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=1.25963855612e-10
Nmax=33
Tmin=1e-10
Ninit=0
Lambda=4
strategy=kept
lastall=0
lastalloverride=0
z=1
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=	0.000445634	 Delta=	0	 t=	0.
>> 
>>  Gamma^(1/2)=	0.016843378985205278
>>  Lambda=	4.	 BAND=	flat
>>  DISCRETIZATION=	Z	 z=	1.
>>  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=1
# keep=5000 keepenergy=10 Nmax=33 channels=1 dots=1 betabar=1

Number of invariant subspaces: 6
(-2 1) 1 states
0.0335292823359 
(-1 2) 2 states
0.0154816695559 0.0469559139122 
(0 1) 3 states
0 0.0335292823359 0.0624375834681 
(0 3) 1 states
0.0289083011322 
(1 2) 2 states
0.0154816695559 0.0469559139122 
(2 1) 1 states
0.0335292823359 
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 0.54101064033336133) ***** 
[1] xi(0)=0.872871560944 zeta(1)=0
Stats: nr=10 min=1 max=8 sum3=1055
Emax=3.50292516264 nrkept=35 nrkeptmult=64 
Total energy=-0.945059892639  Egs=-1.68902499785
Kept: 35 out of 35, ratio=1
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 2/33 (scale 0.27050532016668066) ***** 
[1] xi(1)=0.945372903138 zeta(2)=0
Stats: nr=15 min=1 max=20 sum3=30066
Emax=8.06413828606 nrkept=126 nrkeptmult=256 
Total energy=-1.08819615447  Egs=-0.529143980393
Kept: 126 out of 126, ratio=1
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 3/33 (scale 0.13525266008334033) ***** 
[1] xi(2)=0.984886060978 zeta(3)=0
Stats: nr=21 min=1 max=75 sum3=1007202
Safeguard: keep additional 1 states
Emax=10.5879240984 nrkept=264 nrkeptmult=594 
Total energy=-1.31543989272  Egs=-1.68014246898
Kept: 264 out of 462, ratio=0.571
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 4/33 (scale 0.067626330041670166) ***** 
[1] xi(3)=0.996126049722 zeta(4)=0
Stats: nr=28 min=1 max=116 sum3=6400760
Safeguard: keep additional 1 states
Emax=10.0432935372 nrkept=166 nrkeptmult=344 
Total energy=-1.35694414832  Egs=-0.613729232061
Kept: 166 out of 980, ratio=0.169
Memory used: 6 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 5/33 (scale 0.033813165020835083) ***** 
[1] xi(4)=0.999025462085 zeta(5)=0
Stats: nr=21 min=1 max=97 sum3=2238520
Safeguard: keep additional 1 states
Emax=10.61305402 nrkept=264 nrkeptmult=594 
Total energy=-1.41186443999  Egs=-1.62422806713
Kept: 264 out of 610, ratio=0.433
Memory used: 6 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 6/33 (scale 0.016906582510417541) ***** 
[1] xi(5)=0.999755986004 zeta(6)=0
Stats: nr=28 min=1 max=116 sum3=6400760
Safeguard: keep additional 3 states
Emax=10.0072233746 nrkept=160 nrkeptmult=332 
Total energy=-1.42293750565  Egs=-0.654955882248
Kept: 160 out of 980, ratio=0.163
Memory used: 7 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 7/33 (scale 0.0084532912552087707) ***** 
[1] xi(6)=0.99993897276 zeta(7)=0
Stats: nr=21 min=1 max=95 sum3=2064914
Safeguard: keep additional 3 states
Emax=10.2267882675 nrkept=230 nrkeptmult=516 
Total energy=-1.43613835213  Egs=-1.56162210412
Kept: 230 out of 590, ratio=0.39
Memory used: 7 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 8/33 (scale 0.0042266456276043854) ***** 
[1] xi(7)=0.999984741706 zeta(8)=0
Stats: nr=26 min=1 max=106 sum3=4714508
Emax=10.0813827755 nrkept=157 nrkeptmult=323 
Total energy=-1.43901367989  Egs=-0.680285978998
Kept: 157 out of 860, ratio=0.183
Memory used: 7 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 9/33 (scale 0.0021133228138021927) ***** 
[1] xi(8)=0.999996185334 zeta(9)=0
Stats: nr=21 min=1 max=94 sum3=1975880
Safeguard: keep additional 2 states
Emax=10.0606433797 nrkept=193 nrkeptmult=440 
Total energy=-1.44222061242  Egs=-1.51748351767
Kept: 193 out of 578, ratio=0.334
Memory used: 7 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 10/33 (scale 0.0010566614069010963) ***** 
[1] xi(9)=0.999999046328 zeta(10)=0
Stats: nr=26 min=1 max=89 sum3=2833388
Emax=10.0082026119 nrkept=125 nrkeptmult=259 
Total energy=-1.44295751538  Egs=-0.697387976511
Kept: 125 out of 722, ratio=0.173
Memory used: 7 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 11/33 (scale 0.00052833070345054817) ***** 
[1] xi(10)=0.999999761582 zeta(11)=0
Stats: nr=21 min=1 max=74 sum3=974792
Emax=10.0139883702 nrkept=127 nrkeptmult=304 
Total energy=-1.44373858099  Egs=-1.47836497501
Kept: 127 out of 458, ratio=0.277
Memory used: 7 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 12/33 (scale 0.00026416535172527408) ***** 
[1] xi(11)=0.999999940395 zeta(12)=0
Stats: nr=25 min=1 max=59 sum3=865914
Emax=10.093721259 nrkept=87 nrkeptmult=193 
Total energy=-1.44392969302  Egs=-0.723456063427
Kept: 87 out of 480, ratio=0.181
Memory used: 7 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 13/33 (scale 0.00013208267586263704) ***** 
[1] xi(12)=0.999999985099 zeta(13)=0
Stats: nr=19 min=1 max=54 sum3=365209
Emax=10.0289235609 nrkept=118 nrkeptmult=282 
Total energy=-1.44411811823  Egs=-1.42657024381
Kept: 118 out of 325, ratio=0.363
Memory used: 7 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 14/33 (scale 6.6041337931318521e-05) ***** 
[1] xi(13)=0.999999996275 zeta(14)=0
Stats: nr=25 min=1 max=56 sum3=705050
Emax=10.19935834 nrkept=87 nrkeptmult=193 
Total energy=-1.44416857192  Egs=-0.763971341091
Kept: 87 out of 446, ratio=0.195
Memory used: 7 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 15/33 (scale 3.3020668965659261e-05) ***** 
[1] xi(14)=0.999999999069 zeta(15)=0
Stats: nr=19 min=1 max=54 sum3=365209
Emax=10.1309699535 nrkept=118 nrkeptmult=282 
Total energy=-1.44421329766  Egs=-1.35447710611
Kept: 118 out of 325, ratio=0.363
Memory used: 7 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 16/33 (scale 1.651033448282963e-05) ***** 
[1] xi(15)=0.999999999767 zeta(16)=0
Stats: nr=25 min=1 max=56 sum3=705050
Emax=10.2764087887 nrkept=87 nrkeptmult=193 
Total energy=-1.44422691868  Egs=-0.824999718622
Kept: 87 out of 446, ratio=0.195
Memory used: 7 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 17/33 (scale 8.2551672414148151e-06) ***** 
[1] xi(16)=0.999999999942 zeta(17)=0
Stats: nr=19 min=1 max=54 sum3=365209
Emax=10.0313184935 nrkept=117 nrkeptmult=278 
Total energy=-1.44423725934  Egs=-1.25262907711
Kept: 117 out of 325, ratio=0.36
Memory used: 7 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 18/33 (scale 4.1275836207074076e-06) ***** 
[1] xi(17)=0.999999999985 zeta(18)=0
Stats: nr=25 min=1 max=55 sum3=691126
Emax=10.3658014832 nrkept=87 nrkeptmult=193 
Total energy=-1.44424105647  Egs=-0.919938699117
Kept: 87 out of 442, ratio=0.197
Memory used: 7 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 19/33 (scale 2.0637918103537038e-06) ***** 
[1] xi(18)=0.999999999996 zeta(19)=0
Stats: nr=19 min=1 max=54 sum3=365209
Safeguard: keep additional 2 states
Emax=10.0951280023 nrkept=116 nrkeptmult=276 
Total energy=-1.44424334241  Egs=-1.10763929699
Kept: 116 out of 325, ratio=0.357
Memory used: 7 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 20/33 (scale 1.0318959051768519e-06) ***** 
[1] xi(19)=0.999999999999 zeta(20)=0
Stats: nr=25 min=1 max=54 sum3=658974
Safeguard: keep additional 2 states
Emax=10.3864060612 nrkept=89 nrkeptmult=195 
Total energy=-1.44424444864  Egs=-1.07203879337
Kept: 89 out of 438, ratio=0.203
Memory used: 7 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 21/33 (scale 5.1594795258842595e-07) ***** 
[1] xi(20)=1 zeta(21)=0
Stats: nr=19 min=1 max=54 sum3=376099
Safeguard: keep additional 1 states
Emax=10.0164661642 nrkept=103 nrkeptmult=238 
Total energy=-1.4442449202  Egs=-0.913970589828
Kept: 103 out of 331, ratio=0.311
Memory used: 7 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 22/33 (scale 2.5797397629421297e-07) ***** 
[1] xi(21)=1 zeta(22)=0
Stats: nr=23 min=1 max=51 sum3=525158
Safeguard: keep additional 2 states
Emax=10.0448453888 nrkept=83 nrkeptmult=181 
Total energy=-1.44424525597  Egs=-1.30156837544
Kept: 83 out of 386, ratio=0.215
Memory used: 7 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 23/33 (scale 1.2898698814710649e-07) ***** 
[1] xi(22)=1 zeta(23)=0
Stats: nr=19 min=1 max=52 sum3=323350
Safeguard: keep additional 1 states
Emax=10.0963740358 nrkept=99 nrkeptmult=226 
Total energy=-1.4442453483  Egs=-0.715846831215
Kept: 99 out of 310, ratio=0.319
Memory used: 7 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 24/33 (scale 6.4493494073553243e-08) ***** 
[1] xi(23)=1 zeta(24)=0
Stats: nr=23 min=1 max=48 sum3=453202
Safeguard: keep additional 1 states
Emax=10.0068357512 nrkept=81 nrkeptmult=169 
Total energy=-1.44424544861  Egs=-1.55530775352
Kept: 81 out of 370, ratio=0.219
Memory used: 8 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 25/33 (scale 3.2246747036776622e-08) ***** 
[1] xi(24)=1 zeta(25)=0
Stats: nr=21 min=1 max=48 sum3=263098
Safeguard: keep additional 1 states
Emax=10.1095063246 nrkept=87 nrkeptmult=192 
Total energy=-1.44424546781  Egs=-0.595193749931
Kept: 87 out of 298, ratio=0.292
Memory used: 8 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 26/33 (scale 1.6123373518388311e-08) ***** 
[1] xi(25)=1 zeta(26)=0
Stats: nr=23 min=1 max=43 sum3=315220
Safeguard: keep additional 1 states
Emax=10.0292413869 nrkept=78 nrkeptmult=162 
Total energy=-1.44424549536  Egs=-1.70910231123
Kept: 78 out of 322, ratio=0.242
Memory used: 8 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 27/33 (scale 8.0616867591941554e-09) ***** 
[1] xi(26)=1 zeta(27)=0
Stats: nr=21 min=1 max=45 sum3=223534
Emax=10.8230058466 nrkept=72 nrkeptmult=148 
Total energy=-1.4442454998  Egs=-0.550392636468
Kept: 72 out of 286, ratio=0.252
Memory used: 8 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 28/33 (scale 4.0308433795970777e-09) ***** 
[1] xi(27)=1 zeta(28)=0
Stats: nr=21 min=1 max=37 sum3=196806
Safeguard: keep additional 1 states
Emax=10.2233662333 nrkept=74 nrkeptmult=154 
Total energy=-1.44424550691  Egs=-1.76344080754
Kept: 74 out of 264, ratio=0.28
Memory used: 8 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 29/33 (scale 2.0154216897985389e-09) ***** 
[1] xi(28)=1 zeta(29)=0
Stats: nr=21 min=1 max=41 sum3=176130
Emax=11.631712705 nrkept=72 nrkeptmult=148 
Total energy=-1.44424550799  Egs=-0.537581421643
Kept: 72 out of 270, ratio=0.267
Memory used: 8 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 30/33 (scale 1.0077108448992694e-09) ***** 
[1] xi(29)=1 zeta(30)=0
Stats: nr=21 min=1 max=37 sum3=196806
Safeguard: keep additional 1 states
Emax=10.4820298718 nrkept=74 nrkeptmult=154 
Total energy=-1.44424550978  Egs=-1.77845777872
Kept: 74 out of 264, ratio=0.28
Memory used: 8 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 31/33 (scale 5.0385542244963471e-10) ***** 
[1] xi(30)=1 zeta(31)=0
Stats: nr=21 min=1 max=41 sum3=176130
Emax=11.8795797842 nrkept=72 nrkeptmult=148 
Total energy=-1.44424551005  Egs=-0.534253157943
Kept: 72 out of 270, ratio=0.267
Memory used: 8 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 32/33 (scale 2.5192771122481736e-10) ***** 
[1] xi(31)=1 zeta(32)=0
Stats: nr=21 min=1 max=37 sum3=196806
Safeguard: keep additional 1 states
Emax=10.551880143 nrkept=74 nrkeptmult=154 
Total energy=-1.4442455105  Egs=-1.78231109093
Kept: 74 out of 264, ratio=0.28
Memory used: 8 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 33/33 (scale 1.2596385561240868e-10) ***** 
[1] xi(32)=1 zeta(33)=0
Stats: nr=21 min=1 max=41 sum3=176130
Emax=11.9446118202 nrkept=72 nrkeptmult=148 
Total energy=-1.44424551057  Egs=-0.533412696089
Kept: 72 out of 270, ratio=0.267
Memory used: 8 MB  Time elapsed: 0 s

** Iteration completed.


Total energy:             -1.444245510568015
TKW=1.08380064978e-07
Grand canonical Z=              6.710453405147667
Zft (last shell)=               6.709797717602032

Memory usage report
===================
  after diag: 8436 kB
after recalc: 8448 kB
 after split: 8444 kB
  after trim: 8448 kB
 after trunc: 8436 kB
      diag_h: 8436 kB

Peak usage: 8448 kB

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