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=1.18759861984e-10
Nmax=66
Tmin=1e-10
Ninit=0
Lambda=2
strategy=kept
lastall=0
lastalloverride=0
z=1
discretization=Z
band=flat
betabar=1
T=1.18759861984e-10
T_ratio=1
Tmin_ratio=-999
keep=5000
keepenergy=10
keepmin=0
keepblock=0
keepzrescale=0
log=
logall=0
logenumber=10
smooth=old
alpha=0.3
omega0=-1
omega0_ratio=1
brcut=0
loggauss_b=0.3
gauss_b=0.1
limitLL=0
eta=0
finite=0
bins=100
discard_trim=1e-16
discard_immediately=1e-16
NN1=0
NN2even=1
NN2avg=0
NNtanh=0
goodE=2
savebins=0
broaden=1
broaden_max=2.5
broaden_min=-99
broaden_min_ratio=3
broaden_ratio=1.05
dumpenergies=0
saveall=0
dumpannotated=0
dumpscaled=1
dumpabs=0
dumpprecision=8
dumpgroups=1
grouptol=1e-06
dumpdiagonal=0
ops=
specs=
specd=
spect=
specb=
reim=0
trsq=
specgt=
gtp=0.7
speci1t=
speci2t=
speckubo=
kubop=0.7
kubor=4
kubob=2
cond=
specchit=
chitp=1
chitp_ratio=-999
dm=0
T0opt=-1
dmnrg=0
cfs=0
fdm=0
fdmexpv=0
fdmexpvn=0
mats=0
nromegan=100
width_td=12
width_custom=12
prec_td=6
prec_custom=6
prec_xy=6
safeguard=1e-05
safeguardmax=200
fixeps=1e-15
diag=dsyev
diagratio=1
dsyevrlimit=100
restart=1
restartfactor=2
checkdiag=0
checkrho=0
calc0=1
tdht=0
spin=2
tri=old
preccpp=2000
checksumrules=0
showEs=0
globalB=0
globalBx=0
polarized=0
pol2x2=0
mpi=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=	1.
>>  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=1
# keep=5000 keepenergy=10 Nmax=66 channels=1 dots=0 betabar=1

Number of invariant subspaces: 4
(-1 3) 1 states
0.196051628694 
(0 2) 1 states
0 
(0 4) 1 states
0.294077443041 
(1 3) 1 states
0.196051628694 
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 0.72134752044448169) ***** 
[1] xi(0)=0.755928946018 zeta(1)=0
Stats: nr=9 min=1 max=4 sum3=100
Emax=3.04924050034 nrkept=16 nrkeptmult=48 
Total energy=-1.10061458968  Egs=-1.24851692721
Kept: 16 out of 16, ratio=1
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 2/66 (scale 0.51006972329839473) ***** 
[1] xi(1)=0.814613079963 zeta(2)=0
Stats: nr=15 min=1 max=9 sum3=3135
Emax=5.63492930574 nrkept=63 nrkeptmult=192 
Total energy=-1.46065198183  Egs=-0.70585917122
Kept: 63 out of 63, ratio=1
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 3/66 (scale 0.36067376022224085) ***** 
[1] xi(2)=0.892494029723 zeta(3)=0
Stats: nr=22 min=1 max=36 sum3=118866
Safeguard: keep additional 1 states
Emax=10.1073605223 nrkept=245 nrkeptmult=765 
Total energy=-1.93649824583  Egs=-1.31932598511
Kept: 245 out of 246, ratio=0.996
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 4/66 (scale 0.25503486164919736) ***** 
[1] xi(3)=0.942104180991 zeta(4)=0
Stats: nr=30 min=1 max=99 sum3=4837967
Safeguard: keep additional 3 states
Emax=10.0225814036 nrkept=677 nrkeptmult=2134 
Total energy=-2.1631450794  Egs=-0.88868961718
Kept: 677 out of 953, ratio=0.71
Memory used: 5 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 5/66 (scale 0.18033688011112042) ***** 
[1] xi(4)=0.96993426226 zeta(5)=0
Stats: nr=39 min=1 max=279 sum3=76293184
Emax=10.0105798417 nrkept=914 nrkeptmult=2902 
Total energy=-2.40997751723  Egs=-1.36872966682
Kept: 914 out of 2626, ratio=0.348
Memory used: 12 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 6/66 (scale 0.12751743082459868) ***** 
[1] xi(5)=0.984675515632 zeta(6)=0
Stats: nr=46 min=1 max=321 sum3=174586141
Safeguard: keep additional 1 states
Emax=10.0073828022 nrkept=1081 nrkeptmult=3314 
Total energy=-2.53118307432  Egs=-0.950501874989
Kept: 1081 out of 3541, ratio=0.305
Memory used: 14 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 7/66 (scale 0.090168440055560212) ***** 
[1] xi(6)=0.992263204714 zeta(7)=0
Stats: nr=39 min=1 max=443 sum3=309500604
Safeguard: keep additional 2 states
Emax=10.0051177557 nrkept=990 nrkeptmult=3112 
Total energy=-2.65492353619  Egs=-1.37232563622
Kept: 990 out of 4182, ratio=0.237
Memory used: 18 MB  Time elapsed: 1 s

 ***** [NRG] Iteration 8/66 (scale 0.063758715412299341) ***** 
[1] xi(7)=0.996112749408 zeta(8)=0
Stats: nr=46 min=1 max=355 sum3=228417593
Safeguard: keep additional 1 states
Emax=10.0016228218 nrkept=1079 nrkeptmult=3308 
Total energy=-2.71720610398  Egs=-0.976847908426
Kept: 1079 out of 3833, ratio=0.282
Memory used: 18 MB  Time elapsed: 2 s

 ***** [NRG] Iteration 9/66 (scale 0.045084220027780106) ***** 
[1] xi(8)=0.998051634085 zeta(9)=0
Stats: nr=39 min=1 max=441 sum3=306591508
Safeguard: keep additional 4 states
Emax=10.0136837813 nrkept=999 nrkeptmult=3139 
Total energy=-2.77853528761  Egs=-1.36032482292
Kept: 999 out of 4174, ratio=0.239
Memory used: 20 MB  Time elapsed: 3 s

 ***** [NRG] Iteration 10/66 (scale 0.031879357706149671) ***** 
[1] xi(9)=0.99902462843 zeta(10)=0
Stats: nr=46 min=1 max=358 sum3=235537295
Safeguard: keep additional 3 states
Emax=10.0022130799 nrkept=1075 nrkeptmult=3292 
Total energy=-2.81026499819  Egs=-0.995305829844
Kept: 1075 out of 3869, ratio=0.278
Memory used: 20 MB  Time elapsed: 4 s

 ***** [NRG] Iteration 11/66 (scale 0.022542110013890053) ***** 
[1] xi(10)=0.999512016628 zeta(11)=0
Stats: nr=39 min=1 max=439 sum3=302689344
Safeguard: keep additional 1 states
Emax=10.0001806884 nrkept=993 nrkeptmult=3119 
Total energy=-2.84052769659  Egs=-1.34249626074
Kept: 993 out of 4158, ratio=0.239
Memory used: 20 MB  Time elapsed: 5 s

 ***** [NRG] Iteration 12/66 (scale 0.015939678853074835) ***** 
[1] xi(11)=0.999755933863 zeta(12)=0
Stats: nr=46 min=1 max=358 sum3=231833609
Emax=10.0127183117 nrkept=1066 nrkeptmult=3258 
Total energy=-2.85668318164  Egs=-1.01353893034
Kept: 1066 out of 3845, ratio=0.277
Memory used: 22 MB  Time elapsed: 6 s

 ***** [NRG] Iteration 13/66 (scale 0.011271055006945026) ***** 
[1] xi(12)=0.999877948312 zeta(13)=0
Stats: nr=39 min=1 max=436 sum3=295857504
Safeguard: keep additional 3 states
Emax=10.0074897659 nrkept=1008 nrkeptmult=3144 
Total energy=-2.87157424483  Egs=-1.32117740331
Kept: 1008 out of 4122, ratio=0.245
Memory used: 23 MB  Time elapsed: 7 s

 ***** [NRG] Iteration 14/66 (scale 0.0079698394265374176) ***** 
[1] xi(13)=0.9999389695 zeta(14)=0
Stats: nr=46 min=1 max=367 sum3=240901878
Safeguard: keep additional 3 states
Emax=10.0428289124 nrkept=1069 nrkeptmult=3266 
Total energy=-2.87981374026  Egs=-1.03383455913
Kept: 1069 out of 3900, ratio=0.274
Memory used: 26 MB  Time elapsed: 7 s

 ***** [NRG] Iteration 15/66 (scale 0.0056355275034725132) ***** 
[1] xi(14)=0.999969483586 zeta(15)=0
Stats: nr=39 min=1 max=437 sum3=297958608
Emax=10.0009467564 nrkept=1010 nrkeptmult=3148 
Total energy=-2.88712115768  Egs=-1.29666964
Kept: 1010 out of 4134, ratio=0.244
Memory used: 26 MB  Time elapsed: 8 s

 ***** [NRG] Iteration 16/66 (scale 0.0039849197132687088) ***** 
[1] xi(15)=0.999984741502 zeta(16)=0
Stats: nr=46 min=1 max=369 sum3=242963978
Emax=10.0065798949 nrkept=1047 nrkeptmult=3184 
Total energy=-2.89133380127  Egs=-1.05714641483
Kept: 1047 out of 3908, ratio=0.268
Memory used: 26 MB  Time elapsed: 9 s

 ***** [NRG] Iteration 17/66 (scale 0.0028177637517362566) ***** 
[1] xi(16)=0.999992370678 zeta(17)=0
Stats: nr=39 min=1 max=429 sum3=281109344
Safeguard: keep additional 1 states
Emax=10.0001412283 nrkept=1005 nrkeptmult=3109 
Total energy=-2.89490887879  Egs=-1.26876411066
Kept: 1005 out of 4046, ratio=0.248
Memory used: 27 MB  Time elapsed: 10 s

 ***** [NRG] Iteration 18/66 (scale 0.0019924598566343544) ***** 
[1] xi(17)=0.999996185321 zeta(18)=0
Stats: nr=44 min=1 max=371 sum3=242449422
Safeguard: keep additional 2 states
Emax=10.0031104474 nrkept=1037 nrkeptmult=3154 
Total energy=-2.89706892444  Egs=-1.08410999905
Kept: 1037 out of 3888, ratio=0.267
Memory used: 26 MB  Time elapsed: 11 s

 ***** [NRG] Iteration 19/66 (scale 0.0014088818758681283) ***** 
[1] xi(18)=0.999998092656 zeta(19)=0
Stats: nr=39 min=1 max=423 sum3=272051884
Safeguard: keep additional 2 states
Emax=10.0116710716 nrkept=1008 nrkeptmult=3108 
Total energy=-2.89881197531  Egs=-1.23718737422
Kept: 1008 out of 4006, ratio=0.252
Memory used: 27 MB  Time elapsed: 12 s

 ***** [NRG] Iteration 20/66 (scale 0.0009962299283171772) ***** 
[1] xi(19)=0.999999046327 zeta(20)=0
Stats: nr=44 min=1 max=374 sum3=243879963
Emax=10.0026174631 nrkept=1013 nrkeptmult=3080 
Total energy=-2.89992301536  Egs=-1.11524460631
Kept: 1013 out of 3897, ratio=0.26
Memory used: 27 MB  Time elapsed: 12 s

 ***** [NRG] Iteration 21/66 (scale 0.00070444093793406415) ***** 
[1] xi(20)=0.999999523163 zeta(21)=0
Stats: nr=39 min=1 max=413 sum3=253650184
Emax=10.0036566421 nrkept=1005 nrkeptmult=3099 
Total energy=-2.90076961683  Egs=-1.20180616685
Kept: 1005 out of 3910, ratio=0.257
Memory used: 27 MB  Time elapsed: 13 s

 ***** [NRG] Iteration 22/66 (scale 0.0004981149641585886) ***** 
[1] xi(21)=0.999999761581 zeta(22)=0
Stats: nr=44 min=1 max=373 sum3=241046367
Safeguard: keep additional 2 states
Emax=10.004841823 nrkept=1007 nrkeptmult=3062 
Total energy=-2.90134289739  Egs=-1.15090010402
Kept: 1007 out of 3885, ratio=0.259
Memory used: 27 MB  Time elapsed: 14 s

 ***** [NRG] Iteration 23/66 (scale 0.00035222046896703208) ***** 
[1] xi(22)=0.999999880791 zeta(23)=0
Stats: nr=39 min=1 max=407 sum3=246182764
Safeguard: keep additional 1 states
Emax=10.0049173943 nrkept=996 nrkeptmult=3026 
Total energy=-2.90175246507  Egs=-1.16281623819
Kept: 996 out of 3886, ratio=0.256
Memory used: 28 MB  Time elapsed: 15 s

 ***** [NRG] Iteration 24/66 (scale 0.0002490574820792943) ***** 
[1] xi(23)=0.999999940395 zeta(24)=0
Stats: nr=44 min=1 max=373 sum3=238962940
Safeguard: keep additional 2 states
Emax=10.002083917 nrkept=992 nrkeptmult=3012 
Total energy=-2.90204911132  Egs=-1.19107542135
Kept: 992 out of 3844, ratio=0.258
Memory used: 27 MB  Time elapsed: 15 s

 ***** [NRG] Iteration 25/66 (scale 0.00017611023448351604) ***** 
[1] xi(24)=0.999999970198 zeta(25)=0
Stats: nr=39 min=1 max=400 sum3=234425638
Safeguard: keep additional 2 states
Emax=10.0035323951 nrkept=1001 nrkeptmult=3017 
Total energy=-2.90224652223  Egs=-1.1209508429
Kept: 1001 out of 3826, ratio=0.262
Memory used: 28 MB  Time elapsed: 16 s

 ***** [NRG] Iteration 26/66 (scale 0.00012452874103964715) ***** 
[1] xi(25)=0.999999985099 zeta(26)=0
Stats: nr=44 min=1 max=377 sum3=244517415
Safeguard: keep additional 2 states
Emax=10.002651065 nrkept=974 nrkeptmult=2934 
Total energy=-2.9024003349  Egs=-1.23515797626
Kept: 974 out of 3861, ratio=0.252
Memory used: 28 MB  Time elapsed: 17 s

 ***** [NRG] Iteration 27/66 (scale 8.8055117241758019e-05) ***** 
[1] xi(26)=0.999999992549 zeta(27)=0
Stats: nr=39 min=1 max=396 sum3=225584794
Safeguard: keep additional 1 states
Emax=10.0293032087 nrkept=1004 nrkeptmult=3004 
Total energy=-2.90249522651  Egs=-1.07763873003
Kept: 1004 out of 3754, ratio=0.267
Memory used: 28 MB  Time elapsed: 18 s

 ***** [NRG] Iteration 28/66 (scale 6.2264370519823575e-05) ***** 
[1] xi(27)=0.999999996275 zeta(28)=0
Stats: nr=44 min=1 max=380 sum3=245652314
Safeguard: keep additional 1 states
Emax=10.0111092963 nrkept=959 nrkeptmult=2874 
Total energy=-2.90257503006  Egs=-1.28168891735
Kept: 959 out of 3866, ratio=0.248
Memory used: 28 MB  Time elapsed: 19 s

 ***** [NRG] Iteration 29/66 (scale 4.402755862087901e-05) ***** 
[1] xi(28)=0.999999998137 zeta(29)=0
Stats: nr=38 min=1 max=390 sum3=216430768
Safeguard: keep additional 1 states
Emax=10.0044537981 nrkept=974 nrkeptmult=2866 
Total energy=-2.90262059662  Egs=-1.03495544895
Kept: 974 out of 3694, ratio=0.264
Memory used: 28 MB  Time elapsed: 19 s

 ***** [NRG] Iteration 30/66 (scale 3.1132185259911788e-05) ***** 
[1] xi(29)=0.999999999069 zeta(30)=0
Stats: nr=42 min=1 max=377 sum3=231641455
Safeguard: keep additional 1 states
Emax=10.0055521446 nrkept=932 nrkeptmult=2754 
Total energy=-2.9026619514  Egs=-1.32836086353
Kept: 932 out of 3745, ratio=0.249
Memory used: 28 MB  Time elapsed: 20 s

 ***** [NRG] Iteration 31/66 (scale 2.2013779310439505e-05) ***** 
[1] xi(30)=0.999999999534 zeta(31)=0
Stats: nr=38 min=1 max=383 sum3=203484958
Safeguard: keep additional 3 states
Emax=10.0021823565 nrkept=964 nrkeptmult=2814 
Total energy=-2.90268386019  Egs=-0.995230931225
Kept: 964 out of 3586, ratio=0.269
Memory used: 28 MB  Time elapsed: 21 s

 ***** [NRG] Iteration 32/66 (scale 1.5566092629955894e-05) ***** 
[1] xi(31)=0.999999999767 zeta(32)=0
Stats: nr=42 min=1 max=379 sum3=226139205
Emax=10.0159374277 nrkept=898 nrkeptmult=2610 
Total energy=-2.90270522382  Egs=-1.37244649253
Kept: 898 out of 3705, ratio=0.242
Memory used: 28 MB  Time elapsed: 22 s

 ***** [NRG] Iteration 33/66 (scale 1.1006889655219752e-05) ***** 
[1] xi(32)=0.999999999884 zeta(33)=0
Stats: nr=40 min=1 max=372 sum3=186077904
Safeguard: keep additional 3 states
Emax=10.0003526947 nrkept=941 nrkeptmult=2727 
Total energy=-2.90271579487  Egs=-0.960402565533
Kept: 941 out of 3450, ratio=0.273
Memory used: 29 MB  Time elapsed: 22 s

 ***** [NRG] Iteration 34/66 (scale 7.7830463149779469e-06) ***** 
[1] xi(33)=0.999999999942 zeta(34)=0
Stats: nr=42 min=1 max=376 sum3=213289357
Safeguard: keep additional 2 states
Emax=10.0043097658 nrkept=871 nrkeptmult=2492 
Total energy=-2.90272678124  Egs=-1.41157706546
Kept: 871 out of 3613, ratio=0.241
Memory used: 29 MB  Time elapsed: 23 s

 ***** [NRG] Iteration 35/66 (scale 5.5034448276098762e-06) ***** 
[1] xi(34)=0.999999999971 zeta(35)=0
Stats: nr=40 min=1 max=362 sum3=172853226
Safeguard: keep additional 2 states
Emax=10.023288283 nrkept=917 nrkeptmult=2601 
Total energy=-2.90273190759  Egs=-0.931481777577
Kept: 917 out of 3342, ratio=0.274
Memory used: 29 MB  Time elapsed: 24 s

 ***** [NRG] Iteration 36/66 (scale 3.8915231574889735e-06) ***** 
[1] xi(35)=0.999999999985 zeta(36)=0
Stats: nr=42 min=1 max=373 sum3=199591139
Emax=10.0201927154 nrkept=853 nrkeptmult=2416 
Total energy=-2.90273752859  Egs=-1.44441965733
Kept: 853 out of 3509, ratio=0.243
Memory used: 28 MB  Time elapsed: 25 s

 ***** [NRG] Iteration 37/66 (scale 2.7517224138049381e-06) ***** 
[1] xi(36)=0.999999999993 zeta(37)=0
Stats: nr=40 min=1 max=355 sum3=163654654
Safeguard: keep additional 1 states
Emax=10.0161345054 nrkept=896 nrkeptmult=2496 
Total energy=-2.90274002842  Egs=-0.908461514359
Kept: 896 out of 3268, ratio=0.274
Memory used: 29 MB  Time elapsed: 26 s

 ***** [NRG] Iteration 38/66 (scale 1.9457615787444867e-06) ***** 
[1] xi(37)=0.999999999996 zeta(38)=0
Stats: nr=42 min=1 max=373 sum3=192843491
Safeguard: keep additional 1 states
Emax=10.0435822768 nrkept=836 nrkeptmult=2334 
Total energy=-2.90274289031  Egs=-1.47082972378
Kept: 836 out of 3425, ratio=0.244
Memory used: 29 MB  Time elapsed: 26 s

 ***** [NRG] Iteration 39/66 (scale 1.3758612069024691e-06) ***** 
[1] xi(38)=0.999999999998 zeta(39)=0
Stats: nr=40 min=1 max=349 sum3=157296522
Emax=10.0207772474 nrkept=890 nrkeptmult=2440 
Total energy=-2.90274411568  Egs=-0.890625531144
Kept: 890 out of 3198, ratio=0.278
Memory used: 29 MB  Time elapsed: 27 s

 ***** [NRG] Iteration 40/66 (scale 9.7288078937224336e-07) ***** 
[1] xi(39)=0.999999999999 zeta(40)=0
Stats: nr=40 min=1 max=373 sum3=191083008
Emax=10.0265793363 nrkept=815 nrkeptmult=2256 
Total energy=-2.90274556674  Egs=-1.49150997681
Kept: 815 out of 3396, ratio=0.24
Memory used: 29 MB  Time elapsed: 28 s

 ***** [NRG] Iteration 41/66 (scale 6.8793060345123453e-07) ***** 
[1] xi(40)=1 zeta(41)=0
Stats: nr=40 min=1 max=341 sum3=147754430
Safeguard: keep additional 2 states
Emax=10.0000443145 nrkept=892 nrkeptmult=2436 
Total energy=-2.90274617004  Egs=-0.876969040133
Kept: 892 out of 3116, ratio=0.286
Memory used: 29 MB  Time elapsed: 28 s

 ***** [NRG] Iteration 42/66 (scale 4.8644039468612168e-07) ***** 
[1] xi(41)=1 zeta(42)=0
Stats: nr=40 min=1 max=374 sum3=192351971
Safeguard: keep additional 1 states
Emax=10.0227808723 nrkept=808 nrkeptmult=2230 
Total energy=-2.90274690336  Egs=-1.50752500314
Kept: 808 out of 3401, ratio=0.238
Memory used: 29 MB  Time elapsed: 29 s

 ***** [NRG] Iteration 43/66 (scale 3.4396530172561726e-07) ***** 
[1] xi(42)=1 zeta(43)=0
Stats: nr=40 min=1 max=336 sum3=143251600
Emax=10.0560175365 nrkept=901 nrkeptmult=2449 
Total energy=-2.90274720141  Egs=-0.866505505733
Kept: 901 out of 3088, ratio=0.292
Memory used: 29 MB  Time elapsed: 30 s

 ***** [NRG] Iteration 44/66 (scale 2.4322019734306084e-07) ***** 
[1] xi(43)=1 zeta(44)=0
Stats: nr=40 min=1 max=379 sum3=197528124
Safeguard: keep additional 1 states
Emax=10.0052620646 nrkept=796 nrkeptmult=2170 
Total energy=-2.90274757109  Egs=-1.51994389229
Kept: 796 out of 3432, ratio=0.232
Memory used: 30 MB  Time elapsed: 30 s

 ***** [NRG] Iteration 45/66 (scale 1.7198265086280863e-07) ***** 
[1] xi(44)=1 zeta(45)=0
Stats: nr=40 min=1 max=334 sum3=140598232
Emax=10.0367115868 nrkept=901 nrkeptmult=2449 
Total energy=-2.90274771872  Egs=-0.858410693713
Kept: 901 out of 3040, ratio=0.296
Memory used: 29 MB  Time elapsed: 31 s

 ***** [NRG] Iteration 46/66 (scale 1.2161009867153042e-07) ***** 
[1] xi(45)=1 zeta(46)=0
Stats: nr=40 min=1 max=379 sum3=197528124
Safeguard: keep additional 1 states
Emax=10.0437052019 nrkept=796 nrkeptmult=2166 
Total energy=-2.90274790474  Egs=-1.52967010005
Kept: 796 out of 3432, ratio=0.232
Memory used: 29 MB  Time elapsed: 32 s

 ***** [NRG] Iteration 47/66 (scale 8.5991325431404316e-08) ***** 
[1] xi(46)=1 zeta(47)=0
Stats: nr=40 min=1 max=336 sum3=141913786
Emax=10.0192766078 nrkept=901 nrkeptmult=2449 
Total energy=-2.90274797801  Egs=-0.85205316492
Kept: 901 out of 3040, ratio=0.296
Memory used: 29 MB  Time elapsed: 32 s

 ***** [NRG] Iteration 48/66 (scale 6.080504933576521e-08) ***** 
[1] xi(47)=1 zeta(48)=0
Stats: nr=40 min=1 max=379 sum3=197528124
Safeguard: keep additional 3 states
Emax=10.0032499452 nrkept=800 nrkeptmult=2170 
Total energy=-2.90274807149  Egs=-1.53740168589
Kept: 800 out of 3432, ratio=0.233
Memory used: 30 MB  Time elapsed: 33 s

 ***** [NRG] Iteration 49/66 (scale 4.2995662715702158e-08) ***** 
[1] xi(48)=1 zeta(49)=0
Stats: nr=40 min=1 max=336 sum3=142986430
Emax=10.002888821 nrkept=901 nrkeptmult=2449 
Total energy=-2.90274810791  Egs=-0.846971266756
Kept: 901 out of 3052, ratio=0.295
Memory used: 29 MB  Time elapsed: 33 s

 ***** [NRG] Iteration 50/66 (scale 3.0402524667882605e-08) ***** 
[1] xi(49)=1 zeta(50)=0
Stats: nr=40 min=1 max=379 sum3=197528124
Safeguard: keep additional 1 states
Emax=10.0207242433 nrkept=804 nrkeptmult=2174 
Total energy=-2.90274815484  Egs=-1.5436531691
Kept: 804 out of 3432, ratio=0.234
Memory used: 30 MB  Time elapsed: 34 s

 ***** [NRG] Iteration 51/66 (scale 2.1497831357851079e-08) ***** 
[1] xi(50)=1 zeta(51)=0
Stats: nr=40 min=1 max=336 sum3=144834322
Safeguard: keep additional 1 states
Emax=10.0022837979 nrkept=912 nrkeptmult=2468 
Total energy=-2.90274817296  Egs=-0.842834932484
Kept: 912 out of 3064, ratio=0.298
Memory used: 29 MB  Time elapsed: 35 s

 ***** [NRG] Iteration 52/66 (scale 1.5201262333941303e-08) ***** 
[1] xi(51)=1 zeta(52)=0
Stats: nr=40 min=1 max=386 sum3=205659143
Safeguard: keep additional 1 states
Emax=10.008202212 nrkept=804 nrkeptmult=2174 
Total energy=-2.9027481965  Egs=-1.54879554556
Kept: 804 out of 3473, ratio=0.232
Memory used: 30 MB  Time elapsed: 36 s

 ***** [NRG] Iteration 53/66 (scale 1.0748915678925539e-08) ***** 
[1] xi(52)=1 zeta(53)=0
Stats: nr=40 min=1 max=336 sum3=144834322
Emax=10.0173872506 nrkept=923 nrkeptmult=2491 
Total energy=-2.90274820553  Egs=-0.839409722087
Kept: 923 out of 3064, ratio=0.301
Memory used: 30 MB  Time elapsed: 36 s

 ***** [NRG] Iteration 54/66 (scale 7.6006311669706513e-09) ***** 
[1] xi(53)=1 zeta(54)=0
Stats: nr=40 min=1 max=393 sum3=215138583
Emax=10.040425117 nrkept=805 nrkeptmult=2176 
Total energy=-2.90274821733  Egs=-1.55309470616
Kept: 805 out of 3513, ratio=0.229
Memory used: 30 MB  Time elapsed: 37 s

 ***** [NRG] Iteration 55/66 (scale 5.3744578394627697e-09) ***** 
[1] xi(54)=1 zeta(55)=0
Stats: nr=40 min=1 max=337 sum3=145863974
Emax=10.0030333661 nrkept=923 nrkeptmult=2491 
Total energy=-2.90274822183  Egs=-0.836528493197
Kept: 923 out of 3068, ratio=0.301
Memory used: 30 MB  Time elapsed: 37 s

 ***** [NRG] Iteration 56/66 (scale 3.8003155834853256e-09) ***** 
[1] xi(55)=1 zeta(56)=0
Stats: nr=40 min=1 max=393 sum3=215138583
Emax=10.0325549046 nrkept=805 nrkeptmult=2176 
Total energy=-2.90274822774  Egs=-1.55674201021
Kept: 805 out of 3513, ratio=0.229
Memory used: 31 MB  Time elapsed: 38 s

 ***** [NRG] Iteration 57/66 (scale 2.6872289197313849e-09) ***** 
[1] xi(56)=1 zeta(57)=0
Stats: nr=40 min=1 max=337 sum3=145863974
Safeguard: keep additional 2 states
Emax=10.0102332854 nrkept=932 nrkeptmult=2512 
Total energy=-2.90274822998  Egs=-0.834070841162
Kept: 932 out of 3068, ratio=0.304
Memory used: 30 MB  Time elapsed: 38 s

 ***** [NRG] Iteration 58/66 (scale 1.9001577917426628e-09) ***** 
[1] xi(57)=1 zeta(58)=0
Stats: nr=40 min=1 max=398 sum3=222658263
Emax=10.0254064557 nrkept=805 nrkeptmult=2176 
Total energy=-2.90274823295  Egs=-1.55987664593
Kept: 805 out of 3549, ratio=0.227
Memory used: 31 MB  Time elapsed: 39 s

 ***** [NRG] Iteration 59/66 (scale 1.3436144598656924e-09) ***** 
[1] xi(58)=1 zeta(59)=0
Stats: nr=40 min=1 max=337 sum3=145863974
Safeguard: keep additional 4 states
Emax=10.1072629392 nrkept=937 nrkeptmult=2517 
Total energy=-2.90274823407  Egs=-0.83194877663
Kept: 937 out of 3068, ratio=0.305
Memory used: 30 MB  Time elapsed: 40 s

 ***** [NRG] Iteration 60/66 (scale 9.5007889587133141e-10) ***** 
[1] xi(59)=1 zeta(60)=0
Stats: nr=40 min=1 max=399 sum3=224190732
Emax=10.0189493815 nrkept=805 nrkeptmult=2176 
Total energy=-2.90274823555  Egs=-1.56260131898
Kept: 805 out of 3564, ratio=0.226
Memory used: 31 MB  Time elapsed: 41 s

 ***** [NRG] Iteration 61/66 (scale 6.7180722993284622e-10) ***** 
[1] xi(60)=1 zeta(61)=0
Stats: nr=40 min=1 max=337 sum3=145863974
Safeguard: keep additional 4 states
Emax=10.0866837487 nrkept=937 nrkeptmult=2517 
Total energy=-2.90274823611  Egs=-0.830096935915
Kept: 937 out of 3068, ratio=0.305
Memory used: 30 MB  Time elapsed: 41 s

 ***** [NRG] Iteration 62/66 (scale 4.750394479356657e-10) ***** 
[1] xi(61)=1 zeta(62)=0
Stats: nr=40 min=1 max=399 sum3=224190732
Emax=10.0131278999 nrkept=805 nrkeptmult=2176 
Total energy=-2.90274823685  Egs=-1.5649930529
Kept: 805 out of 3564, ratio=0.226
Memory used: 31 MB  Time elapsed: 42 s

 ***** [NRG] Iteration 63/66 (scale 3.3590361496642311e-10) ***** 
[1] xi(62)=1 zeta(63)=0
Stats: nr=40 min=1 max=337 sum3=145863974
Safeguard: keep additional 4 states
Emax=10.0684667272 nrkept=937 nrkeptmult=2517 
Total energy=-2.90274823713  Egs=-0.828465927763
Kept: 937 out of 3068, ratio=0.305
Memory used: 31 MB  Time elapsed: 42 s

 ***** [NRG] Iteration 64/66 (scale 2.3751972396783285e-10) ***** 
[1] xi(63)=1 zeta(64)=0
Stats: nr=40 min=1 max=399 sum3=224190732
Emax=10.0078776651 nrkept=805 nrkeptmult=2176 
Total energy=-2.9027482375  Egs=-1.56711058325
Kept: 805 out of 3564, ratio=0.226
Memory used: 32 MB  Time elapsed: 43 s

 ***** [NRG] Iteration 65/66 (scale 1.6795180748321155e-10) ***** 
[1] xi(64)=1 zeta(65)=0
Stats: nr=40 min=1 max=337 sum3=145863974
Safeguard: keep additional 4 states
Emax=10.0522487496 nrkept=937 nrkeptmult=2517 
Total energy=-2.90274823764  Egs=-0.827017799031
Kept: 937 out of 3068, ratio=0.305
Memory used: 31 MB  Time elapsed: 44 s

 ***** [NRG] Iteration 66/66 (scale 1.1875986198391643e-10) ***** 
[1] xi(65)=1 zeta(66)=0
Stats: nr=40 min=1 max=399 sum3=224190732
Emax=10.003134549 nrkept=805 nrkeptmult=2176 
Total energy=-2.90274823783  Egs=-1.56899943502
Kept: 805 out of 3564, ratio=0.226
Memory used: 32 MB  Time elapsed: 44 s

** Iteration completed.


Total energy:             -2.902748237827082
TKW=2.80378229971e-06
Grand canonical Z=              19.32250593927903
Zft (last shell)=               19.28649441944011

Memory usage report
===================
  after diag: 39240 kB
after recalc: 33092 kB
 after split: 41436 kB
  after trim: 33092 kB
 after trunc: 39288 kB
      diag_h: 39240 kB

Peak usage: 41436 kB

Timing report
=============
         All: 44 s
        diag: 38 s
       Other: 6 s
