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=1.25963855612e-10
Nmax=34
Tmin=1e-10
Ninit=0
Lambda=4
strategy=kept
lastall=0
lastalloverride=0
z=0.5
discretization=Z
band=flat
betabar=1
T=1.25963855612e-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=	0.0041	 t=	0.
>> 
>>  Gamma^(1/2)=	0.019544100476116797
>>  Lambda=	4.	 BAND=	flat
>>  DISCRETIZATION=	Z	 z=	0.5
>>  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=0.5
# keep=5000 keepenergy=10 Nmax=34 channels=1 dots=1 betabar=1

Number of invariant subspaces: 6
(-2 1) 1 states
0.0174472388748 
(-1 2) 2 states
0.00820560900185 0.0262729804394 
(0 1) 3 states
0 0.0193167018874 0.0363983310157 
(0 3) 1 states
0.0170313505665 
(1 2) 2 states
0.00986109061808 0.0284067034102 
(2 1) 1 states
0.0212364434619 
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 1.0820212806667227) ***** 
[1] xi(0)=0.583236763744 zeta(1)=0
Stats: nr=10 min=1 max=8 sum3=1055
Emax=2.34246344299 nrkept=35 nrkeptmult=64 
Total energy=-1.25864958093  Egs=-1.13296571457
Kept: 35 out of 35, ratio=1
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 2/34 (scale 0.54101064033336133) ***** 
[1] xi(1)=1.00512796777 zeta(2)=0
Stats: nr=15 min=1 max=20 sum3=30066
Emax=6.25610668198 nrkept=126 nrkeptmult=256 
Total energy=-1.6856473302  Egs=-0.789259429353
Kept: 126 out of 126, ratio=1
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 3/34 (scale 0.27050532016668066) ***** 
[1] xi(2)=1.15987983857 zeta(3)=0
Stats: nr=21 min=1 max=75 sum3=1007202
Safeguard: keep additional 3 states
Emax=10.3902187338 nrkept=327 nrkeptmult=732 
Total energy=-2.17720598018  Egs=-1.81718662568
Kept: 327 out of 462, ratio=0.708
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 4/34 (scale 0.13525266008334033) ***** 
[1] xi(3)=1.05145618663 zeta(4)=0
Stats: nr=28 min=1 max=146 sum3=12534712
Safeguard: keep additional 1 states
Emax=10.3325754232 nrkept=262 nrkeptmult=580 
Total energy=-2.26544117052  Egs=-0.652373049747
Kept: 262 out of 1216, ratio=0.215
Memory used: 7 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 5/34 (scale 0.067626330041670166) ***** 
[1] xi(4)=1.0092748627 zeta(5)=0
Stats: nr=29 min=1 max=140 sum3=7218656
Emax=10.5994015663 nrkept=263 nrkeptmult=589 
Total energy=-2.3757864024  Egs=-1.63169037579
Kept: 263 out of 974, ratio=0.27
Memory used: 7 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 6/34 (scale 0.033813165020835083) ***** 
[1] xi(5)=1.0019706562 zeta(6)=0
Stats: nr=28 min=1 max=116 sum3=6391852
Emax=10.0645173074 nrkept=165 nrkeptmult=340 
Total energy=-2.3987290112  Egs=-0.678511129626
Kept: 165 out of 976, ratio=0.169
Memory used: 8 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 7/34 (scale 0.016906582510417541) ***** 
[1] xi(6)=1.00047537742 zeta(7)=0
Stats: nr=23 min=1 max=97 sum3=2209770
Emax=10.2393734517 nrkept=245 nrkeptmult=549 
Total energy=-2.42440168697  Egs=-1.51850178806
Kept: 245 out of 606, ratio=0.404
Memory used: 8 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 8/34 (scale 0.0084532912552087707) ***** 
[1] xi(7)=1.00011790809 zeta(8)=0
Stats: nr=27 min=1 max=112 sum3=5439853
Emax=10.0427715071 nrkept=157 nrkeptmult=323 
Total energy=-2.43094630375  Egs=-0.774209309213
Kept: 157 out of 913, ratio=0.172
Memory used: 8 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 9/34 (scale 0.0042266456276043854) ***** 
[1] xi(8)=1.00002942047 zeta(9)=0
Stats: nr=21 min=1 max=93 sum3=1945688
Emax=10.0097301972 nrkept=205 nrkeptmult=464 
Total energy=-2.43668896422  Egs=-1.35868037548
Kept: 205 out of 578, ratio=0.355
Memory used: 8 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 10/34 (scale 0.0021133228138021927) ***** 
[1] xi(9)=1.00000735161 zeta(10)=0
Stats: nr=26 min=1 max=95 sum3=3343216
Emax=10.0961702926 nrkept=138 nrkeptmult=285 
Total energy=-2.43863781198  Egs=-0.922172301681
Kept: 138 out of 766, ratio=0.18
Memory used: 8 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 11/34 (scale 0.0010566614069010963) ***** 
[1] xi(10)=1.00000183768 zeta(11)=0
Stats: nr=21 min=1 max=82 sum3=1331295
Emax=10.0120464676 nrkept=157 nrkeptmult=357 
Total energy=-2.43984648026  Egs=-1.14385579946
Kept: 157 out of 507, ratio=0.31
Memory used: 8 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 12/34 (scale 0.00052833070345054817) ***** 
[1] xi(11)=1.00000045941 zeta(12)=0
Stats: nr=25 min=1 max=79 sum3=1619621
Emax=10.12361299 nrkept=116 nrkeptmult=247 
Total energy=-2.4404494967  Egs=-1.14136171393
Kept: 116 out of 587, ratio=0.198
Memory used: 8 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 13/34 (scale 0.00026416535172527408) ***** 
[1] xi(12)=1.00000011485 zeta(13)=0
Stats: nr=20 min=1 max=69 sum3=815908
Emax=10.0166827583 nrkept=128 nrkeptmult=290 
Total energy=-2.44070143393  Egs=-0.953710341053
Kept: 128 out of 430, ratio=0.298
Memory used: 8 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 14/34 (scale 0.00013208267586263704) ***** 
[1] xi(13)=1.00000002871 zeta(14)=0
Stats: nr=24 min=1 max=65 sum3=918676
Emax=10.1482046572 nrkept=95 nrkeptmult=205 
Total energy=-2.44087528531  Egs=-1.31623150706
Kept: 95 out of 478, ratio=0.199
Memory used: 8 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 15/34 (scale 6.6041337931318521e-05) ***** 
[1] xi(14)=1.00000000718 zeta(15)=0
Stats: nr=20 min=1 max=56 sum3=440152
Emax=10.2266428958 nrkept=101 nrkeptmult=227 
Total energy=-2.44093374982  Egs=-0.885271538496
Kept: 101 out of 352, ratio=0.287
Memory used: 8 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 16/34 (scale 3.3020668965659261e-05) ***** 
[1] xi(15)=1.00000000179 zeta(16)=0
Stats: nr=24 min=1 max=53 sum3=473350
Emax=10.1454813549 nrkept=79 nrkeptmult=166 
Total energy=-2.44097694397  Egs=-1.30809435909
Kept: 79 out of 376, ratio=0.21
Memory used: 8 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 17/34 (scale 1.651033448282963e-05) ***** 
[1] xi(16)=1.00000000045 zeta(17)=0
Stats: nr=20 min=1 max=47 sum3=254511
Emax=10.0323023267 nrkept=75 nrkeptmult=161 
Total energy=-2.44099107135  Egs=-0.855668420849
Kept: 75 out of 291, ratio=0.258
Memory used: 8 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 18/34 (scale 8.2551672414148151e-06) ***** 
[1] xi(17)=1.00000000011 zeta(18)=0
Stats: nr=20 min=1 max=42 sum3=216158
Emax=10.2011324977 nrkept=71 nrkeptmult=148 
Total energy=-2.44100179037  Egs=-1.2984618932
Kept: 71 out of 278, ratio=0.255
Memory used: 8 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 19/34 (scale 4.1275836207074076e-06) ***** 
[1] xi(18)=1.00000000003 zeta(19)=0
Stats: nr=20 min=1 max=42 sum3=181761
Emax=10.0056977639 nrkept=62 nrkeptmult=124 
Total energy=-2.44100528203  Egs=-0.845932944381
Kept: 62 out of 261, ratio=0.238
Memory used: 8 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 20/34 (scale 2.0637918103537038e-06) ***** 
[1] xi(19)=1.00000000001 zeta(20)=0
Stats: nr=19 min=1 max=34 sum3=122243
Emax=10.2817589126 nrkept=68 nrkeptmult=141 
Total energy=-2.44100795444  Egs=-1.29490507834
Kept: 68 out of 227, ratio=0.3
Memory used: 8 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 21/34 (scale 1.0318959051768519e-06) ***** 
[1] xi(20)=1 zeta(21)=0
Stats: nr=20 min=1 max=40 sum3=158031
Emax=10.0061511382 nrkept=58 nrkeptmult=114 
Total energy=-2.44100882459  Egs=-0.843254565742
Kept: 58 out of 249, ratio=0.233
Memory used: 8 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 22/34 (scale 5.1594795258842595e-07) ***** 
[1] xi(21)=1 zeta(22)=0
Stats: nr=19 min=1 max=34 sum3=108620
Emax=10.4519407844 nrkept=68 nrkeptmult=141 
Total energy=-2.44100949218  Egs=-1.293912881
Kept: 68 out of 212, ratio=0.321
Memory used: 8 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 23/34 (scale 2.5797397629421297e-07) ***** 
[1] xi(22)=1 zeta(23)=0
Stats: nr=20 min=1 max=40 sum3=158031
Emax=10.056572967 nrkept=58 nrkeptmult=114 
Total energy=-2.44100970954  Egs=-0.84256721
Kept: 58 out of 249, ratio=0.233
Memory used: 8 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 24/34 (scale 1.2898698814710649e-07) ***** 
[1] xi(23)=1 zeta(24)=0
Stats: nr=19 min=1 max=34 sum3=108620
Emax=10.4960265314 nrkept=68 nrkeptmult=141 
Total energy=-2.44100987641  Egs=-1.29365714554
Kept: 68 out of 212, ratio=0.321
Memory used: 8 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 25/34 (scale 6.4493494073553243e-08) ***** 
[1] xi(24)=1 zeta(25)=0
Stats: nr=20 min=1 max=40 sum3=158031
Emax=10.069457785 nrkept=58 nrkeptmult=114 
Total energy=-2.44100993074  Egs=-0.842394577269
Kept: 58 out of 249, ratio=0.233
Memory used: 8 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 26/34 (scale 3.2246747036776622e-08) ***** 
[1] xi(25)=1 zeta(26)=0
Stats: nr=19 min=1 max=34 sum3=108620
Emax=10.5071426591 nrkept=68 nrkeptmult=141 
Total energy=-2.44100997245  Egs=-1.29359224142
Kept: 68 out of 212, ratio=0.321
Memory used: 8 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 27/34 (scale 1.6123373518388311e-08) ***** 
[1] xi(26)=1 zeta(27)=0
Stats: nr=20 min=1 max=40 sum3=158031
Emax=10.0726950864 nrkept=58 nrkeptmult=114 
Total energy=-2.44100998603  Egs=-0.842351739
Kept: 58 out of 249, ratio=0.233
Memory used: 8 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 28/34 (scale 8.0616867591941554e-09) ***** 
[1] xi(27)=1 zeta(28)=0
Stats: nr=19 min=1 max=34 sum3=108620
Emax=10.5099277221 nrkept=68 nrkeptmult=141 
Total energy=-2.44100999646  Egs=-1.29357548346
Kept: 68 out of 212, ratio=0.321
Memory used: 8 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 29/34 (scale 4.0308433795970777e-09) ***** 
[1] xi(28)=1 zeta(29)=0
Stats: nr=20 min=1 max=40 sum3=158031
Emax=10.0735036859 nrkept=58 nrkeptmult=114 
Total energy=-2.44100999986  Egs=-0.842341419747
Kept: 58 out of 249, ratio=0.233
Memory used: 8 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 30/34 (scale 2.0154216897985389e-09) ***** 
[1] xi(29)=1 zeta(30)=0
Stats: nr=19 min=1 max=34 sum3=108620
Emax=10.5106245373 nrkept=68 nrkeptmult=141 
Total energy=-2.44101000246  Egs=-1.29357078982
Kept: 68 out of 212, ratio=0.321
Memory used: 8 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 31/34 (scale 1.0077108448992694e-09) ***** 
[1] xi(30)=1 zeta(31)=0
Stats: nr=20 min=1 max=40 sum3=158031
Emax=10.0737040546 nrkept=58 nrkeptmult=114 
Total energy=-2.44101000331  Egs=-0.842339234624
Kept: 58 out of 249, ratio=0.233
Memory used: 8 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 32/34 (scale 5.0385542244963471e-10) ***** 
[1] xi(31)=1 zeta(32)=0
Stats: nr=19 min=1 max=34 sum3=108620
Emax=10.5107989493 nrkept=68 nrkeptmult=141 
Total energy=-2.44101000396  Egs=-1.29356911404
Kept: 68 out of 212, ratio=0.321
Memory used: 8 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 33/34 (scale 2.5192771122481736e-10) ***** 
[1] xi(32)=1 zeta(33)=0
Stats: nr=20 min=1 max=40 sum3=158031
Emax=10.0737523007 nrkept=58 nrkeptmult=114 
Total energy=-2.44101000418  Egs=-0.842339083296
Kept: 58 out of 249, ratio=0.233
Memory used: 8 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 34/34 (scale 1.2596385561240868e-10) ***** 
[1] xi(33)=1 zeta(34)=0
Stats: nr=19 min=1 max=34 sum3=108620
Safeguard: keep additional 2 states
Emax=10.510849537 nrkept=70 nrkeptmult=145 
Total energy=-2.44101000434  Egs=-1.29356819285
Kept: 70 out of 212, ratio=0.33
Memory used: 8 MB  Time elapsed: 0 s

** Iteration completed.


Total energy:             -2.441010004338903
TKW=8.36018827301e-05
Grand canonical Z=              4.611314104500246
Zft (last shell)=               4.610775157712387

Memory usage report
===================
  after diag: 9064 kB
after recalc: 9080 kB
 after split: 9076 kB
  after trim: 9080 kB
 after trunc: 9064 kB
      diag_h: 9064 kB

Peak usage: 9080 kB

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