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=1.18759861984e-10
Nmax=67
Tmin=1e-10
Ninit=0
Lambda=2
strategy=kept
lastall=0
lastalloverride=0
z=0.5
discretization=Z
band=flat
betabar=1
T=1.18759861984e-10
T_ratio=1
Tmin_ratio=-999
keep=5000
keepenergy=10
keepmin=0
keepblock=0
keepzrescale=0
log=
logall=0
logenumber=10
smooth=old
alpha=0.3
omega0=-1
omega0_ratio=1
brcut=0
loggauss_b=0.3
gauss_b=0.1
limitLL=0
eta=0
finite=0
bins=100
discard_trim=1e-16
discard_immediately=1e-16
NN1=0
NN2even=1
NN2avg=0
NNtanh=0
goodE=2
savebins=0
broaden=1
broaden_max=2.5
broaden_min=-99
broaden_min_ratio=3
broaden_ratio=1.05
dumpenergies=0
saveall=0
dumpannotated=0
dumpscaled=1
dumpabs=0
dumpprecision=8
dumpgroups=1
grouptol=1e-06
dumpdiagonal=0
ops=
specs=
specd=
spect=
specb=
reim=0
trsq=
specgt=
gtp=0.7
speci1t=
speci2t=
speckubo=
kubop=0.7
kubor=4
kubob=2
cond=
specchit=
chitp=1
chitp_ratio=-999
dm=0
T0opt=-1
dmnrg=0
cfs=0
fdm=0
fdmexpv=0
fdmexpvn=0
mats=0
nromegan=100
width_td=12
width_custom=12
prec_td=6
prec_custom=6
prec_xy=6
safeguard=1e-05
safeguardmax=200
fixeps=1e-15
diag=dsyev
diagratio=1
dsyevrlimit=100
restart=1
restartfactor=2
checkdiag=0
checkrho=0
calc0=1
tdht=0
spin=2
tri=old
preccpp=2000
checksumrules=0
showEs=0
globalB=0
globalBx=0
polarized=0
pol2x2=0
mpi=0
saveF=0
trunc=
noimag=1
dumpsubspaces=0
done=0
resume=0
forcestop=-1
stopafter=
removefiles=1
store=one

>>  Input file for NRG Ljubljana, Rok Zitko, rok.zitko@ijs.si, 2005-2012
SYMMETRY TYPE: QS
>>  $Id: initial.m,v 1.1 2012/05/15 09:58:19 rokzitko Exp rokzitko $
>>  Using sneg version 	1.233
>>  Model: 	../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=	0.5
>>  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=0.5
# keep=5000 keepenergy=10 Nmax=67 channels=1 dots=0 betabar=1

Number of invariant subspaces: 4
(-1 3) 1 states
0.138629436112 
(0 2) 1 states
0 
(0 4) 1 states
0.207944154168 
(1 3) 1 states
0.138629436112 
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 1/67 (scale 1.0201394465967895) ***** 
[1] xi(0)=0.583569837945 zeta(1)=0
Stats: nr=9 min=1 max=4 sum3=100
Emax=2.35080098564 nrkept=16 nrkeptmult=48 
Total energy=-1.19977273046  Egs=-0.980035360651
Kept: 16 out of 16, ratio=1
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 2/67 (scale 0.72134752044448169) ***** 
[1] xi(1)=0.776754544846 zeta(2)=0
Stats: nr=15 min=1 max=9 sum3=3135
Emax=4.75301711706 nrkept=63 nrkeptmult=192 
Total energy=-1.7421861727  Egs=-0.751944696371
Kept: 63 out of 63, ratio=1
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 3/67 (scale 0.51006972329839473) ***** 
[1] xi(2)=0.992903283056 zeta(3)=0
Stats: nr=22 min=1 max=36 sum3=118866
Emax=9.73560734393 nrkept=246 nrkeptmult=768 
Total energy=-2.48412058515  Egs=-1.45457449944
Kept: 246 out of 246, ratio=1
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 4/67 (scale 0.36067376022224085) ***** 
[1] xi(3)=1.04266411315 zeta(4)=0
Stats: nr=30 min=1 max=100 sum3=4956177
Safeguard: keep additional 1 states
Emax=10.0996655667 nrkept=709 nrkeptmult=2286 
Total energy=-2.84226152558  Egs=-0.992977532417
Kept: 709 out of 957, ratio=0.741
Memory used: 6 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 5/67 (scale 0.25503486164919736) ***** 
[1] xi(4)=1.01328740971 zeta(5)=0
Stats: nr=39 min=1 max=289 sum3=85336110
Emax=10.0102874152 nrkept=1061 nrkeptmult=3393 
Total energy=-3.20206745815  Egs=-1.41081078189
Kept: 1061 out of 2754, ratio=0.385
Memory used: 13 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 6/67 (scale 0.18033688011112042) ***** 
[1] xi(5)=0.999788616061 zeta(6)=0
Stats: nr=46 min=1 max=370 sum3=267681034
Safeguard: keep additional 1 states
Emax=10.0085719076 nrkept=1189 nrkeptmult=3826 
Total energy=-3.37497705503  Egs=-0.958814396525
Kept: 1189 out of 4108, ratio=0.289
Memory used: 17 MB  Time elapsed: 1 s

 ***** [NRG] Iteration 7/67 (scale 0.12751743082459868) ***** 
[1] xi(6)=0.998344002082 zeta(7)=0
Stats: nr=45 min=1 max=467 sum3=375823242
Emax=10.000528257 nrkept=1037 nrkeptmult=3267 
Total energy=-3.55168343946  Egs=-1.38574297879
Kept: 1037 out of 4614, ratio=0.225
Memory used: 18 MB  Time elapsed: 2 s

 ***** [NRG] Iteration 8/67 (scale 0.090168440055560212) ***** 
[1] xi(7)=0.998902918682 zeta(8)=0
Stats: nr=46 min=1 max=372 sum3=264913405
Safeguard: keep additional 1 states
Emax=10.0050804631 nrkept=1083 nrkeptmult=3316 
Total energy=-3.63936912951  Egs=-0.972465421286
Kept: 1083 out of 4021, ratio=0.269
Memory used: 20 MB  Time elapsed: 3 s

 ***** [NRG] Iteration 9/67 (scale 0.063758715412299341) ***** 
[1] xi(8)=0.999398551363 zeta(9)=0
Stats: nr=39 min=1 max=443 sum3=310661070
Safeguard: keep additional 2 states
Emax=10.0001471255 nrkept=994 nrkeptmult=3124 
Total energy=-3.72677326948  Egs=-1.37085791961
Kept: 994 out of 4188, ratio=0.237
Memory used: 24 MB  Time elapsed: 5 s

 ***** [NRG] Iteration 10/67 (scale 0.045084220027780106) ***** 
[1] xi(9)=0.99968731683 zeta(10)=0
Stats: nr=46 min=1 max=357 sum3=232642389
Safeguard: keep additional 1 states
Emax=10.006660297 nrkept=1079 nrkeptmult=3308 
Total energy=-3.77129773845  Egs=-0.987584324283
Kept: 1079 out of 3849, ratio=0.28
Memory used: 24 MB  Time elapsed: 5 s

 ***** [NRG] Iteration 11/67 (scale 0.031879357706149671) ***** 
[1] xi(10)=0.9998407918 zeta(11)=0
Stats: nr=39 min=1 max=441 sum3=306591508
Safeguard: keep additional 4 states
Emax=10.0143880097 nrkept=999 nrkeptmult=3139 
Total energy=-3.81444245416  Egs=-1.35337468559
Kept: 999 out of 4174, ratio=0.239
Memory used: 25 MB  Time elapsed: 6 s

 ***** [NRG] Iteration 12/67 (scale 0.022542110013890053) ***** 
[1] xi(11)=0.99991969299 zeta(12)=0
Stats: nr=46 min=1 max=358 sum3=235537295
Safeguard: keep additional 2 states
Emax=10.0092393698 nrkept=1071 nrkeptmult=3280 
Total energy=-3.83707506463  Egs=-1.00401472863
Kept: 1071 out of 3869, ratio=0.277
Memory used: 25 MB  Time elapsed: 7 s

 ***** [NRG] Iteration 13/67 (scale 0.015939678853074835) ***** 
[1] xi(12)=0.999959672404 zeta(13)=0
Stats: nr=39 min=1 max=437 sum3=299272364
Safeguard: keep additional 2 states
Emax=10.0046209475 nrkept=1000 nrkeptmult=3132 
Total energy=-3.85832692589  Egs=-1.33326784428
Kept: 1000 out of 4142, ratio=0.241
Memory used: 25 MB  Time elapsed: 8 s

 ***** [NRG] Iteration 14/67 (scale 0.011271055006945026) ***** 
[1] xi(13)=0.999979792879 zeta(14)=0
Stats: nr=46 min=1 max=361 sum3=236274005
Emax=10.0295954719 nrkept=1066 nrkeptmult=3258 
Total energy=-3.86985354164  Egs=-1.02267407416
Kept: 1066 out of 3869, ratio=0.276
Memory used: 26 MB  Time elapsed: 9 s

 ***** [NRG] Iteration 15/67 (scale 0.0079698394265374176) ***** 
[1] xi(14)=0.999989885634 zeta(15)=0
Stats: nr=39 min=1 max=436 sum3=295857504
Safeguard: keep additional 2 states
Emax=10.0127631833 nrkept=1013 nrkeptmult=3157 
Total energy=-3.88029680418  Egs=-1.31034792408
Kept: 1013 out of 4122, ratio=0.246
Memory used: 26 MB  Time elapsed: 10 s

 ***** [NRG] Iteration 16/67 (scale 0.0056355275034725132) ***** 
[1] xi(15)=0.999994940118 zeta(16)=0
Stats: nr=46 min=1 max=370 sum3=245828726
Safeguard: keep additional 2 states
Emax=10.0050108419 nrkept=1059 nrkeptmult=3236 
Total energy=-3.88618130503  Egs=-1.04417924378
Kept: 1059 out of 3920, ratio=0.27
Memory used: 26 MB  Time elapsed: 11 s

 ***** [NRG] Iteration 17/67 (scale 0.0039849197132687088) ***** 
[1] xi(16)=0.999997469385 zeta(17)=0
Stats: nr=39 min=1 max=433 sum3=289467614
Safeguard: keep additional 2 states
Emax=10.0031325308 nrkept=1010 nrkeptmult=3142 
Total energy=-3.89129903897  Egs=-1.28427529387
Kept: 1010 out of 4094, ratio=0.247
Memory used: 27 MB  Time elapsed: 12 s

 ***** [NRG] Iteration 18/67 (scale 0.0028177637517362566) ***** 
[1] xi(17)=0.999998734524 zeta(18)=0
Stats: nr=46 min=1 max=370 sum3=243496046
Emax=10.0085947475 nrkept=1046 nrkeptmult=3180 
Total energy=-3.89431145078  Egs=-1.0690789161
Kept: 1046 out of 3908, ratio=0.268
Memory used: 27 MB  Time elapsed: 13 s

 ***** [NRG] Iteration 19/67 (scale 0.0019924598566343544) ***** 
[1] xi(18)=0.99999936722 zeta(19)=0
Stats: nr=39 min=1 max=428 sum3=279887536
Safeguard: keep additional 1 states
Emax=10.0043809809 nrkept=1004 nrkeptmult=3104 
Total energy=-3.89681139025  Egs=-1.25470004282
Kept: 1004 out of 4042, ratio=0.248
Memory used: 28 MB  Time elapsed: 14 s

 ***** [NRG] Iteration 20/67 (scale 0.0014088818758681283) ***** 
[1] xi(19)=0.999999683599 zeta(20)=0
Stats: nr=44 min=1 max=372 sum3=241697738
Safeguard: keep additional 2 states
Emax=10.0101383464 nrkept=1032 nrkeptmult=3136 
Total energy=-3.89835820173  Egs=-1.09790004961
Kept: 1032 out of 3884, ratio=0.266
Memory used: 27 MB  Time elapsed: 15 s

 ***** [NRG] Iteration 21/67 (scale 0.0009962299283171772) ***** 
[1] xi(20)=0.999999841797 zeta(21)=0
Stats: nr=39 min=1 max=420 sum3=267186638
Safeguard: keep additional 2 states
Emax=10.018295934 nrkept=1008 nrkeptmult=3108 
Total energy=-3.89957496796  Egs=-1.2213708831
Kept: 1008 out of 3986, ratio=0.253
Memory used: 28 MB  Time elapsed: 15 s

 ***** [NRG] Iteration 22/67 (scale 0.00070444093793406415) ***** 
[1] xi(21)=0.999999920898 zeta(22)=0
Stats: nr=44 min=1 max=374 sum3=243879963
Safeguard: keep additional 1 states
Emax=10.0070831619 nrkept=1012 nrkeptmult=3076 
Total energy=-3.9003717519  Egs=-1.13108693364
Kept: 1012 out of 3897, ratio=0.26
Memory used: 27 MB  Time elapsed: 16 s

 ***** [NRG] Iteration 23/67 (scale 0.0004981149641585886) ***** 
[1] xi(22)=0.999999960449 zeta(23)=0
Stats: nr=39 min=1 max=412 sum3=252512616
Emax=10.0106217963 nrkept=1001 nrkeptmult=3075 
Total energy=-3.9009616574  Egs=-1.18427579792
Kept: 1001 out of 3906, ratio=0.256
Memory used: 28 MB  Time elapsed: 17 s

 ***** [NRG] Iteration 24/67 (scale 0.00035222046896703208) ***** 
[1] xi(23)=0.999999980224 zeta(24)=0
Stats: nr=44 min=1 max=373 sum3=240746405
Safeguard: keep additional 1 states
Emax=10.0190196675 nrkept=1004 nrkeptmult=3056 
Total energy=-3.9013733515  Egs=-1.16885344041
Kept: 1004 out of 3869, ratio=0.259
Memory used: 27 MB  Time elapsed: 18 s

 ***** [NRG] Iteration 25/67 (scale 0.0002490574820792943) ***** 
[1] xi(24)=0.999999990112 zeta(25)=0
Stats: nr=39 min=1 max=406 sum3=243721312
Safeguard: keep additional 3 states
Emax=10.0112782413 nrkept=998 nrkeptmult=3022 
Total energy=-3.90165823118  Egs=-1.14383104049
Kept: 998 out of 3874, ratio=0.258
Memory used: 28 MB  Time elapsed: 19 s

 ***** [NRG] Iteration 26/67 (scale 0.00017611023448351604) ***** 
[1] xi(25)=0.999999995056 zeta(26)=0
Stats: nr=44 min=1 max=375 sum3=241225776
Safeguard: keep additional 3 states
Emax=10.0007233082 nrkept=987 nrkeptmult=2996 
Total energy=-3.90187149199  Egs=-1.21095066418
Kept: 987 out of 3852, ratio=0.256
Memory used: 28 MB  Time elapsed: 20 s

 ***** [NRG] Iteration 27/67 (scale 0.00012452874103964715) ***** 
[1] xi(26)=0.999999997528 zeta(27)=0
Stats: nr=39 min=1 max=399 sum3=231216908
Safeguard: keep additional 1 states
Emax=10.0094010647 nrkept=1004 nrkeptmult=3020 
Total energy=-3.90200860788  Egs=-1.10107830101
Kept: 1004 out of 3806, ratio=0.264
Memory used: 28 MB  Time elapsed: 21 s

 ***** [NRG] Iteration 28/67 (scale 8.8055117241758019e-05) ***** 
[1] xi(27)=0.999999998764 zeta(28)=0
Stats: nr=44 min=1 max=378 sum3=245743722
Emax=10.007184714 nrkept=965 nrkeptmult=2894 
Total energy=-3.90211924008  Egs=-1.25639712485
Kept: 965 out of 3870, ratio=0.249
Memory used: 29 MB  Time elapsed: 21 s

 ***** [NRG] Iteration 29/67 (scale 6.2264370519823575e-05) ***** 
[1] xi(28)=0.999999999382 zeta(29)=0
Stats: nr=38 min=1 max=394 sum3=221199622
Safeguard: keep additional 1 states
Emax=10.0037614281 nrkept=988 nrkeptmult=2934 
Total energy=-3.90218510141  Egs=-1.05776918293
Kept: 988 out of 3718, ratio=0.266
Memory used: 29 MB  Time elapsed: 22 s

 ***** [NRG] Iteration 30/67 (scale 4.402755862087901e-05) ***** 
[1] xi(29)=0.999999999691 zeta(30)=0
Stats: nr=44 min=1 max=377 sum3=237195322
Safeguard: keep additional 2 states
Emax=10.0204557764 nrkept=944 nrkeptmult=2796 
Total energy=-3.90224248343  Egs=-1.30332039418
Kept: 944 out of 3802, ratio=0.248
Memory used: 29 MB  Time elapsed: 23 s

 ***** [NRG] Iteration 31/67 (scale 3.1132185259911788e-05) ***** 
[1] xi(30)=0.999999999846 zeta(31)=0
Stats: nr=38 min=1 max=388 sum3=211609132
Safeguard: keep additional 3 states
Emax=10.0004539796 nrkept=971 nrkeptmult=2853 
Total energy=-3.90227411891  Egs=-1.01616636773
Kept: 971 out of 3634, ratio=0.267
Memory used: 29 MB  Time elapsed: 24 s

 ***** [NRG] Iteration 32/67 (scale 2.2013779310439505e-05) ***** 
[1] xi(31)=0.999999999923 zeta(32)=0
Stats: nr=42 min=1 max=377 sum3=229525897
Safeguard: keep additional 3 states
Emax=10.0135860604 nrkept=922 nrkeptmult=2692 
Total energy=-3.90230381854  Egs=-1.34913852758
Kept: 922 out of 3733, ratio=0.247
Memory used: 29 MB  Time elapsed: 25 s

 ***** [NRG] Iteration 33/67 (scale 1.5566092629955894e-05) ***** 
[1] xi(32)=0.999999999961 zeta(33)=0
Stats: nr=40 min=1 max=377 sum3=196498392
Safeguard: keep additional 3 states
Emax=10.006191945 nrkept=964 nrkeptmult=2814 
Total energy=-3.90231905001  Egs=-0.978502951922
Kept: 964 out of 3540, ratio=0.272
Memory used: 29 MB  Time elapsed: 25 s

 ***** [NRG] Iteration 34/67 (scale 1.1006889655219752e-05) ***** 
[1] xi(33)=0.999999999981 zeta(34)=0
Stats: nr=42 min=1 max=379 sum3=226139205
Emax=10.0030519305 nrkept=890 nrkeptmult=2576 
Total energy=-3.90233436264  Egs=-1.39118557356
Kept: 890 out of 3705, ratio=0.24
Memory used: 29 MB  Time elapsed: 26 s

 ***** [NRG] Iteration 35/67 (scale 7.7830463149779469e-06) ***** 
[1] xi(34)=0.99999999999 zeta(35)=0
Stats: nr=40 min=1 max=368 sum3=181140940
Safeguard: keep additional 4 states
Emax=10.0078706024 nrkept=923 nrkeptmult=2637 
Total energy=-3.902341728  Egs=-0.9463337483
Kept: 923 out of 3418, ratio=0.27
Memory used: 29 MB  Time elapsed: 27 s

 ***** [NRG] Iteration 36/67 (scale 5.5034448276098762e-06) ***** 
[1] xi(35)=0.999999999995 zeta(36)=0
Stats: nr=42 min=1 max=373 sum3=203422880
Safeguard: keep additional 2 states
Emax=10.0004063176 nrkept=862 nrkeptmult=2448 
Total energy=-3.90234958423  Egs=-1.42751165518
Kept: 862 out of 3536, ratio=0.244
Memory used: 29 MB  Time elapsed: 27 s

 ***** [NRG] Iteration 37/67 (scale 3.8915231574889735e-06) ***** 
[1] xi(36)=0.999999999998 zeta(37)=0
Stats: nr=40 min=1 max=359 sum3=168412646
Safeguard: keep additional 2 states
Emax=10.0060224247 nrkept=902 nrkeptmult=2530 
Total energy=-3.90235316514  Egs=-0.920183080531
Kept: 902 out of 3302, ratio=0.273
Memory used: 29 MB  Time elapsed: 28 s

 ***** [NRG] Iteration 38/67 (scale 2.7517224138049381e-06) ***** 
[1] xi(37)=0.999999999999 zeta(38)=0
Stats: nr=42 min=1 max=372 sum3=193672385
Safeguard: keep additional 3 states
Emax=10.0139393917 nrkept=846 nrkeptmult=2388 
Total energy=-3.90235717536  Egs=-1.45734825597
Kept: 846 out of 3449, ratio=0.245
Memory used: 29 MB  Time elapsed: 29 s

 ***** [NRG] Iteration 39/67 (scale 1.9457615787444867e-06) ***** 
[1] xi(38)=0.999999999999 zeta(39)=0
Stats: nr=40 min=1 max=352 sum3=160015032
Safeguard: keep additional 1 states
Emax=10.0064959406 nrkept=888 nrkeptmult=2460 
Total energy=-3.90235892589  Egs=-0.899664985619
Kept: 888 out of 3240, ratio=0.274
Memory used: 29 MB  Time elapsed: 29 s

 ***** [NRG] Iteration 40/67 (scale 1.3758612069024691e-06) ***** 
[1] xi(39)=1 zeta(40)=0
Stats: nr=42 min=1 max=370 sum3=189055983
Safeguard: keep additional 2 states
Emax=10.0142651397 nrkept=826 nrkeptmult=2296 
Total energy=-3.90236096355  Egs=-1.48100078611
Kept: 826 out of 3393, ratio=0.243
Memory used: 29 MB  Time elapsed: 30 s

 ***** [NRG] Iteration 41/67 (scale 9.7288078937224336e-07) ***** 
[1] xi(40)=1 zeta(41)=0
Stats: nr=40 min=1 max=346 sum3=153298126
Safeguard: keep additional 2 states
Emax=10.0137053264 nrkept=892 nrkeptmult=2436 
Total energy=-3.90236182346  Egs=-0.883881933098
Kept: 892 out of 3160, ratio=0.282
Memory used: 29 MB  Time elapsed: 30 s

 ***** [NRG] Iteration 42/67 (scale 6.8793060345123453e-07) ***** 
[1] xi(41)=1 zeta(42)=0
Stats: nr=40 min=1 max=374 sum3=192351971
Safeguard: keep additional 1 states
Emax=10.0422464185 nrkept=812 nrkeptmult=2246 
Total energy=-3.90236285494  Egs=-1.49939481518
Kept: 812 out of 3401, ratio=0.239
Memory used: 30 MB  Time elapsed: 31 s

 ***** [NRG] Iteration 43/67 (scale 4.8644039468612168e-07) ***** 
[1] xi(42)=1 zeta(43)=0
Stats: nr=40 min=1 max=338 sum3=145360274
Emax=10.0044044232 nrkept=893 nrkeptmult=2437 
Total energy=-3.90236327902  Egs=-0.87180980122
Kept: 893 out of 3104, ratio=0.288
Memory used: 29 MB  Time elapsed: 31 s

 ***** [NRG] Iteration 44/67 (scale 3.4396530172561726e-07) ***** 
[1] xi(43)=1 zeta(44)=0
Stats: nr=40 min=1 max=375 sum3=193041116
Safeguard: keep additional 3 states
Emax=10.0027043638 nrkept=802 nrkeptmult=2200 
Total energy=-3.90236379966  Egs=-1.51362945685
Kept: 802 out of 3404, ratio=0.236
Memory used: 30 MB  Time elapsed: 32 s

 ***** [NRG] Iteration 45/67 (scale 2.4322019734306084e-07) ***** 
[1] xi(44)=1 zeta(45)=0
Stats: nr=40 min=1 max=334 sum3=141407572
Emax=10.0467687306 nrkept=901 nrkeptmult=2449 
Total energy=-3.90236400944  Egs=-0.862527302484
Kept: 901 out of 3064, ratio=0.294
Memory used: 30 MB  Time elapsed: 33 s

 ***** [NRG] Iteration 46/67 (scale 1.7198265086280863e-07) ***** 
[1] xi(45)=1 zeta(46)=0
Stats: nr=40 min=1 max=379 sum3=197528124
Safeguard: keep additional 1 states
Emax=10.058225604 nrkept=796 nrkeptmult=2170 
Total energy=-3.90236427166  Egs=-1.52470900564
Kept: 796 out of 3432, ratio=0.232
Memory used: 30 MB  Time elapsed: 33 s

 ***** [NRG] Iteration 47/67 (scale 1.2161009867153042e-07) ***** 
[1] xi(46)=1 zeta(47)=0
Stats: nr=40 min=1 max=334 sum3=140598232
Emax=10.0285361945 nrkept=901 nrkeptmult=2449 
Total energy=-3.90236437568  Egs=-0.855299595748
Kept: 901 out of 3040, ratio=0.296
Memory used: 30 MB  Time elapsed: 34 s

 ***** [NRG] Iteration 48/67 (scale 8.5991325431404316e-08) ***** 
[1] xi(47)=1 zeta(48)=0
Stats: nr=40 min=1 max=379 sum3=197528124
Safeguard: keep additional 1 states
Emax=10.0244658912 nrkept=796 nrkeptmult=2166 
Total energy=-3.90236450754  Egs=-1.53344222006
Kept: 796 out of 3432, ratio=0.232
Memory used: 30 MB  Time elapsed: 34 s

 ***** [NRG] Iteration 49/67 (scale 6.080504933576521e-08) ***** 
[1] xi(48)=1 zeta(49)=0
Stats: nr=40 min=1 max=336 sum3=141913786
Emax=10.0116113055 nrkept=901 nrkeptmult=2449 
Total energy=-3.9023645592  Egs=-0.849577792414
Kept: 901 out of 3040, ratio=0.296
Memory used: 30 MB  Time elapsed: 35 s

 ***** [NRG] Iteration 50/67 (scale 4.2995662715702158e-08) ***** 
[1] xi(49)=1 zeta(50)=0
Stats: nr=40 min=1 max=379 sum3=197528124
Safeguard: keep additional 1 states
Emax=10.0136318666 nrkept=802 nrkeptmult=2172 
Total energy=-3.90236462543  Egs=-1.54043816114
Kept: 802 out of 3432, ratio=0.234
Memory used: 30 MB  Time elapsed: 36 s

 ***** [NRG] Iteration 51/67 (scale 3.0402524667882605e-08) ***** 
[1] xi(50)=1 zeta(51)=0
Stats: nr=40 min=1 max=336 sum3=143905192
Safeguard: keep additional 1 states
Emax=10.0055212715 nrkept=903 nrkeptmult=2453 
Total energy=-3.90236465112  Egs=-0.84496565214
Kept: 903 out of 3058, ratio=0.295
Memory used: 30 MB  Time elapsed: 36 s

 ***** [NRG] Iteration 52/67 (scale 2.1497831357851079e-08) ***** 
[1] xi(51)=1 zeta(52)=0
Stats: nr=40 min=1 max=381 sum3=199615376
Safeguard: keep additional 1 states
Emax=10.0147568039 nrkept=804 nrkeptmult=2174 
Total energy=-3.90236468436  Egs=-1.54614014404
Kept: 804 out of 3440, ratio=0.234
Memory used: 31 MB  Time elapsed: 37 s

 ***** [NRG] Iteration 53/67 (scale 1.5201262333941303e-08) ***** 
[1] xi(52)=1 zeta(53)=0
Stats: nr=40 min=1 max=336 sum3=144834322
Emax=10.0002993659 nrkept=916 nrkeptmult=2478 
Total energy=-3.90236469715  Egs=-0.841181177067
Kept: 916 out of 3064, ratio=0.299
Memory used: 30 MB  Time elapsed: 37 s

 ***** [NRG] Iteration 54/67 (scale 1.0748915678925539e-08) ***** 
[1] xi(53)=1 zeta(54)=0
Stats: nr=40 min=1 max=388 sum3=208879262
Safeguard: keep additional 1 states
Emax=10.0029663046 nrkept=804 nrkeptmult=2174 
Total energy=-3.90236471382  Egs=-1.55086642973
Kept: 804 out of 3488, ratio=0.231
Memory used: 31 MB  Time elapsed: 38 s

 ***** [NRG] Iteration 55/67 (scale 7.6006311669706513e-09) ***** 
[1] xi(54)=1 zeta(55)=0
Stats: nr=40 min=1 max=336 sum3=144834322
Emax=10.0106199316 nrkept=923 nrkeptmult=2491 
Total energy=-3.90236472019  Egs=-0.838023930477
Kept: 923 out of 3064, ratio=0.301
Memory used: 31 MB  Time elapsed: 39 s

 ***** [NRG] Iteration 56/67 (scale 5.3744578394627697e-09) ***** 
[1] xi(55)=1 zeta(56)=0
Stats: nr=40 min=1 max=393 sum3=215138583
Emax=10.036712312 nrkept=805 nrkeptmult=2176 
Total energy=-3.90236472854  Egs=-1.55484532233
Kept: 805 out of 3513, ratio=0.229
Memory used: 31 MB  Time elapsed: 39 s

 ***** [NRG] Iteration 57/67 (scale 3.8003155834853256e-09) ***** 
[1] xi(56)=1 zeta(57)=0
Stats: nr=40 min=1 max=337 sum3=145863974
Safeguard: keep additional 2 states
Emax=10.0189036605 nrkept=932 nrkeptmult=2512 
Total energy=-3.90236473172  Egs=-0.835350421244
Kept: 932 out of 3068, ratio=0.304
Memory used: 31 MB  Time elapsed: 40 s

 ***** [NRG] Iteration 58/67 (scale 2.6872289197313849e-09) ***** 
[1] xi(57)=1 zeta(58)=0
Stats: nr=40 min=1 max=398 sum3=222658263
Emax=10.0291753644 nrkept=805 nrkeptmult=2176 
Total energy=-3.9023647359  Egs=-1.55824183269
Kept: 805 out of 3549, ratio=0.227
Memory used: 32 MB  Time elapsed: 40 s

 ***** [NRG] Iteration 59/67 (scale 1.9001577917426628e-09) ***** 
[1] xi(58)=1 zeta(59)=0
Stats: nr=40 min=1 max=337 sum3=145863974
Safeguard: keep additional 2 states
Emax=10.0032312699 nrkept=932 nrkeptmult=2512 
Total energy=-3.90236473749  Egs=-0.833056635278
Kept: 932 out of 3068, ratio=0.304
Memory used: 31 MB  Time elapsed: 41 s

 ***** [NRG] Iteration 60/67 (scale 1.3436144598656924e-09) ***** 
[1] xi(59)=1 zeta(60)=0
Stats: nr=40 min=1 max=398 sum3=222658263
Emax=10.0223510297 nrkept=805 nrkeptmult=2176 
Total energy=-3.90236473958  Egs=-1.56117673994
Kept: 805 out of 3549, ratio=0.227
Memory used: 32 MB  Time elapsed: 42 s

 ***** [NRG] Iteration 61/67 (scale 9.5007889587133141e-10) ***** 
[1] xi(60)=1 zeta(61)=0
Stats: nr=40 min=1 max=337 sum3=145863974
Safeguard: keep additional 4 states
Emax=10.0974696795 nrkept=937 nrkeptmult=2517 
Total energy=-3.90236474037  Egs=-0.831065997518
Kept: 937 out of 3068, ratio=0.305
Memory used: 31 MB  Time elapsed: 42 s

 ***** [NRG] Iteration 62/67 (scale 6.7180722993284622e-10) ***** 
[1] xi(61)=1 zeta(62)=0
Stats: nr=40 min=1 max=399 sum3=224190732
Emax=10.0161942815 nrkept=805 nrkeptmult=2176 
Total energy=-3.90236474142  Egs=-1.56373982102
Kept: 805 out of 3564, ratio=0.226
Memory used: 32 MB  Time elapsed: 43 s

 ***** [NRG] Iteration 63/67 (scale 4.750394479356657e-10) ***** 
[1] xi(62)=1 zeta(63)=0
Stats: nr=40 min=1 max=337 sum3=145863974
Safeguard: keep additional 4 states
Emax=10.0780276163 nrkept=937 nrkeptmult=2517 
Total energy=-3.90236474182  Egs=-0.829321175999
Kept: 937 out of 3068, ratio=0.305
Memory used: 31 MB  Time elapsed: 43 s

 ***** [NRG] Iteration 64/67 (scale 3.3590361496642311e-10) ***** 
[1] xi(63)=1 zeta(64)=0
Stats: nr=40 min=1 max=399 sum3=224190732
Emax=10.0106438971 nrkept=805 nrkeptmult=2176 
Total energy=-3.90236474234  Egs=-1.56599892318
Kept: 805 out of 3564, ratio=0.226
Memory used: 32 MB  Time elapsed: 44 s

 ***** [NRG] Iteration 65/67 (scale 2.3751972396783285e-10) ***** 
[1] xi(64)=1 zeta(65)=0
Stats: nr=40 min=1 max=337 sum3=145863974
Safeguard: keep additional 4 states
Emax=10.0607716922 nrkept=937 nrkeptmult=2517 
Total energy=-3.90236474254  Egs=-0.827778509327
Kept: 937 out of 3068, ratio=0.305
Memory used: 31 MB  Time elapsed: 45 s

 ***** [NRG] Iteration 66/67 (scale 1.6795180748321155e-10) ***** 
[1] xi(65)=1 zeta(66)=0
Stats: nr=40 min=1 max=399 sum3=224190732
Emax=10.0056348792 nrkept=805 nrkeptmult=2176 
Total energy=-3.9023647428  Egs=-1.56800617841
Kept: 805 out of 3564, ratio=0.226
Memory used: 32 MB  Time elapsed: 45 s

 ***** [NRG] Iteration 67/67 (scale 1.1875986198391643e-10) ***** 
[1] xi(66)=1 zeta(67)=0
Stats: nr=40 min=1 max=337 sum3=145863974
Safeguard: keep additional 4 states
Emax=10.0453704571 nrkept=937 nrkeptmult=2517 
Total energy=-3.9023647429  Egs=-0.826404196299
Kept: 937 out of 3068, ratio=0.305
Memory used: 32 MB  Time elapsed: 46 s

** Iteration completed.


Total energy:             -3.902364742902574
TKW=2.7395118547e-06
Grand canonical Z=              26.28972791916311
Zft (last shell)=               26.25631054993677

Memory usage report
===================
  after diag: 40220 kB
after recalc: 33524 kB
 after split: 41996 kB
  after trim: 33524 kB
 after trunc: 40276 kB
      diag_h: 40220 kB

Peak usage: 41996 kB

Timing report
=============
         All: 46 s
        diag: 40 s
       Other: 6 s
