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=1.99955156909e-10
Nmax=33
Tmin=1e-10
Ninit=0
Lambda=4
strategy=kept
lastall=0
lastalloverride=0
z=0.666666666667
discretization=Z
band=flat
betabar=1
T=1.99955156909e-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=	0.666666666666667
>>  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=0.666666666667
# keep=5000 keepenergy=10 Nmax=33 channels=1 dots=1 betabar=1

Number of invariant subspaces: 6
(-2 1) 1 states
0.0242594463514 
(-1 2) 2 states
0.0113324992861 0.0342753576718 
(0 1) 3 states
0 0.0242594463514 0.0456078569579 
(0 3) 1 states
0.0213484106065 
(1 2) 2 states
0.0113324992861 0.0342753576718 
(2 1) 1 states
0.0242594463514 
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 0.8588008595911667) ***** 
[1] xi(0)=0.708355898981 zeta(1)=0
Stats: nr=10 min=1 max=8 sum3=1055
Emax=2.84069564901 nrkept=35 nrkeptmult=64 
Total energy=-1.2172959326  Egs=-1.37473996755
Kept: 35 out of 35, ratio=1
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 2/33 (scale 0.42940042979558335) ***** 
[1] xi(1)=1.04111690384 zeta(2)=0
Stats: nr=15 min=1 max=20 sum3=30066
Emax=7.1424364145 nrkept=126 nrkeptmult=256 
Total energy=-1.53098263309  Egs=-0.73052255824
Kept: 126 out of 126, ratio=1
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 3/33 (scale 0.21470021489779167) ***** 
[1] xi(2)=1.08111394483 zeta(3)=0
Stats: nr=21 min=1 max=75 sum3=1007202
Safeguard: keep additional 3 states
Emax=10.5892421874 nrkept=306 nrkeptmult=690 
Total energy=-1.90500799411  Egs=-1.7420819127
Kept: 306 out of 462, ratio=0.662
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 4/33 (scale 0.10735010744889584) ***** 
[1] xi(3)=1.01866127275 zeta(4)=0
Stats: nr=28 min=1 max=135 sum3=10054692
Safeguard: keep additional 7 states
Emax=11.1303200211 nrkept=268 nrkeptmult=596 
Total energy=-1.97282967285  Egs=-0.631780259439
Kept: 268 out of 1140, ratio=0.235
Memory used: 6 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 5/33 (scale 0.053675053724447919) ***** 
[1] xi(4)=1.00319725635 zeta(5)=0
Stats: nr=29 min=1 max=143 sum3=7719188
Safeguard: keep additional 1 states
Emax=10.6070416884 nrkept=264 nrkeptmult=594 
Total energy=-2.05990716727  Egs=-1.62230847262
Kept: 264 out of 998, ratio=0.265
Memory used: 8 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 6/33 (scale 0.026837526862223959) ***** 
[1] xi(5)=1.00069513709 zeta(6)=0
Stats: nr=28 min=1 max=116 sum3=6400760
Safeguard: keep additional 3 states
Emax=10.0034605515 nrkept=160 nrkeptmult=332 
Total energy=-2.07785901552  Egs=-0.668908440703
Kept: 160 out of 980, ratio=0.163
Memory used: 9 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 7/33 (scale 0.01341876343111198) ***** 
[1] xi(6)=1.00016857391 zeta(7)=0
Stats: nr=21 min=1 max=95 sum3=2064914
Safeguard: keep additional 3 states
Emax=10.0869221245 nrkept=230 nrkeptmult=516 
Total energy=-2.09848382349  Egs=-1.53701256288
Kept: 230 out of 590, ratio=0.39
Memory used: 9 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 8/33 (scale 0.0067093817155559898) ***** 
[1] xi(7)=1.00004184945 zeta(8)=0
Stats: nr=26 min=1 max=106 sum3=4714508
Emax=10.0658357763 nrkept=157 nrkeptmult=323 
Total energy=-2.10326765535  Egs=-0.713006363881
Kept: 157 out of 860, ratio=0.183
Memory used: 9 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 9/33 (scale 0.0033546908577779949) ***** 
[1] xi(8)=1.00001044442 zeta(9)=0
Stats: nr=21 min=1 max=94 sum3=1975880
Emax=10.0367471618 nrkept=205 nrkeptmult=462 
Total energy=-2.10817535202  Egs=-1.46293559429
Kept: 205 out of 578, ratio=0.355
Memory used: 9 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 10/33 (scale 0.0016773454288889975) ***** 
[1] xi(9)=1.00000260999 zeta(10)=0
Stats: nr=26 min=1 max=94 sum3=3355316
Emax=10.2575901891 nrkept=151 nrkeptmult=315 
Total energy=-2.10942626844  Egs=-0.745771501929
Kept: 151 out of 764, ratio=0.198
Memory used: 9 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 11/33 (scale 0.00083867271444449873) ***** 
[1] xi(10)=1.00000065243 zeta(11)=0
Stats: nr=21 min=1 max=90 sum3=1740228
Safeguard: keep additional 3 states
Emax=10.0680302225 nrkept=145 nrkeptmult=330 
Total energy=-2.11059848823  Egs=-1.39770827354
Kept: 145 out of 558, ratio=0.26
Memory used: 9 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 12/33 (scale 0.00041933635722224936) ***** 
[1] xi(11)=1.0000001631 zeta(12)=0
Stats: nr=25 min=1 max=67 sum3=1239486
Safeguard: keep additional 2 states
Emax=10.055744295 nrkept=89 nrkeptmult=195 
Total energy=-2.11092952355  Egs=-0.789426714571
Kept: 89 out of 540, ratio=0.165
Memory used: 9 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 13/33 (scale 0.00020966817861112468) ***** 
[1] xi(12)=1.00000004078 zeta(13)=0
Stats: nr=19 min=1 max=54 sum3=376099
Emax=10.1210255335 nrkept=118 nrkeptmult=282 
Total energy=-2.11120522734  Egs=-1.31495297194
Kept: 118 out of 331, ratio=0.356
Memory used: 9 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 14/33 (scale 0.00010483408930556234) ***** 
[1] xi(13)=1.00000001019 zeta(14)=0
Stats: nr=25 min=1 max=56 sum3=705050
Emax=10.2508719995 nrkept=87 nrkeptmult=193 
Total energy=-2.11129547661  Egs=-0.860877114951
Kept: 87 out of 446, ratio=0.195
Memory used: 9 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 15/33 (scale 5.2417044652781171e-05) ***** 
[1] xi(14)=1.00000000255 zeta(15)=0
Stats: nr=19 min=1 max=54 sum3=365209
Emax=10.0516480851 nrkept=117 nrkeptmult=278 
Total energy=-2.11135820872  Egs=-1.19678828842
Kept: 117 out of 325, ratio=0.36
Memory used: 9 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 16/33 (scale 2.6208522326390585e-05) ***** 
[1] xi(15)=1.00000000064 zeta(16)=0
Stats: nr=25 min=1 max=55 sum3=691126
Safeguard: keep additional 2 states
Emax=10.3661888382 nrkept=89 nrkeptmult=195 
Total energy=-2.11138379651  Egs=-0.976315795087
Kept: 89 out of 442, ratio=0.201
Memory used: 9 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 17/33 (scale 1.3104261163195293e-05) ***** 
[1] xi(16)=1.00000000016 zeta(17)=0
Stats: nr=19 min=1 max=54 sum3=376099
Safeguard: keep additional 2 states
Emax=10.1744542354 nrkept=116 nrkeptmult=276 
Total energy=-2.11139729648  Egs=-1.0301967209
Kept: 116 out of 331, ratio=0.35
Memory used: 9 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 18/33 (scale 6.5521305815976379e-06) ***** 
[1] xi(17)=1.00000000004 zeta(18)=0
Stats: nr=25 min=1 max=54 sum3=658974
Safeguard: keep additional 2 states
Emax=10.3784336632 nrkept=89 nrkeptmult=195 
Total energy=-2.11140490145  Egs=-1.16068668841
Kept: 89 out of 438, ratio=0.203
Memory used: 9 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 19/33 (scale 3.2760652907988189e-06) ***** 
[1] xi(18)=1.00000000001 zeta(19)=0
Stats: nr=19 min=1 max=54 sum3=376099
Safeguard: keep additional 4 states
Emax=10.1528482199 nrkept=106 nrkeptmult=242 
Total energy=-2.11140760319  Egs=-0.824690747546
Kept: 106 out of 331, ratio=0.32
Memory used: 9 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 20/33 (scale 1.6380326453994095e-06) ***** 
[1] xi(19)=1 zeta(20)=0
Stats: nr=25 min=1 max=51 sum3=539576
Safeguard: keep additional 4 states
Emax=10.1293032622 nrkept=83 nrkeptmult=173 
Total energy=-2.11140992044  Egs=-1.41465663778
Kept: 83 out of 398, ratio=0.209
Memory used: 9 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 21/33 (scale 8.1901632269970473e-07) ***** 
[1] xi(20)=1 zeta(21)=0
Stats: nr=21 min=1 max=50 sum3=289961
Safeguard: keep additional 3 states
Emax=10.1430277032 nrkept=92 nrkeptmult=208 
Total energy=-2.11141045491  Egs=-0.65256568611
Kept: 92 out of 305, ratio=0.302
Memory used: 9 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 22/33 (scale 4.0950816134985237e-07) ***** 
[1] xi(21)=1 zeta(22)=0
Stats: nr=23 min=1 max=44 sum3=350958
Safeguard: keep additional 3 states
Emax=10.3623288655 nrkept=83 nrkeptmult=173 
Total energy=-2.11141112519  Egs=-1.63680966765
Kept: 83 out of 342, ratio=0.243
Memory used: 9 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 23/33 (scale 2.0475408067492618e-07) ***** 
[1] xi(22)=1 zeta(23)=0
Stats: nr=21 min=1 max=48 sum3=267870
Safeguard: keep additional 1 states
Emax=10.039014502 nrkept=74 nrkeptmult=158 
Total energy=-2.11141124183  Egs=-0.569646897806
Kept: 74 out of 306, ratio=0.242
Memory used: 9 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 24/33 (scale 1.0237704033746309e-07) ***** 
[1] xi(23)=1 zeta(24)=0
Stats: nr=23 min=1 max=37 sum3=197912
Safeguard: keep additional 1 states
Emax=10.115611882 nrkept=76 nrkeptmult=158 
Total energy=-2.11141142001  Egs=-1.74039434404
Kept: 76 out of 272, ratio=0.279
Memory used: 9 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 25/33 (scale 5.1188520168731546e-08) ***** 
[1] xi(24)=1 zeta(25)=0
Stats: nr=21 min=1 max=43 sum3=198842
Emax=11.27099361 nrkept=72 nrkeptmult=148 
Total energy=-2.1114114478  Egs=-0.542861607653
Kept: 72 out of 278, ratio=0.259
Memory used: 9 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 26/33 (scale 2.5594260084365773e-08) ***** 
[1] xi(25)=1 zeta(26)=0
Stats: nr=21 min=1 max=37 sum3=196806
Safeguard: keep additional 1 states
Emax=10.3733487702 nrkept=74 nrkeptmult=154 
Total energy=-2.11141149316  Egs=-1.77230302467
Kept: 74 out of 264, ratio=0.28
Memory used: 9 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 27/33 (scale 1.2797130042182886e-08) ***** 
[1] xi(26)=1 zeta(27)=0
Stats: nr=21 min=1 max=41 sum3=176130
Emax=11.7768677262 nrkept=72 nrkeptmult=148 
Total energy=-2.11141150001  Egs=-0.535607028731
Kept: 72 out of 270, ratio=0.267
Memory used: 9 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 28/33 (scale 6.3985650210914432e-09) ***** 
[1] xi(27)=1 zeta(28)=0
Stats: nr=21 min=1 max=37 sum3=196806
Safeguard: keep additional 1 states
Emax=10.523349369 nrkept=74 nrkeptmult=154 
Total energy=-2.1114115114  Egs=-1.78074625906
Kept: 74 out of 264, ratio=0.28
Memory used: 9 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 29/33 (scale 3.1992825105457216e-09) ***** 
[1] xi(28)=1 zeta(29)=0
Stats: nr=21 min=1 max=41 sum3=176130
Emax=11.9181366004 nrkept=72 nrkeptmult=148 
Total energy=-2.11141151311  Egs=-0.533753370256
Kept: 72 out of 270, ratio=0.267
Memory used: 9 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 30/33 (scale 1.5996412552728608e-09) ***** 
[1] xi(29)=1 zeta(30)=0
Stats: nr=21 min=1 max=37 sum3=196806
Safeguard: keep additional 1 states
Emax=10.5624521778 nrkept=74 nrkeptmult=154 
Total energy=-2.11141151596  Egs=-1.78288790629
Kept: 74 out of 264, ratio=0.28
Memory used: 9 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 31/33 (scale 7.998206276364304e-10) ***** 
[1] xi(30)=1 zeta(31)=0
Stats: nr=21 min=1 max=41 sum3=176130
Emax=11.9543921275 nrkept=72 nrkeptmult=148 
Total energy=-2.11141151639  Egs=-0.533287354182
Kept: 72 out of 270, ratio=0.267
Memory used: 9 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 32/33 (scale 3.999103138182152e-10) ***** 
[1] xi(31)=1 zeta(32)=0
Stats: nr=21 min=1 max=37 sum3=196806
Safeguard: keep additional 1 states
Emax=10.572328163 nrkept=74 nrkeptmult=154 
Total energy=-2.1114115171  Egs=-1.78342527334
Kept: 74 out of 264, ratio=0.28
Memory used: 9 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 33/33 (scale 1.999551569091076e-10) ***** 
[1] xi(32)=1 zeta(33)=0
Stats: nr=21 min=1 max=41 sum3=176130
Emax=11.9635143244 nrkept=72 nrkeptmult=148 
Total energy=-2.11141151721  Egs=-0.533170685939
Kept: 72 out of 270, ratio=0.267
Memory used: 9 MB  Time elapsed: 0 s

** Iteration completed.


Total energy:             -2.111411517210445
TKW=1.26586722715e-06
Grand canonical Z=              6.708787119156658
Zft (last shell)=               6.708142300910074

Memory usage report
===================
  after diag: 9680 kB
after recalc: 9692 kB
 after split: 9688 kB
  after trim: 9692 kB
 after trunc: 9680 kB
      diag_h: 9680 kB

Peak usage: 9692 kB

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