337 sum3=145863974
Safeguard: keep additional 2 states
Emax=10.0149299119 nrkept=932 nrkeptmult=2512 
Total energy=-3.40232303209  Egs=-0.834760492043
Kept: 932 out of 3068, ratio=0.304
Memory used: 32 MB  Time elapsed: 37 s

 ***** [NRG] Iteration 58/66 (scale 2.2596811655682333e-09) ***** 
[1] xi(57)=1 zeta(58)=0
Stats: nr=40 min=1 max=398 sum3=222658263
Emax=10.0274500886 nrkept=805 nrkeptmult=2176 
Total energy=-3.40232303561  Egs=-1.55899478501
Kept: 805 out of 3549, ratio=0.227
Memory used: 33 MB  Time elapsed: 38 s

 ***** [NRG] Iteration 59/66 (scale 1.5978358754928194e-09) ***** 
[1] xi(58)=1 zeta(59)=0
Stats: nr=40 min=1 max=337 sum3=145863974
Safeguard: keep additional 4 states
Emax=10.1138757891 nrkept=937 nrkeptmult=2517 
Total energy=-3.40232303694  Egs=-0.832546690386
Kept: 937 out of 3068, ratio=0.305
Memory used: 32 MB  Time elapsed: 38 s

 ***** [NRG] Iteration 60/66 (scale 1.1298405827841166e-09) ***** 
[1] xi(59)=1 zeta(60)=0
Stats: nr=40 min=1 max=399 sum3=224190732
Emax=10.0207932797 nrkept=805 nrkeptmult=2176 
Total energy=-3.40232303871  Egs=-1.56183189232
Kept: 805 out of 3564, ratio=0.226
Memory used: 33 MB  Time elapsed: 39 s

 ***** [NRG] Iteration 61/66 (scale 7.9891793774640969e-10) ***** 
[1] xi(60)=1 zeta(61)=0
Stats: nr=40 min=1 max=337 sum3=145863974
Safeguard: keep additional 4 states
Emax=10.0925158763 nrkept=937 nrkeptmult=2517 
Total energy=-3.40232303937  Egs=-0.830620560352
Kept: 937 out of 3068, ratio=0.305
Memory used: 31 MB  Time elapsed: 39 s

 ***** [NRG] Iteration 62/66 (scale 5.6492029139205832e-10) ***** 
[1] xi(61)=1 zeta(62)=0
Stats: nr=40 min=1 max=399 sum3=224190732
Emax=10.0147900451 nrkept=805 nrkeptmult=2176 
Total energy=-3.40232304025  Egs=-1.56431542881
Kept: 805 out of 3564, ratio=0.226
Memory used: 33 MB  Time elapsed: 40 s

 ***** [NRG] Iteration 63/66 (scale 3.9945896887320485e-10) ***** 
[1] xi(62)=1 zeta(63)=0
Stats: nr=40 min=1 max=337 sum3=145863974
Safeguard: keep additional 4 states
Emax=10.073640246 nrkept=937 nrkeptmult=2517 
Total energy=-3.40232304058  Egs=-0.828928530999
Kept: 937 out of 3068, ratio=0.305
Memory used: 32 MB  Time elapsed: 41 s

 ***** [NRG] Iteration 64/66 (scale 2.8246014569602916e-10) ***** 
[1] xi(63)=1 zeta(64)=0
Stats: nr=40 min=1 max=399 sum3=224190732
Emax=10.009377381 nrkept=805 nrkeptmult=2176 
Total energy=-3.40232304103  Egs=-1.56650893138
Kept: 805 out of 3564, ratio=0.226
Memory used: 33 MB  Time elapsed: 41 s

 ***** [NRG] Iteration 65/66 (scale 1.9972948443660242e-10) ***** 
[1] xi(64)=1 zeta(65)=0
Stats: nr=40 min=1 max=337 sum3=145863974
Safeguard: keep additional 4 states
Emax=10.0568637555 nrkept=937 nrkeptmult=2517 
Total energy=-3.40232304119  Egs=-0.827429638593
Kept: 937 out of 3068, ratio=0.305
Memory used: 32 MB  Time elapsed: 42 s

 ***** [NRG] Iteration 66/66 (scale 1.4123007284801458e-10) ***** 
[1] xi(65)=1 zeta(66)=0
Stats: nr=40 min=1 max=399 sum3=224190732
Emax=10.0044905008 nrkept=805 nrkeptmult=2176 
Total energy=-3.40232304141  Egs=-1.56846141345
Kept: 805 out of 3564, ratio=0.226
Memory used: 33 MB  Time elapsed: 43 s

** Iteration completed.


Total energy:             -3.402323041413287
TKW=2.77537511785e-06
Grand canonical Z=              19.32424277581252
Zft (last shell)=               19.28823634906738

Memory usage report
===================
  after diag: 40192 kB
after recalc: 34516 kB
 after split: 42472 kB
  after trim: 34516 kB
 after trunc: 40244 kB
      diag_h: 40192 kB

Peak usage: 42472 kB

Timing report
=============
         All: 43 s
        diag: 37 s
       Other: 5 s
