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=	0.00159155	 Delta=	0	 t=	0.
>> 
>>  Gamma^(1/2)=	0.03183099430918902
>>  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
0.0432692852633 
(-1 2) 2 states
0.0207697350013 0.0625013083804 
(0 1) 3 states
0 0.0432692852633 0.0832710433817 
(0 3) 1 states
0.0400017581184 
(1 2) 2 states
0.0207697350013 0.0625013083804 
(2 1) 1 states
0.0432692852633 
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=3.06641173445 nrkept=35 nrkeptmult=64 
Total energy=-1.17056283868  Egs=-1.44993482385
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=7.58122362363 nrkept=126 nrkeptmult=256 
Total energy=-1.44760723849  Egs=-0.724200077361
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
Safeguard: keep additional 1 states
Emax=10.0828345005 nrkept=264 nrkeptmult=594 
Total energy=-1.76341559134  Egs=-1.65105978486
Kept: 264 out of 462, ratio=0.571
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=6400760
Safeguard: keep additional 1 states
Emax=11.4763318341 nrkept=262 nrkeptmult=584 
Total energy=-1.82987645194  Egs=-0.694920531392
Kept: 262 out of 980, 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=7145444
Safeguard: keep additional 1 states
Emax=10.6692491591 nrkept=264 nrkeptmult=594 
Total energy=-1.90145306623  Egs=-1.49682259293
Kept: 264 out of 974, 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=6400760
Emax=10.043194903 nrkept=157 nrkeptmult=323 
Total energy=-1.9204063893  Egs=-0.792710369649
Kept: 157 out of 980, ratio=0.16
Memory used: 7 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=94 sum3=1975880
Safeguard: keep additional 2 states
Emax=10.0205083498 nrkept=209 nrkeptmult=476 
Total energy=-1.93633355342  Egs=-1.33228649199
Kept: 209 out of 578, ratio=0.362
Memory used: 7 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=95 sum3=3507342
Emax=10.222283706 nrkept=157 nrkeptmult=323 
Total energy=-1.94180211158  Egs=-0.914875505512
Kept: 157 out of 780, ratio=0.201
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=94 sum3=1975880
Safeguard: keep additional 2 states
Emax=10.0410687132 nrkept=184 nrkeptmult=412 
Total energy=-1.94522912516  Egs=-1.14666085596
Kept: 184 out of 578, ratio=0.318
Memory used: 8 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 10/33 (scale 0.0014943448924757661) ***** 
[1] xi(9)=1.00000106168 zeta(10)=0
Stats: nr=25 min=1 max=87 sum3=2624912
Safeguard: keep additional 1 states
Emax=10.0996086978 nrkept=132 nrkeptmult=276 
Total energy=-1.94681804786  Egs=-1.06329047892
Kept: 132 out of 686, ratio=0.192
Memory used: 8 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=77 sum3=1123243
Safeguard: keep additional 3 states
Emax=10.1217592365 nrkept=135 nrkeptmult=304 
Total energy=-1.94752002875  Egs=-0.939516566278
Kept: 135 out of 487, ratio=0.277
Memory used: 8 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=63 sum3=1015930
Safeguard: keep additional 1 states
Emax=10.2186662007 nrkept=100 nrkeptmult=212 
Total energy=-1.94799871834  Egs=-1.28133631212
Kept: 100 out of 502, ratio=0.199
Memory used: 8 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 13/33 (scale 0.00018679311155947077) ***** 
[1] xi(12)=1.00000001659 zeta(13)=0
Stats: nr=21 min=1 max=59 sum3=492184
Emax=10.048814276 nrkept=101 nrkeptmult=232 
Total energy=-1.94813568456  Egs=-0.733250896324
Kept: 101 out of 370, ratio=0.273
Memory used: 8 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 14/33 (scale 9.3396555779735383e-05) ***** 
[1] xi(13)=1.00000000415 zeta(14)=0
Stats: nr=23 min=1 max=49 sum3=488814
Safeguard: keep additional 3 states
Emax=10.1520800101 nrkept=86 nrkeptmult=180 
Total energy=-1.94827915648  Egs=-1.53615862099
Kept: 86 out of 378, ratio=0.228
Memory used: 8 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 15/33 (scale 4.6698277889867692e-05) ***** 
[1] xi(14)=1.00000000104 zeta(15)=0
Stats: nr=21 min=1 max=51 sum3=312552
Safeguard: keep additional 2 states
Emax=10.450879723 nrkept=90 nrkeptmult=198 
Total energy=-1.94830730428  Egs=-0.602758689628
Kept: 90 out of 318, ratio=0.283
Memory used: 8 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 16/33 (scale 2.3349138944933846e-05) ***** 
[1] xi(15)=1.00000000026 zeta(16)=0
Stats: nr=23 min=1 max=45 sum3=353050
Emax=10.3469956825 nrkept=79 nrkeptmult=165 
Total energy=-1.94834701187  Egs=-1.70060219079
Kept: 79 out of 334, ratio=0.237
Memory used: 8 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 17/33 (scale 1.1674569472466923e-05) ***** 
[1] xi(16)=1.00000000006 zeta(17)=0
Stats: nr=21 min=1 max=46 sum3=235436
Emax=10.7014143332 nrkept=72 nrkeptmult=148 
Total energy=-1.94835346455  Egs=-0.552711701069
Kept: 72 out of 290, ratio=0.248
Memory used: 8 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 18/33 (scale 5.8372847362334614e-06) ***** 
[1] xi(17)=1.00000000002 zeta(18)=0
Stats: nr=21 min=1 max=37 sum3=196806
Safeguard: keep additional 1 states
Emax=10.1801825998 nrkept=74 nrkeptmult=154 
Total energy=-1.9483637435  Egs=-1.76091434595
Kept: 74 out of 264, ratio=0.28
Memory used: 8 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 19/33 (scale 2.9186423681167307e-06) ***** 
[1] xi(18)=1 zeta(19)=0
Stats: nr=21 min=1 max=41 sum3=176130
Emax=11.5885564586 nrkept=72 nrkeptmult=148 
Total energy=-1.94836531431  Egs=-0.538197536111
Kept: 72 out of 270, ratio=0.267
Memory used: 8 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 20/33 (scale 1.4593211840583654e-06) ***** 
[1] xi(19)=1 zeta(20)=0
Stats: nr=21 min=1 max=37 sum3=196806
Safeguard: keep additional 1 states
Emax=10.4697224715 nrkept=74 nrkeptmult=154 
Total energy=-1.94836790869  Egs=-1.77779686418
Kept: 74 out of 264, ratio=0.28
Memory used: 8 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 21/33 (scale 7.2966059202918268e-07) ***** 
[1] xi(20)=1 zeta(21)=0
Stats: nr=21 min=1 max=41 sum3=176130
Emax=11.8678454269 nrkept=72 nrkeptmult=148 
Total energy=-1.94836829862  Egs=-0.534409696765
Kept: 72 out of 270, ratio=0.267
Memory used: 8 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 22/33 (scale 3.6483029601459134e-07) ***** 
[1] xi(21)=1 zeta(22)=0
Stats: nr=21 min=1 max=37 sum3=196806
Safeguard: keep additional 1 states
Emax=10.548705819 nrkept=74 nrkeptmult=154 
Total energy=-1.9483689488  Egs=-1.78214395628
Kept: 74 out of 264, ratio=0.28
Memory used: 8 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=41 sum3=176130
Emax=11.9416187642 nrkept=72 nrkeptmult=148 
Total energy=-1.94836904611  Egs=-0.533451992034
Kept: 72 out of 270, ratio=0.267
Memory used: 8 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 24/33 (scale 9.1207574003647835e-08) ***** 
[1] xi(23)=1 zeta(24)=0
Stats: nr=21 min=1 max=37 sum3=196806
Safeguard: keep additional 1 states
Emax=10.5688703563 nrkept=74 nrkeptmult=154 
Total energy=-1.94836920876  Egs=-1.78323886996
Kept: 74 out of 264, ratio=0.28
Memory used: 8 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=176130
Emax=11.9603084929 nrkept=72 nrkeptmult=148 
Total energy=-1.94836923308  Egs=-0.533211880352
Kept: 72 out of 270, ratio=0.267
Memory used: 8 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=196806
Safeguard: keep additional 1 states
Emax=10.5739376435 nrkept=74 nrkeptmult=154 
Total energy=-1.94836927374  Egs=-1.78351311081
Kept: 74 out of 264, ratio=0.28
Memory used: 8 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=176130
Emax=11.9649962721 nrkept=72 nrkeptmult=148 
Total energy=-1.94836927982  Egs=-0.533151809387
Kept: 72 out of 270, ratio=0.267
Memory used: 8 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 28/33 (scale 5.7004733752279897e-09) ***** 
[1] xi(27)=1 zeta(28)=0
Stats: nr=21 min=1 max=37 sum3=196806
Safeguard: keep additional 1 states
Emax=10.5752060984 nrkept=74 nrkeptmult=154 
Total energy=-1.94836928999  Egs=-1.78358170306
Kept: 74 out of 264, ratio=0.28
Memory used: 8 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=176130
Emax=11.9661691745 nrkept=72 nrkeptmult=148 
Total energy=-1.94836929151  Egs=-0.533136788959
Kept: 72 out of 270, ratio=0.267
Memory used: 8 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 30/33 (scale 1.4251183438069974e-09) ***** 
[1] xi(29)=1 zeta(30)=0
Stats: nr=21 min=1 max=37 sum3=196806
Safeguard: keep additional 1 states
Emax=10.575523314 nrkept=74 nrkeptmult=154 
Total energy=-1.94836929405  Egs=-1.78359885312
Kept: 74 out of 264, ratio=0.28
Memory used: 8 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=176130
Safeguard: keep additional 10 states
Emax=11.9664850945 nrkept=82 nrkeptmult=182 
Total energy=-1.94836929443  Egs=-0.533133033686
Kept: 82 out of 270, ratio=0.304
Memory used: 8 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 32/33 (scale 3.5627958595174936e-10) ***** 
[1] xi(31)=1 zeta(32)=0
Stats: nr=23 min=1 max=40 sum3=253576
Safeguard: keep additional 1 states
Emax=10.575590476 nrkept=74 nrkeptmult=154 
Total energy=-1.94836929507  Egs=-1.78360314075
Kept: 74 out of 304, ratio=0.243
Memory used: 8 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=176130
Safeguard: keep additional 10 states
Emax=11.9665459682 nrkept=82 nrkeptmult=182 
Total energy=-1.94836929516  Egs=-0.53313209495
Kept: 82 out of 270, ratio=0.304
Memory used: 8 MB  Time elapsed: 0 s

** Iteration completed.


Total energy:             -1.948369295160531
TKW=0.000141410616208
Grand canonical Z=              6.708526435277933
Zft (last shell)=               6.708094602326828

Memory usage report
===================
  after diag: 8472 kB
after recalc: 8480 kB
 after split: 8476 kB
  after trim: 8480 kB
 after trunc: 8472 kB
      diag_h: 8472 kB

Peak usage: 8480 kB

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