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=43
TEMPERATURE T=1.39705962921e-10
Nmax=43
Tmin=1e-10
Ninit=0
Lambda=3
strategy=kept
lastall=0
lastalloverride=0
z=0.2
discretization=Z
band=flat
betabar=1
T=1.39705962921e-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=	3.	 BAND=	flat
>>  DISCRETIZATION=	Z	 z=	0.2
>>  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=3 z=0.2
# keep=5000 keepenergy=10 Nmax=43 channels=1 dots=1 betabar=1

Number of invariant subspaces: 6
(-2 1) 1 states
0.0164619558194 
(-1 2) 2 states
0.00768999835651 0.0232585449608 
(0 1) 3 states
0 0.0164619558194 0.0309485433173 
(0 3) 1 states
0.0144865874979 
(1 2) 2 states
0.00768999835651 0.0232585449608 
(2 1) 1 states
0.0164619558194 
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 1/43 (scale 1.4613737167157042) ***** 
[1] xi(0)=0.387784495821 zeta(1)=0
Stats: nr=10 min=1 max=8 sum3=1055
Emax=1.5554735556 nrkept=35 nrkeptmult=64 
Total energy=-1.1340640856  Egs=-0.750934553076
Kept: 35 out of 35, ratio=1
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 2/43 (scale 0.84372450873245564) ***** 
[1] xi(1)=0.689656176326 zeta(2)=0
Stats: nr=15 min=1 max=20 sum3=30066
Emax=3.91790216223 nrkept=126 nrkeptmult=256 
Total energy=-1.65031503855  Egs=-0.611871467055
Kept: 126 out of 126, ratio=1
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 3/43 (scale 0.48712457223856803) ***** 
[1] xi(2)=1.27033505603 zeta(3)=0
Stats: nr=21 min=1 max=75 sum3=1007202
Safeguard: keep additional 1 states
Emax=10.0910869646 nrkept=453 nrkeptmult=1010 
Total energy=-2.6420974556  Egs=-2.03599340615
Kept: 453 out of 462, ratio=0.981
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 4/43 (scale 0.28124150291081856) ***** 
[1] xi(3)=1.32771089241 zeta(4)=0
Stats: nr=28 min=1 max=204 sum3=34462150
Safeguard: keep additional 1 states
Emax=10.2216184806 nrkept=716 nrkeptmult=1700 
Total energy=-2.92126220548  Egs=-0.99261576614
Kept: 716 out of 1684, ratio=0.425
Memory used: 10 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 5/43 (scale 0.16237485741285601) ***** 
[1] xi(4)=1.0825256851 zeta(5)=0
Stats: nr=33 min=2 max=334 sum3=112846582
Safeguard: keep additional 1 states
Emax=10.5914156643 nrkept=589 nrkeptmult=1370 
Total energy=-3.1921428045  Egs=-1.66824225956
Kept: 589 out of 2686, ratio=0.219
Memory used: 13 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 6/43 (scale 0.093747167636939521) ***** 
[1] xi(5)=1.0155402182 zeta(6)=0
Stats: nr=34 min=1 max=254 sum3=68788274
Safeguard: keep additional 6 states
Emax=10.2905811497 nrkept=419 nrkeptmult=975 
Total energy=-3.26050959273  Egs=-0.7292677736
Kept: 419 out of 2204, ratio=0.19
Memory used: 15 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 7/43 (scale 0.05412495247095199) ***** 
[1] xi(6)=1.00427292835 zeta(7)=0
Stats: nr=33 min=1 max=204 sum3=24528289
Safeguard: keep additional 1 states
Emax=10.6161653244 nrkept=389 nrkeptmult=874 
Total energy=-3.34598368278  Egs=-1.57919935538
Kept: 389 out of 1567, ratio=0.248
Memory used: 15 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 8/43 (scale 0.031249055878979831) ***** 
[1] xi(7)=1.00136596186 zeta(8)=0
Stats: nr=28 min=1 max=173 sum3=21206352
Safeguard: keep additional 3 states
Emax=10.3121828443 nrkept=416 nrkeptmult=972 
Total energy=-3.36955108054  Egs=-0.754179513632
Kept: 416 out of 1446, ratio=0.288
Memory used: 15 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 9/43 (scale 0.018041650823650664) ***** 
[1] xi(8)=1.00044993805 zeta(9)=0
Stats: nr=33 min=1 max=203 sum3=24107488
Safeguard: keep additional 1 states
Emax=10.0562235852 nrkept=357 nrkeptmult=806 
Total energy=-3.39698948048  Egs=-1.52083643584
Kept: 357 out of 1558, ratio=0.229
Memory used: 16 MB  Time elapsed: 1 s

 ***** [NRG] Iteration 10/43 (scale 0.010416351959659944) ***** 
[1] xi(9)=1.0001494065 zeta(10)=0
Stats: nr=28 min=1 max=162 sum3=17066972
Emax=10.3744751844 nrkept=413 nrkeptmult=963 
Total energy=-3.40519420396  Egs=-0.787677251292
Kept: 413 out of 1334, ratio=0.31
Memory used: 16 MB  Time elapsed: 1 s

 ***** [NRG] Iteration 11/43 (scale 0.0060138836078835545) ***** 
[1] xi(10)=1.00004973931 zeta(11)=0
Stats: nr=33 min=1 max=202 sum3=23580328
Safeguard: keep additional 1 states
Emax=10.1342855622 nrkept=341 nrkeptmult=774 
Total energy=-3.41403126152  Egs=-1.46944273177
Kept: 341 out of 1546, ratio=0.221
Memory used: 16 MB  Time elapsed: 1 s

 ***** [NRG] Iteration 12/43 (scale 0.0034721173198866478) ***** 
[1] xi(11)=1.00001657281 zeta(12)=0
Stats: nr=28 min=1 max=153 sum3=14533100
Safeguard: keep additional 1 states
Emax=10.0783773815 nrkept=350 nrkeptmult=808 
Total energy=-3.4168563295  Egs=-0.813644161458
Kept: 350 out of 1274, ratio=0.275
Memory used: 16 MB  Time elapsed: 1 s

 ***** [NRG] Iteration 13/43 (scale 0.002004627869294518) ***** 
[1] xi(12)=1.0000055235 zeta(13)=0
Stats: nr=31 min=1 max=177 sum3=15473842
Emax=10.028333755 nrkept=286 nrkeptmult=656 
Total energy=-3.41971605395  Egs=-1.42656125629
Kept: 286 out of 1306, ratio=0.219
Memory used: 16 MB  Time elapsed: 1 s

 ***** [NRG] Iteration 14/43 (scale 0.001157372439962216) ***** 
[1] xi(13)=1.00000184108 zeta(14)=0
Stats: nr=26 min=1 max=129 sum3=8844888
Emax=10.2672577302 nrkept=271 nrkeptmult=633 
Total energy=-3.42068755631  Egs=-0.839403393689
Kept: 271 out of 1068, ratio=0.254
Memory used: 16 MB  Time elapsed: 1 s

 ***** [NRG] Iteration 15/43 (scale 0.00066820928976483941) ***** 
[1] xi(14)=1.00000061368 zeta(15)=0
Stats: nr=31 min=1 max=140 sum3=7432085
Emax=10.0509709633 nrkept=202 nrkeptmult=474 
Total energy=-3.42161036353  Egs=-1.38101525648
Kept: 202 out of 1013, ratio=0.199
Memory used: 16 MB  Time elapsed: 1 s

 ***** [NRG] Iteration 16/43 (scale 0.00038579081332073867) ***** 
[1] xi(15)=1.00000020456 zeta(16)=0
Stats: nr=26 min=1 max=93 sum3=3350918
Safeguard: keep additional 2 states
Emax=10.2622802882 nrkept=213 nrkeptmult=523 
Total energy=-3.42194819725  Egs=-0.875691447024
Kept: 213 out of 758, ratio=0.281
Memory used: 16 MB  Time elapsed: 1 s

 ***** [NRG] Iteration 17/43 (scale 0.00022273642992161314) ***** 
[1] xi(16)=1.00000006819 zeta(17)=0
Stats: nr=31 min=1 max=108 sum3=3544234
Emax=10.0181992275 nrkept=179 nrkeptmult=428 
Total energy=-3.42224271594  Egs=-1.3222744499
Kept: 179 out of 802, ratio=0.223
Memory used: 16 MB  Time elapsed: 1 s

 ***** [NRG] Iteration 18/43 (scale 0.00012859693777357957) ***** 
[1] xi(17)=1.00000002273 zeta(18)=0
Stats: nr=26 min=1 max=82 sum3=2333108
Safeguard: keep additional 2 states
Emax=10.4431911509 nrkept=213 nrkeptmult=523 
Total energy=-3.42236211218  Egs=-0.928453208941
Kept: 213 out of 674, ratio=0.316
Memory used: 16 MB  Time elapsed: 1 s

 ***** [NRG] Iteration 19/43 (scale 7.424547664053778e-05) ***** 
[1] xi(18)=1.00000000758 zeta(19)=0
Stats: nr=31 min=1 max=108 sum3=3544234
Safeguard: keep additional 2 states
Emax=10.0793375115 nrkept=178 nrkeptmult=424 
Total energy=-3.42245444073  Egs=-1.24355794137
Kept: 178 out of 802, ratio=0.222
Memory used: 16 MB  Time elapsed: 1 s

 ***** [NRG] Iteration 20/43 (scale 4.2865645924526563e-05) ***** 
[1] xi(19)=1.00000000253 zeta(20)=0
Stats: nr=26 min=1 max=82 sum3=2302678
Emax=10.0129679311 nrkept=208 nrkeptmult=516 
Total energy=-3.42249750675  Egs=-1.00467450869
Kept: 208 out of 670, ratio=0.31
Memory used: 16 MB  Time elapsed: 1 s

 ***** [NRG] Iteration 21/43 (scale 2.4748492213512595e-05) ***** 
[1] xi(20)=1.00000000084 zeta(21)=0
Stats: nr=31 min=1 max=105 sum3=3290513
Safeguard: keep additional 1 states
Emax=10.0795202737 nrkept=177 nrkeptmult=414 
Total energy=-3.42252568106  Egs=-1.13842533623
Kept: 177 out of 785, ratio=0.225
Memory used: 16 MB  Time elapsed: 1 s

 ***** [NRG] Iteration 22/43 (scale 1.4288548641508853e-05) ***** 
[1] xi(21)=1.00000000028 zeta(22)=0
Stats: nr=26 min=1 max=83 sum3=2328838
Safeguard: keep additional 1 states
Emax=10.0356191958 nrkept=206 nrkeptmult=512 
Total energy=-3.4225416085  Egs=-1.11469966295
Kept: 206 out of 664, ratio=0.31
Memory used: 16 MB  Time elapsed: 1 s

 ***** [NRG] Iteration 23/43 (scale 8.2494974045041988e-06) ***** 
[1] xi(22)=1.00000000009 zeta(23)=0
Stats: nr=31 min=1 max=103 sum3=3156154
Safeguard: keep additional 2 states
Emax=10.0089027018 nrkept=175 nrkeptmult=412 
Total energy=-3.42254989374  Egs=-1.00433207266
Kept: 175 out of 778, ratio=0.225
Memory used: 16 MB  Time elapsed: 1 s

 ***** [NRG] Iteration 24/43 (scale 4.7628495471696181e-06) ***** 
[1] xi(23)=1.00000000003 zeta(24)=0
Stats: nr=26 min=1 max=82 sum3=2253868
Emax=10.0173864018 nrkept=183 nrkeptmult=425 
Total energy=-3.42255592617  Egs=-1.26655895849
Kept: 183 out of 658, ratio=0.278
Memory used: 17 MB  Time elapsed: 1 s

 ***** [NRG] Iteration 25/43 (scale 2.7498324681680661e-06) ***** 
[1] xi(24)=1.00000000001 zeta(25)=0
Stats: nr=27 min=1 max=98 sum3=2540408
Emax=10.0585608089 nrkept=169 nrkeptmult=396 
Total energy=-3.42255828311  Egs=-0.857123743355
Kept: 169 out of 686, ratio=0.246
Memory used: 17 MB  Time elapsed: 1 s

 ***** [NRG] Iteration 26/43 (scale 1.5876165157232058e-06) ***** 
[1] xi(25)=1 zeta(26)=0
Stats: nr=26 min=1 max=79 sum3=2005426
Emax=10.0200268456 nrkept=165 nrkeptmult=375 
Total energy=-3.42256057536  Egs=-1.4438263145
Kept: 165 out of 634, ratio=0.26
Memory used: 17 MB  Time elapsed: 1 s

 ***** [NRG] Iteration 27/43 (scale 9.1661082272268863e-07) ***** 
[1] xi(26)=1 zeta(27)=0
Stats: nr=27 min=1 max=90 sum3=1890417
Safeguard: keep additional 1 states
Emax=10.0430492137 nrkept=161 nrkeptmult=370 
Total energy=-3.42256125192  Egs=-0.738116332319
Kept: 161 out of 615, ratio=0.262
Memory used: 17 MB  Time elapsed: 1 s

 ***** [NRG] Iteration 28/43 (scale 5.2920550524106866e-07) ***** 
[1] xi(27)=1 zeta(28)=0
Stats: nr=25 min=1 max=75 sum3=1749488
Safeguard: keep additional 3 states
Emax=10.0220597647 nrkept=142 nrkeptmult=304 
Total energy=-3.42256209351  Egs=-1.5902960405
Kept: 142 out of 602, ratio=0.236
Memory used: 17 MB  Time elapsed: 1 s

 ***** [NRG] Iteration 29/43 (scale 3.0553694090756291e-07) ***** 
[1] xi(28)=1 zeta(29)=0
Stats: nr=21 min=1 max=81 sum3=1334002
Safeguard: keep additional 2 states
Emax=10.0587611913 nrkept=148 nrkeptmult=324 
Total energy=-3.42256229883  Egs=-0.671988940641
Kept: 148 out of 526, ratio=0.281
Memory used: 17 MB  Time elapsed: 1 s

 ***** [NRG] Iteration 30/43 (scale 1.7640183508035622e-07) ***** 
[1] xi(29)=1 zeta(30)=0
Stats: nr=25 min=1 max=71 sum3=1411012
Safeguard: keep additional 1 states
Emax=10.0185071829 nrkept=119 nrkeptmult=247 
Total energy=-3.42256259348  Egs=-1.67033751503
Kept: 119 out of 550, ratio=0.216
Memory used: 17 MB  Time elapsed: 1 s

 ***** [NRG] Iteration 31/43 (scale 1.0184564696918763e-07) ***** 
[1] xi(30)=1 zeta(31)=0
Stats: nr=21 min=1 max=70 sum3=829177
Safeguard: keep additional 3 states
Emax=10.0155222694 nrkept=133 nrkeptmult=300 
Total energy=-3.42256265908  Egs=-0.644129744142
Kept: 133 out of 439, ratio=0.303
Memory used: 17 MB  Time elapsed: 1 s

 ***** [NRG] Iteration 32/43 (scale 5.8800611693452073e-08) ***** 
[1] xi(31)=1 zeta(32)=0
Stats: nr=25 min=1 max=63 sum3=1030450
Safeguard: keep additional 1 states
Emax=10.039095141 nrkept=110 nrkeptmult=228 
Total energy=-3.42256275923  Egs=-1.70314766151
Kept: 110 out of 496, ratio=0.222
Memory used: 17 MB  Time elapsed: 1 s

 ***** [NRG] Iteration 33/43 (scale 3.394854898972921e-08) ***** 
[1] xi(32)=1 zeta(33)=0
Stats: nr=21 min=1 max=63 sum3=625231
Emax=10.0546647635 nrkept=112 nrkeptmult=244 
Total energy=-3.42256278075  Egs=-0.633943682669
Kept: 112 out of 403, ratio=0.278
Memory used: 17 MB  Time elapsed: 1 s

 ***** [NRG] Iteration 34/43 (scale 1.9600203897817359e-08) ***** 
[1] xi(33)=1 zeta(34)=0
Stats: nr=25 min=1 max=54 sum3=614330
Safeguard: keep additional 1 states
Emax=10.3820003502 nrkept=108 nrkeptmult=220 
Total energy=-3.42256281437  Egs=-1.71493339498
Kept: 108 out of 416, ratio=0.26
Memory used: 17 MB  Time elapsed: 1 s

 ***** [NRG] Iteration 35/43 (scale 1.1316182996576404e-08) ***** 
[1] xi(34)=1 zeta(35)=0
Stats: nr=21 min=1 max=63 sum3=612299
Emax=10.2106933298 nrkept=112 nrkeptmult=244 
Total energy=-3.4225628215  Egs=-0.630433114528
Kept: 112 out of 395, ratio=0.284
Memory used: 17 MB  Time elapsed: 1 s

 ***** [NRG] Iteration 36/43 (scale 6.5334012992724527e-09) ***** 
[1] xi(35)=1 zeta(36)=0
Stats: nr=25 min=1 max=54 sum3=614330
Safeguard: keep additional 1 states
Emax=10.5256577045 nrkept=108 nrkeptmult=220 
Total energy=-3.42256283273  Egs=-1.71896379884
Kept: 108 out of 416, ratio=0.26
Memory used: 17 MB  Time elapsed: 2 s

 ***** [NRG] Iteration 37/43 (scale 3.7720609988588012e-09) ***** 
[1] xi(36)=1 zeta(37)=0
Stats: nr=21 min=1 max=63 sum3=612299
Emax=10.2592427159 nrkept=112 nrkeptmult=244 
Total energy=-3.4225628351  Egs=-0.629249411465
Kept: 112 out of 395, ratio=0.284
Memory used: 17 MB  Time elapsed: 2 s

 ***** [NRG] Iteration 38/43 (scale 2.1778004330908176e-09) ***** 
[1] xi(37)=1 zeta(38)=0
Stats: nr=25 min=1 max=54 sum3=614330
Safeguard: keep additional 1 states
Emax=10.5748317425 nrkept=108 nrkeptmult=220 
Total energy=-3.42256283885  Egs=-1.72031887678
Kept: 108 out of 416, ratio=0.26
Memory used: 17 MB  Time elapsed: 2 s

 ***** [NRG] Iteration 39/43 (scale 1.257353666286267e-09) ***** 
[1] xi(38)=1 zeta(39)=0
Stats: nr=21 min=1 max=63 sum3=612299
Emax=10.2753296127 nrkept=112 nrkeptmult=244 
Total energy=-3.42256283964  Egs=-0.628853314416
Kept: 112 out of 395, ratio=0.284
Memory used: 17 MB  Time elapsed: 2 s

 ***** [NRG] Iteration 40/43 (scale 7.2593347769693922e-10) ***** 
[1] xi(39)=1 zeta(40)=0
Stats: nr=25 min=1 max=54 sum3=614330
Safeguard: keep additional 1 states
Emax=10.5894738366 nrkept=108 nrkeptmult=220 
Total energy=-3.42256284089  Egs=-1.72077186822
Kept: 108 out of 416, ratio=0.26
Memory used: 17 MB  Time elapsed: 2 s

 ***** [NRG] Iteration 41/43 (scale 4.1911788876208901e-10) ***** 
[1] xi(40)=1 zeta(41)=0
Stats: nr=21 min=1 max=63 sum3=612299
Emax=10.2806885563 nrkept=112 nrkeptmult=244 
Total energy=-3.42256284115  Egs=-0.628721110977
Kept: 112 out of 395, ratio=0.284
Memory used: 17 MB  Time elapsed: 2 s

 ***** [NRG] Iteration 42/43 (scale 2.4197782589897974e-10) ***** 
[1] xi(41)=1 zeta(42)=0
Stats: nr=25 min=1 max=54 sum3=614330
Safeguard: keep additional 1 states
Emax=10.5917663455 nrkept=108 nrkeptmult=224 
Total energy=-3.42256284157  Egs=-1.7209229979
Kept: 108 out of 416, ratio=0.26
Memory used: 17 MB  Time elapsed: 2 s

 ***** [NRG] Iteration 43/43 (scale 1.3970596292069634e-10) ***** 
[1] xi(42)=1 zeta(43)=0
Stats: nr=21 min=1 max=61 sum3=575735
Emax=10.28247061 nrkept=112 nrkeptmult=244 
Total energy=-3.42256284166  Egs=-0.628677023541
Kept: 112 out of 395, ratio=0.284
Memory used: 17 MB  Time elapsed: 2 s

** Iteration completed.


Total energy:             -3.422562841657641
TKW=1.20118879189e-06
Grand canonical Z=               8.02199263133471
Zft (last shell)=                8.01837809442832

Memory usage report
===================
  after diag: 17696 kB
after recalc: 17712 kB
 after split: 17956 kB
  after trim: 17712 kB
 after trunc: 17696 kB
      diag_h: 17696 kB

Peak usage: 17956 kB

Timing report
=============
         All: 2 s
        diag: 1 s
    recalc f: 0 s
       Other: 0 s
