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  5 2013 at 18:59:39

No MPI: single node calculation.

workdir=.
Tmin=1e-10 -> Nmax=33
TEMPERATURE T=1.78139792976e-10
Nmax=33
Tmin=1e-10
Ninit=0
Lambda=4
strategy=kept
lastall=0
lastalloverride=0
z=0.75
discretization=Z
band=flat
betabar=1
T=1.78139792976e-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=	0.001	 t=	0.
>> 
>>  Gamma^(1/2)=	0.019544100476116797
>>  Lambda=	4.	 BAND=	flat
>>  DISCRETIZATION=	Z	 z=	0.75
>>  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=4 z=0.75
# keep=5000 keepenergy=10 Nmax=33 channels=1 dots=1 betabar=1

Number of invariant subspaces: 6
(-2 1) 1 states
0.0265841429097 
(-1 2) 2 states
0.0124382554976 0.0381160086059 
(0 1) 3 states
0 0.0272355111688 0.0512099067024 
(0 3) 1 states
0.0239701211938 
(1 2) 2 states
0.0130088691072 0.0388524058543 
(2 1) 1 states
0.0278911537677 
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 1/33 (scale 0.76510458494759226) ***** 
[1] xi(0)=0.76384659685 zeta(1)=0
Stats: nr=10 min=1 max=8 sum3=1055
Emax=3.06492057017 nrkept=35 nrkeptmult=64 
Total energy=-1.16849293951  Egs=-1.48059972785
Kept: 35 out of 35, ratio=1
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 2/33 (scale 0.38255229247379613) ***** 
[1] xi(1)=1.03835796029 zeta(2)=0
Stats: nr=15 min=1 max=20 sum3=30066
Emax=7.5063155543 nrkept=126 nrkeptmult=256 
Total energy=-1.43227395261  Egs=-0.689529296509
Kept: 126 out of 126, ratio=1
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 3/33 (scale 0.19127614623689806) ***** 
[1] xi(2)=1.0510904621 zeta(3)=0
Stats: nr=21 min=1 max=75 sum3=1007202
Emax=10.0693827119 nrkept=263 nrkeptmult=589 
Total energy=-1.76053982327  Egs=-1.71618822898
Kept: 263 out of 462, ratio=0.569
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 4/33 (scale 0.095638073118449032) ***** 
[1] xi(3)=1.00917127924 zeta(4)=0
Stats: nr=28 min=1 max=116 sum3=6391852
Emax=11.4638408986 nrkept=261 nrkeptmult=580 
Total energy=-1.82065952448  Egs=-0.628616818064
Kept: 261 out of 976, ratio=0.267
Memory used: 6 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 5/33 (scale 0.047819036559224516) ***** 
[1] xi(4)=1.00135573228 zeta(5)=0
Stats: nr=29 min=1 max=139 sum3=7105402
Emax=10.6108700577 nrkept=263 nrkeptmult=589 
Total energy=-1.89784904133  Egs=-1.61420058626
Kept: 263 out of 970, ratio=0.271
Memory used: 7 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 6/33 (scale 0.023909518279612258) ***** 
[1] xi(5)=1.00028520546 zeta(6)=0
Stats: nr=28 min=1 max=116 sum3=6391852
Emax=10.0057549502 nrkept=157 nrkeptmult=323 
Total energy=-1.91396868816  Egs=-0.67419370992
Kept: 157 out of 976, ratio=0.161
Memory used: 8 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 7/33 (scale 0.011954759139806129) ***** 
[1] xi(6)=1.00006871662 zeta(7)=0
Stats: nr=21 min=1 max=93 sum3=1945688
Emax=10.0727368374 nrkept=227 nrkeptmult=513 
Total energy=-1.93222883097  Egs=-1.52743711514
Kept: 227 out of 578, ratio=0.393
Memory used: 8 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 8/33 (scale 0.0059773795699030645) ***** 
[1] xi(7)=1.00001703192 zeta(8)=0
Stats: nr=26 min=1 max=105 sum3=4575731
Emax=10.0729271303 nrkept=157 nrkeptmult=323 
Total energy=-1.9365348476  Egs=-0.720385342546
Kept: 157 out of 851, ratio=0.184
Memory used: 8 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 9/33 (scale 0.0029886897849515323) ***** 
[1] xi(8)=1.00000424897 zeta(9)=0
Stats: nr=21 min=1 max=93 sum3=1945688
Emax=10.0041570874 nrkept=197 nrkeptmult=442 
Total energy=-1.94086861511  Egs=-1.45005598459
Kept: 197 out of 578, ratio=0.341
Memory used: 9 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 10/33 (scale 0.0014943448924757661) ***** 
[1] xi(9)=1.00000106168 zeta(10)=0
Stats: nr=26 min=1 max=93 sum3=3077343
Emax=10.0016009928 nrkept=140 nrkeptmult=292 
Total energy=-1.94199959131  Egs=-0.7568374677
Kept: 140 out of 735, ratio=0.19
Memory used: 9 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 11/33 (scale 0.00074717244623788307) ***** 
[1] xi(10)=1.00000026539 zeta(11)=0
Stats: nr=21 min=1 max=82 sum3=1343298
Emax=10.0048925807 nrkept=139 nrkeptmult=320 
Total energy=-1.94302973778  Egs=-1.37872652607
Kept: 139 out of 516, ratio=0.269
Memory used: 9 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 12/33 (scale 0.00037358622311894153) ***** 
[1] xi(11)=1.00000006634 zeta(12)=0
Stats: nr=25 min=1 max=66 sum3=1110394
Emax=10.0124381366 nrkept=92 nrkeptmult=200 
Total energy=-1.94333098682  Egs=-0.80637083914
Kept: 92 out of 520, ratio=0.177
Memory used: 9 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 13/33 (scale 0.00018679311155947077) ***** 
[1] xi(12)=1.00000001659 zeta(13)=0
Stats: nr=20 min=1 max=55 sum3=398862
Emax=10.1534561927 nrkept=118 nrkeptmult=282 
Total energy=-1.94357143923  Egs=-1.28726594323
Kept: 118 out of 342, ratio=0.345
Memory used: 9 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 14/33 (scale 9.3396555779735383e-05) ***** 
[1] xi(13)=1.00000000415 zeta(14)=0
Stats: nr=25 min=1 max=56 sum3=705050
Emax=10.16004962 nrkept=87 nrkeptmult=193 
Total energy=-1.9436543131  Egs=-0.887333269432
Kept: 87 out of 446, ratio=0.195
Memory used: 9 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 15/33 (scale 4.6698277889867692e-05) ***** 
[1] xi(14)=1.00000000104 zeta(15)=0
Stats: nr=19 min=1 max=53 sum3=355921
Emax=10.0276701357 nrkept=115 nrkeptmult=272 
Total energy=-1.94370833843  Egs=-1.15690197003
Kept: 115 out of 325, ratio=0.354
Memory used: 9 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 16/33 (scale 2.3349138944933846e-05) ***** 
[1] xi(15)=1.00000000026 zeta(16)=0
Stats: nr=25 min=1 max=54 sum3=654632
Emax=10.2277413961 nrkept=87 nrkeptmult=193 
Total energy=-1.94373212644  Egs=-1.01879606326
Kept: 87 out of 434, ratio=0.2
Memory used: 9 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 17/33 (scale 1.1674569472466923e-05) ***** 
[1] xi(16)=1.00000000006 zeta(17)=0
Stats: nr=19 min=1 max=53 sum3=355921
Emax=10.0147682961 nrkept=108 nrkeptmult=248 
Total energy=-1.94374352809  Egs=-0.976622488871
Kept: 108 out of 325, ratio=0.332
Memory used: 9 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 18/33 (scale 5.8372847362334614e-06) ***** 
[1] xi(17)=1.00000000002 zeta(18)=0
Stats: nr=24 min=1 max=53 sum3=589978
Emax=10.0561659583 nrkept=86 nrkeptmult=192 
Total energy=-1.94375067911  Egs=-1.22505898071
Kept: 86 out of 406, ratio=0.212
Memory used: 9 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 19/33 (scale 2.9186423681167307e-06) ***** 
[1] xi(18)=1 zeta(19)=0
Stats: nr=19 min=1 max=53 sum3=350668
Emax=10.0391488658 nrkept=101 nrkeptmult=232 
Total energy=-1.94375292832  Egs=-0.770636619458
Kept: 101 out of 322, ratio=0.314
Memory used: 9 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 20/33 (scale 1.4593211840583654e-06) ***** 
[1] xi(19)=1 zeta(20)=0
Stats: nr=23 min=1 max=49 sum3=488814
Emax=10.0134171021 nrkept=80 nrkeptmult=170 
Total energy=-1.94375509516  Egs=-1.48482804798
Kept: 80 out of 378, ratio=0.212
Memory used: 9 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 21/33 (scale 7.2966059202918268e-07) ***** 
[1] xi(20)=1 zeta(21)=0
Stats: nr=20 min=1 max=49 sum3=271658
Emax=10.2243130134 nrkept=88 nrkeptmult=194 
Total energy=-1.94375554885  Egs=-0.621783239
Kept: 88 out of 296, ratio=0.297
Memory used: 9 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 22/33 (scale 3.6483029601459134e-07) ***** 
[1] xi(21)=1 zeta(22)=0
Stats: nr=23 min=1 max=44 sum3=323630
Emax=10.0250503249 nrkept=78 nrkeptmult=162 
Total energy=-1.94375616044  Egs=-1.67635064348
Kept: 78 out of 326, ratio=0.239
Memory used: 9 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 23/33 (scale 1.8241514800729567e-07) ***** 
[1] xi(22)=1 zeta(23)=0
Stats: nr=21 min=1 max=45 sum3=223534
Emax=10.3788399439 nrkept=72 nrkeptmult=149 
Total energy=-1.94375626268  Egs=-0.560517105364
Kept: 72 out of 286, ratio=0.252
Memory used: 9 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 24/33 (scale 9.1207574003647835e-08) ***** 
[1] xi(23)=1 zeta(24)=0
Stats: nr=22 min=1 max=37 sum3=193440
Emax=10.0419788812 nrkept=73 nrkeptmult=150 
Total energy=-1.94375642236  Egs=-1.75065530829
Kept: 73 out of 264, ratio=0.277
Memory used: 9 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 25/33 (scale 4.5603787001823918e-08) ***** 
[1] xi(24)=1 zeta(25)=0
Stats: nr=21 min=1 max=41 sum3=173294
Emax=10.0317089181 nrkept=69 nrkeptmult=141 
Total energy=-1.94375644763  Egs=-0.554241697044
Kept: 69 out of 266, ratio=0.259
Memory used: 9 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 26/33 (scale 2.2801893500911959e-08) ***** 
[1] xi(25)=1 zeta(26)=0
Stats: nr=21 min=1 max=37 sum3=186241
Emax=10.4150708581 nrkept=73 nrkeptmult=150 
Total energy=-1.94375648748  Egs=-1.74766484762
Kept: 73 out of 253, ratio=0.289
Memory used: 9 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 27/33 (scale 1.1400946750455979e-08) ***** 
[1] xi(26)=1 zeta(27)=0
Stats: nr=21 min=1 max=41 sum3=173294
Emax=10.0113243358 nrkept=60 nrkeptmult=121 
Total energy=-1.94375649378  Egs=-0.552523001848
Kept: 60 out of 266, ratio=0.226
Memory used: 9 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 28/33 (scale 5.7004733752279897e-09) ***** 
[1] xi(27)=1 zeta(28)=0
Stats: nr=18 min=1 max=35 sum3=132784
Emax=10.4289744438 nrkept=73 nrkeptmult=148 
Total energy=-1.94375650374  Egs=-1.74688713307
Kept: 73 out of 220, ratio=0.332
Memory used: 9 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 29/33 (scale 2.8502366876139948e-09) ***** 
[1] xi(28)=1 zeta(29)=0
Stats: nr=21 min=1 max=41 sum3=172502
Emax=10.0494218486 nrkept=58 nrkeptmult=115 
Total energy=-1.94375650531  Egs=-0.552082501704
Kept: 58 out of 266, ratio=0.218
Memory used: 9 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 30/33 (scale 1.4251183438069974e-09) ***** 
[1] xi(29)=1 zeta(30)=0
Stats: nr=18 min=1 max=34 sum3=119096
Emax=10.4314591889 nrkept=73 nrkeptmult=148 
Total energy=-1.9437565078  Egs=-1.74669066499
Kept: 73 out of 212, ratio=0.344
Memory used: 9 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 31/33 (scale 7.1255917190349871e-10) ***** 
[1] xi(30)=1 zeta(31)=0
Stats: nr=21 min=1 max=41 sum3=172502
Emax=10.0694988437 nrkept=58 nrkeptmult=115 
Total energy=-1.94375650819  Egs=-0.551971700874
Kept: 58 out of 266, ratio=0.218
Memory used: 9 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 32/33 (scale 3.5627958595174936e-10) ***** 
[1] xi(31)=1 zeta(32)=0
Stats: nr=18 min=1 max=34 sum3=119096
Emax=10.4320808936 nrkept=73 nrkeptmult=148 
Total energy=-1.94375650882  Egs=-1.74664140561
Kept: 73 out of 212, ratio=0.344
Memory used: 9 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 33/33 (scale 1.7813979297587468e-10) ***** 
[1] xi(32)=1 zeta(33)=0
Stats: nr=21 min=1 max=41 sum3=172502
Emax=10.0745897258 nrkept=58 nrkeptmult=115 
Total energy=-1.94375650892  Egs=-0.551943960011
Kept: 58 out of 266, ratio=0.218
Memory used: 9 MB  Time elapsed: 0 s

** Iteration completed.


Total energy:             -1.943756508915306
TKW=1.6798333388e-06
Grand canonical Z=              6.586597159780714
Zft (last shell)=                6.58477603230167

Memory usage report
===================
  after diag: 9716 kB
after recalc: 9732 kB
 after split: 9728 kB
  after trim: 9732 kB
 after trunc: 9720 kB
      diag_h: 9716 kB

Peak usage: 9732 kB

Timing report
=============
         All: 0 s
        diag: 0 s
    recalc f: 0 s
       Other: 0 s
