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=1.41230072848e-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=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=	0.25
>>  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=0.25
# keep=5000 keepenergy=10 Nmax=67 channels=1 dots=1 betabar=1

Number of invariant subspaces: 6
(-2 1) 1 states
0.0242868568725 
(-1 2) 2 states
0.0113453037709 0.0343140850772 
(0 1) 3 states
0 0.0242868568725 0.045659388848 
(0 3) 1 states
0.0213725319756 
(1 2) 2 states
0.0113453037709 0.0343140850772 
(2 1) 1 states
0.0242868568725 
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 1.2131570881878404) ***** 
[1] xi(0)=0.473132378817 zeta(1)=0
Stats: nr=10 min=1 max=8 sum3=1055
Emax=1.89773831314 nrkept=35 nrkeptmult=64 
Total energy=-1.14862734306  Egs=-0.91658309309
Kept: 35 out of 35, ratio=1
Memory used: 3 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 2/67 (scale 0.85783160370214839) ***** 
[1] xi(1)=0.631518937152 zeta(2)=0
Stats: nr=15 min=1 max=20 sum3=30066
Emax=3.7436802757 nrkept=126 nrkeptmult=256 
Total energy=-1.60322362732  Egs=-0.529936507709
Kept: 126 out of 126, ratio=1
Memory used: 3 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 3/67 (scale 0.6065785440939202) ***** 
[1] xi(2)=0.974788923894 zeta(3)=0
Stats: nr=21 min=1 max=75 sum3=1007202
Emax=8.48507931453 nrkept=462 nrkeptmult=1024 
Total energy=-2.57093352856  Egs=-1.59535794773
Kept: 462 out of 462, ratio=1
Memory used: 3 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 4/67 (scale 0.4289158018510742) ***** 
[1] xi(3)=1.2027371305 zeta(4)=0
Stats: nr=28 min=1 max=210 sum3=37226316
Safeguard: keep additional 1 states
Emax=10.3158366257 nrkept=1468 nrkeptmult=3540 
Total energy=-3.05106108763  Egs=-1.11939815925
Kept: 1468 out of 1716, ratio=0.855
Memory used: 8 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 5/67 (scale 0.3032892720469601) ***** 
[1] xi(4)=1.12253968187 zeta(5)=0
Stats: nr=36 min=1 max=655 sum3=887844448
Emax=10.3375278583 nrkept=2232 nrkeptmult=5614 
Total energy=-3.54935223842  Egs=-1.64295673046
Kept: 2232 out of 5512, ratio=0.405
Memory used: 16 MB  Time elapsed: 2 s

 ***** [NRG] Iteration 6/67 (scale 0.2144579009255371) ***** 
[1] xi(5)=1.03243378845 zeta(6)=0
Stats: nr=42 min=2 max=841 sum3=2779096102
Safeguard: keep additional 5 states
Emax=10.0169265818 nrkept=2242 nrkeptmult=5560 
Total energy=-3.73897340061  Egs=-0.884188278327
Kept: 2242 out of 8428, ratio=0.266
Memory used: 19 MB  Time elapsed: 10 s

 ***** [NRG] Iteration 7/67 (scale 0.15164463602348005) ***** 
[1] xi(6)=1.00829687067 zeta(7)=0
Stats: nr=44 min=1 max=963 sum3=2974659303
Safeguard: keep additional 3 states
Emax=10.0050453513 nrkept=2066 nrkeptmult=5134 
Total energy=-3.97115561113  Egs=-1.53109411984
Kept: 2066 out of 8445, ratio=0.245
Memory used: 18 MB  Time elapsed: 18 s

 ***** [NRG] Iteration 8/67 (scale 0.10722895046276855) ***** 
[1] xi(7)=1.00300214986 zeta(8)=0
Stats: nr=42 min=1 max=791 sum3=2303803142
Safeguard: keep additional 7 states
Emax=10.4366944189 nrkept=2158 nrkeptmult=5360 
Total energy=-4.06532007344  Egs=-0.878162678124
Kept: 2158 out of 7778, ratio=0.277
Memory used: 18 MB  Time elapsed: 25 s

 ***** [NRG] Iteration 9/67 (scale 0.075822318011740025) ***** 
[1] xi(8)=1.00131950393 zeta(9)=0
Stats: nr=44 min=1 max=930 sum3=2672017501
Safeguard: keep additional 3 states
Emax=10.000073698 nrkept=1706 nrkeptmult=4224 
Total energy=-4.1793385272  Egs=-1.50375848102
Kept: 1706 out of 8137, ratio=0.21
Memory used: 16 MB  Time elapsed: 32 s

 ***** [NRG] Iteration 10/67 (scale 0.053614475231384275) ***** 
[1] xi(9)=1.00062206904 zeta(10)=0
Stats: nr=42 min=1 max=669 sum3=1357793608
Safeguard: keep additional 1 states
Emax=10.0110580013 nrkept=1970 nrkeptmult=4888 
Total energy=-4.22729526853  Egs=-0.894473761538
Kept: 1970 out of 6436, ratio=0.306
Memory used: 16 MB  Time elapsed: 36 s

 ***** [NRG] Iteration 11/67 (scale 0.037911159005870013) ***** 
[1] xi(10)=1.00030223414 zeta(11)=0
Stats: nr=44 min=1 max=850 sum3=2036505503
Safeguard: keep additional 1 states
Emax=10.0016418352 nrkept=1660 nrkeptmult=4126 
Total energy=-4.28334505675  Egs=-1.47845092815
Kept: 1660 out of 7433, ratio=0.223
Memory used: 16 MB  Time elapsed: 42 s

 ***** [NRG] Iteration 12/67 (scale 0.026807237615692137) ***** 
[1] xi(11)=1.00014898132 zeta(12)=0
Stats: nr=42 min=1 max=649 sum3=1240626676
Emax=10.0965190572 nrkept=1873 nrkeptmult=4641 
Total energy=-4.30781698851  Egs=-0.912885248027
Kept: 1873 out of 6268, ratio=0.299
Memory used: 16 MB  Time elapsed: 45 s

 ***** [NRG] Iteration 13/67 (scale 0.018955579502935006) ***** 
[1] xi(12)=1.00007396421 zeta(13)=0
Stats: nr=42 min=1 max=815 sum3=1779247980
Emax=10.0000595028 nrkept=1602 nrkeptmult=3984 
Total energy=-4.33537993232  Egs=-1.4540807786
Kept: 1602 out of 7056, ratio=0.227
Memory used: 16 MB  Time elapsed: 51 s

 ***** [NRG] Iteration 14/67 (scale 0.013403618807846069) ***** 
[1] xi(13)=1.0000368514 zeta(14)=0
Stats: nr=42 min=1 max=623 sum3=1106727948
Emax=10.0854646639 nrkept=1737 nrkeptmult=4323 
Total energy=-4.3478408708  Egs=-0.929669715765
Kept: 1737 out of 6042, ratio=0.287
Memory used: 16 MB  Time elapsed: 54 s

 ***** [NRG] Iteration 15/67 (scale 0.0094777897514675032) ***** 
[1] xi(14)=1.00001839314 zeta(15)=0
Stats: nr=42 min=1 max=757 sum3=1424611469
Emax=10.0017085019 nrkept=1547 nrkeptmult=3808 
Total energy=-4.36141683276  Egs=-1.43239745928
Kept: 1547 out of 6545, ratio=0.236
Memory used: 15 MB  Time elapsed: 59 s

 ***** [NRG] Iteration 16/67 (scale 0.0067018094039230343) ***** 
[1] xi(15)=1.00000918844 zeta(16)=0
Stats: nr=42 min=1 max=605 sum3=1003484280
Safeguard: keep additional 1 states
Emax=10.0013793436 nrkept=1626 nrkeptmult=4012 
Total energy=-4.36774075743  Egs=-0.943614520262
Kept: 1626 out of 5826, ratio=0.279
Memory used: 15 MB  Time elapsed: 62 s

 ***** [NRG] Iteration 17/67 (scale 0.0047388948757337516) ***** 
[1] xi(16)=1.00000459219 zeta(17)=0
Stats: nr=40 min=1 max=714 sum3=1183379053
Emax=10.0090271549 nrkept=1459 nrkeptmult=3612 
Total energy=-4.37443967257  Egs=-1.41360281661
Kept: 1459 out of 6121, ratio=0.238
Memory used: 15 MB  Time elapsed: 66 s

 ***** [NRG] Iteration 18/67 (scale 0.0033509047019615172) ***** 
[1] xi(17)=1.00000229559 zeta(18)=0
Stats: nr=40 min=1 max=572 sum3=857941254
Emax=10.0013826343 nrkept=1399 nrkeptmult=3399 
Total energy=-4.37764338052  Egs=-0.956072534587
Kept: 1399 out of 5490, ratio=0.255
Memory used: 14 MB  Time elapsed: 68 s

 ***** [NRG] Iteration 19/67 (scale 0.0023694474378668758) ***** 
[1] xi(18)=1.00000114767 zeta(19)=0
Stats: nr=36 min=1 max=628 sum3=785897172
Emax=10.0141626837 nrkept=1233 nrkeptmult=3054 
Total energy=-4.38095052798  Egs=-1.39574628208
Kept: 1233 out of 5262, ratio=0.234
Memory used: 15 MB  Time elapsed: 71 s

 ***** [NRG] Iteration 20/67 (scale 0.0016754523509807586) ***** 
[1] xi(19)=1.0000005738 zeta(20)=0
Stats: nr=40 min=1 max=488 sum3=530875732
Safeguard: keep additional 1 states
Emax=10.00673402 nrkept=1171 nrkeptmult=2925 
Total energy=-4.38257506718  Egs=-0.969612296853
Kept: 1171 out of 4642, ratio=0.252
Memory used: 14 MB  Time elapsed: 73 s

 ***** [NRG] Iteration 21/67 (scale 0.0011847237189334379) ***** 
[1] xi(20)=1.00000028689 zeta(21)=0
Stats: nr=34 min=1 max=529 sum3=476157256
Safeguard: keep additional 2 states
Emax=10.0265102538 nrkept=1016 nrkeptmult=2550 
Total energy=-4.38420557021  Egs=-1.37627280262
Kept: 1016 out of 4420, ratio=0.23
Memory used: 15 MB  Time elapsed: 74 s

 ***** [NRG] Iteration 22/67 (scale 0.00083772617549037929) ***** 
[1] xi(21)=1.00000014344 zeta(22)=0
Stats: nr=40 min=1 max=412 sum3=310885484
Emax=10.0042211025 nrkept=998 nrkeptmult=2520 
Total energy=-4.3850317343  Egs=-0.986198250176
Kept: 998 out of 3836, ratio=0.26
Memory used: 14 MB  Time elapsed: 75 s

 ***** [NRG] Iteration 23/67 (scale 0.00059236185946671895) ***** 
[1] xi(22)=1.00000007172 zeta(23)=0
Stats: nr=34 min=1 max=452 sum3=298861391
Safeguard: keep additional 2 states
Emax=10.0008601003 nrkept=860 nrkeptmult=2206 
Total energy=-4.38583339211  Egs=-1.35332448143
Kept: 860 out of 3773, ratio=0.228
Memory used: 16 MB  Time elapsed: 76 s

 ***** [NRG] Iteration 24/67 (scale 0.00041886308774518965) ***** 
[1] xi(23)=1.00000003586 zeta(24)=0
Stats: nr=40 min=1 max=354 sum3=189190898
Safeguard: keep additional 2 states
Emax=10.0083680486 nrkept=917 nrkeptmult=2321 
Total energy=-4.38625517618  Egs=-1.00697360451
Kept: 917 out of 3260, ratio=0.281
Memory used: 14 MB  Time elapsed: 77 s

 ***** [NRG] Iteration 25/67 (scale 0.00029618092973335947) ***** 
[1] xi(24)=1.00000001793 zeta(25)=0
Stats: nr=34 min=1 max=419 sum3=234139213
Safeguard: keep additional 3 states
Emax=10.0005151341 nrkept=832 nrkeptmult=2134 
Total energy=-4.38664781015  Egs=-1.32565582256
Kept: 832 out of 3469, ratio=0.24
Memory used: 15 MB  Time elapsed: 78 s

 ***** [NRG] Iteration 26/67 (scale 0.00020943154387259482) ***** 
[1] xi(25)=1.00000000897 zeta(26)=0
Stats: nr=40 min=1 max=342 sum3=170403924
Safeguard: keep additional 1 states
Emax=10.0078308603 nrkept=862 nrkeptmult=2160 
Total energy=-4.38686413608  Egs=-1.03291952393
Kept: 862 out of 3150, ratio=0.274
Memory used: 15 MB  Time elapsed: 79 s

 ***** [NRG] Iteration 27/67 (scale 0.00014809046486667974) ***** 
[1] xi(26)=1.00000000448 zeta(27)=0
Stats: nr=34 min=1 max=394 sum3=194732695
Safeguard: keep additional 1 states
Emax=10.0053127432 nrkept=814 nrkeptmult=2080 
Total energy=-4.38705548728  Egs=-1.29212369712
Kept: 814 out of 3253, ratio=0.25
Memory used: 15 MB  Time elapsed: 79 s

 ***** [NRG] Iteration 28/67 (scale 0.00010471577193629741) ***** 
[1] xi(27)=1.00000000224 zeta(28)=0
Stats: nr=40 min=1 max=332 sum3=159340638
Safeguard: keep additional 1 states
Emax=10.0256483831 nrkept=846 nrkeptmult=2112 
Total energy=-4.38716704049  Egs=-1.06529522034
Kept: 846 out of 3078, ratio=0.275
Memory used: 15 MB  Time elapsed: 80 s

 ***** [NRG] Iteration 29/67 (scale 7.4045232433339868e-05) ***** 
[1] xi(28)=1.00000000112 zeta(29)=0
Stats: nr=34 min=1 max=388 sum3=184673379
Safeguard: keep additional 1 states
Emax=10.0221550578 nrkept=811 nrkeptmult=2074 
Total energy=-4.38725970418  Egs=-1.25144706919
Kept: 811 out of 3189, ratio=0.254
Memory used: 15 MB  Time elapsed: 81 s

 ***** [NRG] Iteration 30/67 (scale 5.2357885968148706e-05) ***** 
[1] xi(29)=1.00000000056 zeta(30)=0
Stats: nr=40 min=1 max=331 sum3=157127166
Safeguard: keep additional 3 states
Emax=10.0027550867 nrkept=831 nrkeptmult=2071 
Total energy=-4.38731759917  Egs=-1.10575486269
Kept: 831 out of 3066, ratio=0.271
Memory used: 15 MB  Time elapsed: 81 s

 ***** [NRG] Iteration 31/67 (scale 3.7022616216669934e-05) ***** 
[1] xi(30)=1.00000000028 zeta(31)=0
Stats: nr=34 min=1 max=383 sum3=175120783
Safeguard: keep additional 4 states
Emax=10.0180026447 nrkept=809 nrkeptmult=2072 
Total energy=-4.38736211169  Egs=-1.20230608098
Kept: 809 out of 3133, ratio=0.258
Memory used: 16 MB  Time elapsed: 82 s

 ***** [NRG] Iteration 32/67 (scale 2.6178942984074353e-05) ***** 
[1] xi(31)=1.00000000014 zeta(32)=0
Stats: nr=40 min=1 max=331 sum3=156000882
Emax=10.0037782755 nrkept=799 nrkeptmult=1991 
Total energy=-4.38739237983  Egs=-1.15620203526
Kept: 799 out of 3060, ratio=0.261
Memory used: 15 MB  Time elapsed: 82 s

 ***** [NRG] Iteration 33/67 (scale 1.8511308108334967e-05) ***** 
[1] xi(32)=1.00000000007 zeta(33)=0
Stats: nr=34 min=1 max=369 sum3=155214486
Emax=10.002423408 nrkept=800 nrkeptmult=2054 
Total energy=-4.3874135543  Egs=-1.1438664869
Kept: 800 out of 3012, ratio=0.266
Memory used: 16 MB  Time elapsed: 83 s

 ***** [NRG] Iteration 34/67 (scale 1.3089471492037176e-05) ***** 
[1] xi(33)=1.00000000004 zeta(34)=0
Stats: nr=40 min=1 max=328 sum3=150479364
Safeguard: keep additional 3 states
Emax=10.0102510692 nrkept=774 nrkeptmult=1944 
Total energy=-4.3874294996  Egs=-1.21817793635
Kept: 774 out of 3024, ratio=0.256
Memory used: 15 MB  Time elapsed: 84 s

 ***** [NRG] Iteration 35/67 (scale 9.2556540541674836e-06) ***** 
[1] xi(34)=1.00000000002 zeta(35)=0
Stats: nr=34 min=1 max=356 sum3=141291029
Safeguard: keep additional 2 states
Emax=10.0019158152 nrkept=797 nrkeptmult=2022 
Total energy=-4.38743946774  Egs=-1.07697753063
Kept: 797 out of 2921, ratio=0.273
Memory used: 15 MB  Time elapsed: 84 s

 ***** [NRG] Iteration 36/67 (scale 6.5447357460185882e-06) ***** 
[1] xi(35)=1.00000000001 zeta(36)=0
Stats: nr=38 min=1 max=326 sum3=149796164
Safeguard: keep additional 2 states
Emax=10.030078339 nrkept=763 nrkeptmult=1925 
Total energy=-4.38744791925  Egs=-1.29134520095
Kept: 763 out of 3008, ratio=0.254
Memory used: 15 MB  Time elapsed: 85 s

 ***** [NRG] Iteration 37/67 (scale 4.6278270270837418e-06) ***** 
[1] xi(36)=1 zeta(37)=0
Stats: nr=34 min=1 max=349 sum3=134658679
Safeguard: keep additional 1 states
Emax=10.0099470503 nrkept=772 nrkeptmult=1942 
Total energy=-4.38745257467  Egs=-1.00596152809
Kept: 772 out of 2881, ratio=0.268
Memory used: 15 MB  Time elapsed: 85 s

 ***** [NRG] Iteration 38/67 (scale 3.2723678730092941e-06) ***** 
[1] xi(37)=1 zeta(38)=0
Stats: nr=38 min=1 max=321 sum3=140948302
Safeguard: keep additional 3 states
Emax=10.0123651518 nrkept=732 nrkeptmult=1828 
Total energy=-4.3874570612  Egs=-1.37103477942
Kept: 732 out of 2914, ratio=0.251
Memory used: 15 MB  Time elapsed: 86 s

 ***** [NRG] Iteration 39/67 (scale 2.3139135135418709e-06) ***** 
[1] xi(38)=1 zeta(39)=0
Stats: nr=33 min=1 max=337 sum3=120193748
Safeguard: keep additional 5 states
Emax=10.0015566681 nrkept=737 nrkeptmult=1836 
Total energy=-4.38745923453  Egs=-0.939248173991
Kept: 737 out of 2762, ratio=0.267
Memory used: 15 MB  Time elapsed: 86 s

 ***** [NRG] Iteration 40/67 (scale 1.6361839365046471e-06) ***** 
[1] xi(39)=1 zeta(40)=0
Stats: nr=38 min=1 max=306 sum3=124322342
Safeguard: keep additional 4 states
Emax=10.0001512396 nrkept=669 nrkeptmult=1649 
Total energy=-4.38746160225  Egs=-1.44709879382
Kept: 669 out of 2780, ratio=0.241
Memory used: 16 MB  Time elapsed: 87 s

 ***** [NRG] Iteration 41/67 (scale 1.1569567567709354e-06) ***** 
[1] xi(40)=1 zeta(41)=0
Stats: nr=33 min=1 max=315 sum3=96350519
Safeguard: keep additional 1 states
Emax=10.009352687 nrkept=700 nrkeptmult=1720 
Total energy=-4.38746262708  Egs=-0.885795365208
Kept: 700 out of 2525, ratio=0.277
Memory used: 16 MB  Time elapsed: 87 s

 ***** [NRG] Iteration 42/67 (scale 8.1809196825232353e-07) ***** 
[1] xi(41)=1 zeta(42)=0
Stats: nr=36 min=1 max=291 sum3=108888932
Safeguard: keep additional 3 states
Emax=10.0404156045 nrkept=617 nrkeptmult=1485 
Total energy=-4.38746386102  Egs=-1.50831492277
Kept: 617 out of 2636, ratio=0.234
Memory used: 16 MB  Time elapsed: 87 s

 ***** [NRG] Iteration 43/67 (scale 5.7847837838546772e-07) ***** 
[1] xi(42)=1 zeta(43)=0
Stats: nr=33 min=1 max=298 sum3=78368868
Safeguard: keep additional 3 states
Emax=10.0058743319 nrkept=635 nrkeptmult=1544 
Total energy=-4.38746435232  Egs=-0.849291688127
Kept: 635 out of 2322, ratio=0.273
Memory used: 17 MB  Time elapsed: 88 s

 ***** [NRG] Iteration 44/67 (scale 4.0904598412616176e-07) ***** 
[1] xi(43)=1 zeta(44)=0
Stats: nr=36 min=1 max=266 sum3=82616094
Safeguard: keep additional 1 states
Emax=10.0074208925 nrkept=562 nrkeptmult=1334 
Total energy=-4.38746498631  Egs=-1.54992250526
Kept: 562 out of 2388, ratio=0.235
Memory used: 16 MB  Time elapsed: 88 s

 ***** [NRG] Iteration 45/67 (scale 2.8923918919273386e-07) ***** 
[1] xi(44)=1 zeta(45)=0
Stats: nr=33 min=1 max=274 sum3=59896569
Safeguard: keep additional 2 states
Emax=10.0220971274 nrkept=574 nrkeptmult=1344 
Total energy=-4.3874652256  Egs=-0.827308158814
Kept: 574 out of 2109, ratio=0.272
Memory used: 16 MB  Time elapsed: 88 s

 ***** [NRG] Iteration 46/67 (scale 2.0452299206308088e-07) ***** 
[1] xi(45)=1 zeta(46)=0
Stats: nr=34 min=1 max=247 sum3=63585376
Emax=10.0285633078 nrkept=518 nrkeptmult=1212 
Total energy=-4.38746554767  Egs=-1.57476341423
Kept: 518 out of 2152, ratio=0.241
Memory used: 17 MB  Time elapsed: 88 s

 ***** [NRG] Iteration 47/67 (scale 1.4461959459636693e-07) ***** 
[1] xi(46)=1 zeta(47)=0
Stats: nr=33 min=1 max=254 sum3=46986120
Emax=10.224210861 nrkept=567 nrkeptmult=1322 
Total energy=-4.38746566556  Egs=-0.815117374595
Kept: 567 out of 1938, ratio=0.293
Memory used: 17 MB  Time elapsed: 89 s

 ***** [NRG] Iteration 48/67 (scale 1.0226149603154044e-07) ***** 
[1] xi(47)=1 zeta(48)=0
Stats: nr=34 min=1 max=244 sum3=61218744
Safeguard: keep additional 1 states
Emax=10.0589475016 nrkept=499 nrkeptmult=1149 
Total energy=-4.38746582799  Egs=-1.5884278353
Kept: 499 out of 2124, ratio=0.235
Memory used: 17 MB  Time elapsed: 89 s

 ***** [NRG] Iteration 49/67 (scale 7.2309797298183465e-08) ***** 
[1] xi(48)=1 zeta(49)=0
Stats: nr=33 min=1 max=245 sum3=42367736
Emax=10.6037705183 nrkept=567 nrkeptmult=1322 
Total energy=-4.38746588647  Egs=-0.808676334987
Kept: 567 out of 1862, ratio=0.305
Memory used: 17 MB  Time elapsed: 89 s

 ***** [NRG] Iteration 50/67 (scale 5.113074801577022e-08) ***** 
[1] xi(49)=1 zeta(50)=0
Stats: nr=34 min=1 max=244 sum3=61218744
Safeguard: keep additional 1 states
Emax=10.3160970085 nrkept=499 nrkeptmult=1149 
Total energy=-4.38746596805  Egs=-1.59560654431
Kept: 499 out of 2124, ratio=0.235
Memory used: 17 MB  Time elapsed: 89 s

 ***** [NRG] Iteration 51/67 (scale 3.6154898649091733e-08) ***** 
[1] xi(50)=1 zeta(51)=0
Stats: nr=33 min=1 max=245 sum3=42367736
Emax=10.7192888618 nrkept=567 nrkeptmult=1322 
Total energy=-4.38746599717  Egs=-0.805362397295
Kept: 567 out of 1862, ratio=0.305
Memory used: 17 MB  Time elapsed: 89 s

 ***** [NRG] Iteration 52/67 (scale 2.556537400788511e-08) ***** 
[1] xi(51)=1 zeta(52)=0
Stats: nr=34 min=1 max=244 sum3=61218744
Safeguard: keep additional 1 states
Emax=10.4664702783 nrkept=499 nrkeptmult=1149 
Total energy=-4.38746603805  Egs=-1.59928739926
Kept: 499 out of 2124, ratio=0.235
Memory used: 17 MB  Time elapsed: 90 s

 ***** [NRG] Iteration 53/67 (scale 1.8077449324545866e-08) ***** 
[1] xi(52)=1 zeta(53)=0
Stats: nr=33 min=1 max=245 sum3=42367736
Emax=10.7801232068 nrkept=567 nrkeptmult=1322 
Total energy=-4.38746605258  Egs=-0.803681088818
Kept: 567 out of 1862, ratio=0.305
Memory used: 17 MB  Time elapsed: 90 s

 ***** [NRG] Iteration 54/67 (scale 1.2782687003942555e-08) ***** 
[1] xi(53)=1 zeta(54)=0
Stats: nr=34 min=1 max=244 sum3=61218744
Emax=10.508575165 nrkept=498 nrkeptmult=1142 
Total energy=-4.38746607305  Egs=-1.60115134039
Kept: 498 out of 2124, ratio=0.234
Memory used: 17 MB  Time elapsed: 90 s

 ***** [NRG] Iteration 55/67 (scale 9.0387246622729332e-09) ***** 
[1] xi(54)=1 zeta(55)=0
Stats: nr=33 min=1 max=246 sum3=42402345
Emax=10.811035323 nrkept=567 nrkeptmult=1322 
Total energy=-4.38746608031  Egs=-0.802834218257
Kept: 567 out of 1857, ratio=0.305
Memory used: 17 MB  Time elapsed: 90 s

 ***** [NRG] Iteration 56/67 (scale 6.3913435019712775e-09) ***** 
[1] xi(55)=1 zeta(56)=0
Stats: nr=34 min=1 max=244 sum3=61218744
Emax=10.5172887236 nrkept=498 nrkeptmult=1142 
Total energy=-4.38746609055  Egs=-1.60208927107
Kept: 498 out of 2124, ratio=0.234
Memory used: 17 MB  Time elapsed: 91 s

 ***** [NRG] Iteration 57/67 (scale 4.5193623311364666e-09) ***** 
[1] xi(56)=1 zeta(57)=0
Stats: nr=33 min=1 max=246 sum3=42402345
Emax=10.826425224 nrkept=567 nrkeptmult=1322 
Total energy=-4.38746609417  Egs=-0.802409211887
Kept: 567 out of 1857, ratio=0.305
Memory used: 17 MB  Time elapsed: 91 s

 ***** [NRG] Iteration 58/67 (scale 3.1956717509856388e-09) ***** 
[1] xi(57)=1 zeta(58)=0
Stats: nr=34 min=1 max=244 sum3=61218744
Emax=10.521671404 nrkept=498 nrkeptmult=1142 
Total energy=-4.38746609929  Egs=-1.60255973678
Kept: 498 out of 2124, ratio=0.234
Memory used: 17 MB  Time elapsed: 91 s

 ***** [NRG] Iteration 59/67 (scale 2.2596811655682333e-09) ***** 
[1] xi(58)=1 zeta(59)=0
Stats: nr=33 min=1 max=246 sum3=42402345
Emax=10.8326084632 nrkept=567 nrkeptmult=1324 
Total energy=-4.38746610111  Egs=-0.80219631377
Kept: 567 out of 1857, ratio=0.305
Memory used: 17 MB  Time elapsed: 91 s

 ***** [NRG] Iteration 60/67 (scale 1.5978358754928194e-09) ***** 
[1] xi(59)=1 zeta(60)=0
Stats: nr=34 min=1 max=243 sum3=60833952
Emax=10.5238805887 nrkept=498 nrkeptmult=1142 
Total energy=-4.38746610367  Egs=-1.60279534602
Kept: 498 out of 2124, ratio=0.234
Memory used: 18 MB  Time elapsed: 91 s

 ***** [NRG] Iteration 61/67 (scale 1.1298405827841166e-09) ***** 
[1] xi(60)=1 zeta(61)=0
Stats: nr=33 min=1 max=246 sum3=42402345
Emax=10.8351294404 nrkept=567 nrkeptmult=1324 
Total energy=-4.38746610457  Egs=-0.802089765707
Kept: 567 out of 1857, ratio=0.305
Memory used: 18 MB  Time elapsed: 91 s

 ***** [NRG] Iteration 62/67 (scale 7.9891793774640969e-10) ***** 
[1] xi(61)=1 zeta(62)=0
Stats: nr=34 min=1 max=243 sum3=60833952
Emax=10.5249816671 nrkept=498 nrkeptmult=1142 
Total energy=-4.38746610585  Egs=-1.6029132449
Kept: 498 out of 2124, ratio=0.234
Memory used: 18 MB  Time elapsed: 92 s

 ***** [NRG] Iteration 63/67 (scale 5.6492029139205832e-10) ***** 
[1] xi(62)=1 zeta(63)=0
Stats: nr=33 min=1 max=246 sum3=42402345
Emax=10.8363882746 nrkept=567 nrkeptmult=1324 
Total energy=-4.38746610631  Egs=-0.802036466892
Kept: 567 out of 1857, ratio=0.305
Memory used: 18 MB  Time elapsed: 92 s

 ***** [NRG] Iteration 64/67 (scale 3.9945896887320485e-10) ***** 
[1] xi(63)=1 zeta(64)=0
Stats: nr=34 min=1 max=243 sum3=60833952
Emax=10.525532632 nrkept=498 nrkeptmult=1142 
Total energy=-4.38746610695  Egs=-1.60297221792
Kept: 498 out of 2124, ratio=0.234
Memory used: 18 MB  Time elapsed: 92 s

 ***** [NRG] Iteration 65/67 (scale 2.8246014569602916e-10) ***** 
[1] xi(64)=1 zeta(65)=0
Stats: nr=33 min=1 max=246 sum3=42402345
Emax=10.8370172737 nrkept=567 nrkeptmult=1324 
Total energy=-4.38746610717  Egs=-0.802009811284
Kept: 567 out of 1857, ratio=0.305
Memory used: 18 MB  Time elapsed: 92 s

 ***** [NRG] Iteration 66/67 (scale 1.9972948443660242e-10) ***** 
[1] xi(65)=1 zeta(66)=0
Stats: nr=34 min=1 max=243 sum3=60833952
Emax=10.5258082211 nrkept=498 nrkeptmult=1142 
Total energy=-4.38746610749  Egs=-1.60300171033
Kept: 498 out of 2124, ratio=0.234
Memory used: 18 MB  Time elapsed: 92 s

 ***** [NRG] Iteration 67/67 (scale 1.4123007284801458e-10) ***** 
[1] xi(66)=1 zeta(67)=0
Stats: nr=33 min=1 max=246 sum3=42402345
Emax=10.8373316698 nrkept=567 nrkeptmult=1324 
Total energy=-4.38746610761  Egs=-0.80199648193
Kept: 567 out of 1857, ratio=0.305
Memory used: 18 MB  Time elapsed: 93 s

** Iteration completed.


Total energy:             -4.387466107607467
TKW=1.13808026304e-06
Grand canonical Z=              13.43262166058761
Zft (last shell)=               13.41834777344837

Memory usage report
===================
  after diag: 68952 kB
after recalc: 27864 kB
 after split: 90144 kB
  after trim: 19508 kB
 after trunc: 69148 kB
      diag_h: 71796 kB

Peak usage: 90144 kB

Timing report
=============
         All: 93 s
        diag: 91 s
       Other: 1 s
