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=	0.0044	 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
0.0173217958212 
(-1 2) 2 states
0.00815081037932 0.0262155223909 
(0 1) 3 states
0 0.0193261232077 0.0364284688429 
(0 3) 1 states
0.017044536949 
(1 2) 2 states
0.00992762974547 0.028505166484 
(2 1) 1 states
0.0213882592805 
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=2.34274044729 nrkept=35 nrkeptmult=64 
Total energy=-1.25834958471  Egs=-1.13293934529
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=6.25629094441 nrkept=126 nrkeptmult=256 
Total energy=-1.68538793025  Egs=-0.789334467204
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=10.3902170507 nrkept=327 nrkeptmult=732 
Total energy=-2.17690601782  Egs=-1.81703667518
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=10.3325722286 nrkept=262 nrkeptmult=580 
Total energy=-2.26520589456  Egs=-0.652851313125
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=10.5993772732 nrkept=263 nrkeptmult=589 
Total energy=-2.37548689429  Egs=-1.63074056605
Kept: 263 out of 974, ratio=0.27
Memory used: 8 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=10.0632217545 nrkept=165 nrkeptmult=340 
Total energy=-2.39851839547  Egs=-0.681140057689
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=10.252700944 nrkept=245 nrkeptmult=549 
Total energy=-2.42410608523  Egs=-1.5134749882
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=10.0424784652 nrkept=157 nrkeptmult=323 
Total energy=-2.43074909953  Egs=-0.785849451472
Kept: 157 out of 913, ratio=0.172
Memory used: 9 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=10.0015396424 nrkept=207 nrkeptmult=466 
Total energy=-2.43640967227  Egs=-1.33925889167
Kept: 207 out of 578, ratio=0.358
Memory used: 9 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=3402394
Emax=10.1195187408 nrkept=138 nrkeptmult=285 
Total energy=-2.43844287241  Egs=-0.962086876481
Kept: 138 out of 772, ratio=0.179
Memory used: 9 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=10.0113503807 nrkept=153 nrkeptmult=345 
Total energy=-2.4396432489  Egs=-1.13600864061
Kept: 153 out of 507, ratio=0.302
Memory used: 9 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=78 sum3=1519849
Emax=10.0317293009 nrkept=114 nrkeptmult=244 
Total energy=-2.44025463135  Egs=-1.15719651436
Kept: 114 out of 571, ratio=0.2
Memory used: 9 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=67 sum3=757725
Emax=10.0630982904 nrkept=121 nrkeptmult=269 
Total energy=-2.44052478428  Egs=-1.02266602409
Kept: 121 out of 423, ratio=0.286
Memory used: 9 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=64 sum3=816096
Emax=10.0490376716 nrkept=92 nrkeptmult=197 
Total energy=-2.44068199396  Egs=-1.1902369742
Kept: 92 out of 450, ratio=0.204
Memory used: 9 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=54 sum3=396574
Emax=10.1491362856 nrkept=93 nrkeptmult=207 
Total energy=-2.44074595171  Egs=-0.968450212926
Kept: 93 out of 340, ratio=0.274
Memory used: 9 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=51 sum3=381622
Emax=10.053068255 nrkept=74 nrkeptmult=157 
Total energy=-2.44078502029  Egs=-1.18315530455
Kept: 74 out of 346, ratio=0.214
Memory used: 9 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=43 sum3=206067
Emax=10.0785098221 nrkept=70 nrkeptmult=147 
Total energy=-2.44080069002  Egs=-0.949086276194
Kept: 70 out of 273, ratio=0.256
Memory used: 9 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=40 sum3=171636
Emax=10.06853389 nrkept=67 nrkeptmult=140 
Total energy=-2.44081040811  Egs=-1.17721299883
Kept: 67 out of 258, ratio=0.26
Memory used: 9 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=40 sum3=155592
Emax=10.0568323225 nrkept=60 nrkeptmult=120 
Total energy=-2.44081430267  Egs=-0.94354472052
Kept: 60 out of 246, ratio=0.244
Memory used: 9 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=35 sum3=112972
Emax=10.0076088103 nrkept=64 nrkeptmult=132 
Total energy=-2.44081672809  Egs=-1.17522564843
Kept: 64 out of 220, ratio=0.291
Memory used: 9 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=38 sum3=135721
Emax=10.076683008 nrkept=58 nrkeptmult=116 
Total energy=-2.44081770025  Egs=-0.942104533211
Kept: 58 out of 235, ratio=0.247
Memory used: 9 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=33 sum3=100508
Emax=10.0386995986 nrkept=61 nrkeptmult=125 
Total energy=-2.44081830633  Egs=-1.17468980941
Kept: 61 out of 212, ratio=0.288
Memory used: 9 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=35 sum3=113342
Emax=10.1264066955 nrkept=58 nrkeptmult=116 
Total energy=-2.44081854927  Egs=-0.941740879198
Kept: 58 out of 224, ratio=0.259
Memory used: 9 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=33 sum3=100508
Emax=10.0656961669 nrkept=61 nrkeptmult=125 
Total energy=-2.44081870077  Egs=-1.17455310642
Kept: 61 out of 212, ratio=0.288
Memory used: 9 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=35 sum3=113342
Emax=10.1390466456 nrkept=58 nrkeptmult=116 
Total energy=-2.4408187615  Egs=-0.941649824661
Kept: 58 out of 224, ratio=0.259
Memory used: 9 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=33 sum3=100508
Emax=10.0724739297 nrkept=61 nrkeptmult=125 
Total energy=-2.44081879938  Egs=-1.1745186526
Kept: 61 out of 212, ratio=0.288
Memory used: 9 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=35 sum3=113342
Emax=10.1422197943 nrkept=58 nrkeptmult=116 
Total energy=-2.44081881456  Egs=-0.941627143584
Kept: 58 out of 224, ratio=0.259
Memory used: 9 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=33 sum3=100508
Emax=10.0741703649 nrkept=61 nrkeptmult=125 
Total energy=-2.44081882403  Egs=-1.17450991717
Kept: 61 out of 212, ratio=0.288
Memory used: 9 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=35 sum3=113342
Emax=10.143013673 nrkept=58 nrkeptmult=116 
Total energy=-2.44081882782  Egs=-0.941621570846
Kept: 58 out of 224, ratio=0.259
Memory used: 9 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=33 sum3=100508
Emax=10.0745947553 nrkept=61 nrkeptmult=125 
Total energy=-2.44081883019  Egs=-1.1745076209
Kept: 61 out of 212, ratio=0.288
Memory used: 9 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=35 sum3=113342
Emax=10.1432119155 nrkept=58 nrkeptmult=116 
Total energy=-2.44081883114  Egs=-0.941620276364
Kept: 58 out of 224, ratio=0.259
Memory used: 9 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=33 sum3=100508
Safeguard: keep additional 3 states
Emax=10.0747107207 nrkept=64 nrkeptmult=132 
Total energy=-2.44081883173  Egs=-1.17450693496
Kept: 64 out of 212, ratio=0.302
Memory used: 9 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=38 sum3=135721
Safeguard: keep additional 1 states
Emax=10.1432611909 nrkept=59 nrkeptmult=118 
Total energy=-2.44081883197  Egs=-0.941620052197
Kept: 59 out of 235, ratio=0.251
Memory used: 9 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=106482
Safeguard: keep additional 5 states
Emax=10.0747333144 nrkept=66 nrkeptmult=136 
Total energy=-2.44081883212  Egs=-1.17450665171
Kept: 66 out of 216, ratio=0.306
Memory used: 10 MB  Time elapsed: 0 s

** Iteration completed.


Total energy:             -2.440818832117222
TKW=0.000146031413831
Grand canonical Z=              4.735797089445891
Zft (last shell)=               4.735113975227552

Memory usage report
===================
  after diag: 10236 kB
after recalc: 10252 kB
 after split: 10244 kB
  after trim: 10252 kB
 after trunc: 10236 kB
      diag_h: 10236 kB

Peak usage: 10252 kB

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