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=34
TEMPERATURE T=1.90925502733e-10
Nmax=34
Tmin=1e-10
Ninit=0
Lambda=4
strategy=kept
lastall=0
lastalloverride=0
z=0.2
discretization=Z
band=flat
betabar=1
T=1.90925502733e-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=	4.	 BAND=	flat
>>  DISCRETIZATION=	Z	 z=	0.2
>>  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=0.2
# keep=5000 keepenergy=10 Nmax=34 channels=1 dots=1 betabar=1

Number of invariant subspaces: 6
(-2 1) 1 states
0.0127033877934 
(-1 2) 2 states
0.00593422994962 0.0179481903236 
(0 1) 3 states
0 0.0127033877934 0.0238824202732 
(0 3) 1 states
0.0111790324799 
(1 2) 2 states
0.00593422994962 0.0179481903236 
(2 1) 1 states
0.0127033877934 
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 1/34 (scale 1.6400375804233487) ***** 
[1] xi(0)=0.348726356005 zeta(1)=0
Stats: nr=10 min=1 max=8 sum3=1055
Emax=1.39876130914 nrkept=35 nrkeptmult=64 
Total energy=-1.14451055652  Egs=-0.675498234298
Kept: 35 out of 35, ratio=1
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 2/34 (scale 0.82001879021167423) ***** 
[1] xi(1)=0.761689520395 zeta(2)=0
Stats: nr=15 min=1 max=20 sum3=30066
Emax=4.20214335818 nrkept=126 nrkeptmult=256 
Total energy=-1.72041825644  Egs=-0.70231036995
Kept: 126 out of 126, ratio=1
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 3/34 (scale 0.41000939510583712) ***** 
[1] xi(2)=1.39975182727 zeta(3)=0
Stats: nr=21 min=1 max=75 sum3=1007202
Safeguard: keep additional 1 states
Emax=10.2438064737 nrkept=424 nrkeptmult=954 
Total energy=-2.610951325  Egs=-2.17198210381
Kept: 424 out of 462, ratio=0.918
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 4/34 (scale 0.20500469755291859) ***** 
[1] xi(3)=1.26928045929 zeta(4)=0
Stats: nr=28 min=1 max=188 sum3=27321798
Safeguard: keep additional 5 states
Emax=10.6946438402 nrkept=464 nrkeptmult=1068 
Total energy=-2.77483335224  Egs=-0.799406204831
Kept: 464 out of 1578, ratio=0.294
Memory used: 8 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 5/34 (scale 0.10250234877645929) ***** 
[1] xi(4)=1.04373404438 zeta(5)=0
Stats: nr=33 min=1 max=226 sum3=33331851
Safeguard: keep additional 7 states
Emax=10.3704599392 nrkept=278 nrkeptmult=624 
Total energy=-2.94638094471  Egs=-1.67359669812
Kept: 278 out of 1731, ratio=0.161
Memory used: 10 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 6/34 (scale 0.051251174388229646) ***** 
[1] xi(5)=1.00718202892 zeta(6)=0
Stats: nr=28 min=1 max=124 sum3=7779686
Safeguard: keep additional 1 states
Emax=10.0653716462 nrkept=166 nrkeptmult=344 
Total energy=-2.97971620999  Egs=-0.650429296156
Kept: 166 out of 1034, ratio=0.161
Memory used: 11 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 7/34 (scale 0.025625587194114816) ***** 
[1] xi(6)=1.00164812857 zeta(7)=0
Stats: nr=21 min=1 max=97 sum3=2238520
Safeguard: keep additional 1 states
Emax=10.6411357779 nrkept=264 nrkeptmult=594 
Total energy=-3.02013336875  Egs=-1.57721883414
Kept: 264 out of 610, ratio=0.433
Memory used: 11 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 8/34 (scale 0.012812793597057408) ***** 
[1] xi(7)=1.00040580376 zeta(8)=0
Stats: nr=28 min=1 max=116 sum3=6400760
Emax=10.0258994231 nrkept=157 nrkeptmult=323 
Total energy=-3.02903070958  Egs=-0.694410689424
Kept: 157 out of 980, ratio=0.16
Memory used: 12 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 9/34 (scale 0.0064063967985287041) ***** 
[1] xi(8)=1.00010109332 zeta(9)=0
Stats: nr=21 min=1 max=94 sum3=1975880
Emax=10.0126907583 nrkept=207 nrkeptmult=466 
Total energy=-3.03860965679  Egs=-1.49521603281
Kept: 207 out of 578, ratio=0.358
Memory used: 12 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 10/34 (scale 0.003203198399264352) ***** 
[1] xi(9)=1.00002525133 zeta(10)=0
Stats: nr=26 min=1 max=96 sum3=3546484
Emax=10.076089523 nrkept=156 nrkeptmult=320 
Total energy=-3.0409504107  Egs=-0.73075520775
Kept: 156 out of 772, ratio=0.202
Memory used: 12 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 11/34 (scale 0.001601599199632176) ***** 
[1] xi(10)=1.00000631146 zeta(11)=0
Stats: nr=21 min=1 max=93 sum3=1927024
Emax=10.0289640763 nrkept=175 nrkeptmult=398 
Total energy=-3.04323874728  Egs=-1.42878229293
Kept: 175 out of 574, ratio=0.305
Memory used: 12 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 12/34 (scale 0.00080079959981608801) ***** 
[1] xi(11)=1.00000157778 zeta(12)=0
Stats: nr=26 min=1 max=80 sum3=2130806
Safeguard: keep additional 1 states
Emax=10.0943670614 nrkept=120 nrkeptmult=252 
Total energy=-3.0438524404  Egs=-0.766350429793
Kept: 120 out of 650, ratio=0.185
Memory used: 12 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 13/34 (scale 0.000400399799908044) ***** 
[1] xi(12)=1.00000039444 zeta(13)=0
Stats: nr=21 min=1 max=71 sum3=862792
Emax=10.02911852 nrkept=118 nrkeptmult=282 
Total energy=-3.04439580948  Egs=-1.35706632534
Kept: 118 out of 442, ratio=0.267
Memory used: 12 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 14/34 (scale 0.000200199899954022) ***** 
[1] xi(13)=1.00000009861 zeta(14)=0
Stats: nr=25 min=1 max=56 sum3=705050
Emax=10.1741237599 nrkept=87 nrkeptmult=193 
Total energy=-3.04456062987  Egs=-0.823279080454
Kept: 87 out of 446, ratio=0.195
Memory used: 12 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 15/34 (scale 0.000100099949977011) ***** 
[1] xi(14)=1.00000002465 zeta(15)=0
Stats: nr=19 min=1 max=54 sum3=365209
Emax=10.2221730184 nrkept=118 nrkeptmult=282 
Total energy=-3.04468647992  Egs=-1.2572439115
Kept: 118 out of 325, ratio=0.363
Memory used: 12 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 16/34 (scale 5.00499749885055e-05) ***** 
[1] xi(15)=1.00000000616 zeta(16)=0
Stats: nr=25 min=1 max=56 sum3=705050
Emax=10.3298568718 nrkept=87 nrkeptmult=193 
Total energy=-3.04473230234  Egs=-0.915533316811
Kept: 87 out of 446, ratio=0.195
Memory used: 12 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 17/34 (scale 2.502498749425275e-05) ***** 
[1] xi(16)=1.00000000154 zeta(17)=0
Stats: nr=19 min=1 max=54 sum3=365209
Safeguard: keep additional 2 states
Emax=10.078093983 nrkept=116 nrkeptmult=276 
Total energy=-3.04476019019  Egs=-1.11440016532
Kept: 116 out of 325, ratio=0.357
Memory used: 12 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 18/34 (scale 1.2512493747126375e-05) ***** 
[1] xi(17)=1.00000000039 zeta(18)=0
Stats: nr=25 min=1 max=54 sum3=658974
Safeguard: keep additional 2 states
Emax=10.3784021045 nrkept=89 nrkeptmult=195 
Total energy=-3.04477351071  Egs=-1.06457749089
Kept: 89 out of 438, ratio=0.203
Memory used: 12 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 19/34 (scale 6.2562468735631952e-06) ***** 
[1] xi(18)=1.0000000001 zeta(19)=0
Stats: nr=19 min=1 max=54 sum3=376099
Safeguard: keep additional 4 states
Emax=10.0129803232 nrkept=108 nrkeptmult=248 
Total energy=-3.04477928122  Egs=-0.922359638936
Kept: 108 out of 331, ratio=0.326
Memory used: 12 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 20/34 (scale 3.1281234367815976e-06) ***** 
[1] xi(19)=1.00000000002 zeta(20)=0
Stats: nr=25 min=1 max=52 sum3=578038
Safeguard: keep additional 2 states
Emax=10.0160257449 nrkept=83 nrkeptmult=181 
Total energy=-3.0447833201  Egs=-1.2911490678
Kept: 83 out of 406, ratio=0.204
Memory used: 12 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 21/34 (scale 1.5640617183907988e-06) ***** 
[1] xi(20)=1.00000000001 zeta(21)=0
Stats: nr=19 min=1 max=52 sum3=323350
Safeguard: keep additional 1 states
Emax=10.0631761926 nrkept=99 nrkeptmult=226 
Total energy=-3.04478445039  Egs=-0.722663494796
Kept: 99 out of 310, ratio=0.319
Memory used: 12 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 22/34 (scale 7.820308591953994e-07) ***** 
[1] xi(21)=1 zeta(22)=0
Stats: nr=23 min=1 max=48 sum3=453202
Emax=10.1088797511 nrkept=82 nrkeptmult=172 
Total energy=-3.04478565979  Egs=-1.54648869777
Kept: 82 out of 370, ratio=0.222
Memory used: 12 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 23/34 (scale 3.910154295976997e-07) ***** 
[1] xi(22)=1 zeta(23)=0
Stats: nr=21 min=1 max=49 sum3=276656
Safeguard: keep additional 1 states
Emax=10.0720630447 nrkept=87 nrkeptmult=192 
Total energy=-3.04478589371  Egs=-0.598252211427
Kept: 87 out of 302, ratio=0.288
Memory used: 12 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 24/34 (scale 1.9550771479884985e-07) ***** 
[1] xi(23)=1 zeta(24)=0
Stats: nr=23 min=1 max=43 sum3=315220
Safeguard: keep additional 1 states
Emax=10.004437782 nrkept=78 nrkeptmult=162 
Total energy=-3.04478622712  Egs=-1.70531318468
Kept: 78 out of 322, ratio=0.242
Memory used: 12 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 25/34 (scale 9.7753857399424925e-08) ***** 
[1] xi(24)=1 zeta(25)=0
Stats: nr=21 min=1 max=45 sum3=223534
Emax=10.7720329614 nrkept=72 nrkeptmult=148 
Total energy=-3.04478628101  Egs=-0.551335406283
Kept: 72 out of 286, ratio=0.252
Memory used: 12 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 26/34 (scale 4.8876928699712462e-08) ***** 
[1] xi(25)=1 zeta(26)=0
Stats: nr=21 min=1 max=37 sum3=196806
Safeguard: keep additional 1 states
Emax=10.2050407493 nrkept=74 nrkeptmult=154 
Total energy=-3.04478636715  Egs=-1.76232549345
Kept: 74 out of 264, ratio=0.28
Memory used: 12 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 27/34 (scale 2.4438464349856231e-08) ***** 
[1] xi(26)=1 zeta(27)=0
Stats: nr=21 min=1 max=41 sum3=176130
Emax=11.6136798731 nrkept=72 nrkeptmult=148 
Total energy=-3.04478638029  Egs=-0.537832169866
Kept: 72 out of 270, ratio=0.267
Memory used: 12 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 28/34 (scale 1.2219232174928116e-08) ***** 
[1] xi(27)=1 zeta(28)=0
Stats: nr=21 min=1 max=37 sum3=196806
Safeguard: keep additional 1 states
Emax=10.4768090973 nrkept=74 nrkeptmult=154 
Total energy=-3.04478640202  Egs=-1.77816676682
Kept: 74 out of 264, ratio=0.28
Memory used: 12 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 29/34 (scale 6.1096160874640578e-09) ***** 
[1] xi(28)=1 zeta(29)=0
Stats: nr=21 min=1 max=41 sum3=176130
Emax=11.874688926 nrkept=72 nrkeptmult=148 
Total energy=-3.04478640528  Egs=-0.53431688267
Kept: 72 out of 270, ratio=0.267
Memory used: 12 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 30/34 (scale 3.0548080437320289e-09) ***** 
[1] xi(29)=1 zeta(30)=0
Stats: nr=21 min=1 max=37 sum3=196806
Safeguard: keep additional 1 states
Emax=10.5505340331 nrkept=74 nrkeptmult=154 
Total energy=-3.04478641073  Egs=-1.78223754681
Kept: 74 out of 264, ratio=0.28
Memory used: 12 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 31/34 (scale 1.5274040218660144e-09) ***** 
[1] xi(30)=1 zeta(31)=0
Stats: nr=21 min=1 max=41 sum3=176130
Emax=11.9433652276 nrkept=72 nrkeptmult=148 
Total energy=-3.04478641154  Egs=-0.533428693883
Kept: 72 out of 270, ratio=0.267
Memory used: 12 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 32/34 (scale 7.6370201093300722e-10) ***** 
[1] xi(31)=1 zeta(32)=0
Stats: nr=21 min=1 max=37 sum3=196806
Safeguard: keep additional 1 states
Emax=10.5693309534 nrkept=74 nrkeptmult=154 
Total energy=-3.0447864129  Egs=-1.78326233799
Kept: 74 out of 264, ratio=0.28
Memory used: 12 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 33/34 (scale 3.8185100546650361e-10) ***** 
[1] xi(32)=1 zeta(33)=0
Stats: nr=21 min=1 max=41 sum3=176130
Emax=11.9607473307 nrkept=72 nrkeptmult=148 
Total energy=-3.04478641311  Egs=-0.53320604986
Kept: 72 out of 270, ratio=0.267
Memory used: 12 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 34/34 (scale 1.9092550273325181e-10) ***** 
[1] xi(33)=1 zeta(34)=0
Stats: nr=21 min=1 max=37 sum3=196806
Safeguard: keep additional 1 states
Emax=10.5740530142 nrkept=74 nrkeptmult=154 
Total energy=-3.04478641345  Egs=-1.78351898222
Kept: 74 out of 264, ratio=0.28
Memory used: 12 MB  Time elapsed: 0 s

** Iteration completed.


Total energy:             -3.044786413448939
TKW=1.13516470507e-06
Grand canonical Z=              4.417308560699023
Zft (last shell)=               4.416731269496409

Memory usage report
===================
  after diag: 13200 kB
after recalc: 13228 kB
 after split: 13224 kB
  after trim: 13228 kB
 after trunc: 13208 kB
      diag_h: 13200 kB

Peak usage: 13228 kB

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