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=1.00479754808e-10
Nmax=43
Tmin=1e-10
Ninit=0
Lambda=3
strategy=kept
lastall=0
lastalloverride=0
z=0.5
discretization=Z
band=flat
betabar=1
T=1.00479754808e-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=	0.5
>>  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=3 z=0.5
# keep=5000 keepenergy=10 Nmax=43 channels=1 dots=1 betabar=1

Number of invariant subspaces: 6
(-2 1) 1 states
0.0228885250936 
(-1 2) 2 states
0.0106920904346 0.0323384290308 
(0 1) 3 states
0 0.0228885250936 0.0430305194654 
(0 3) 1 states
0.0201419943719 
(1 2) 2 states
0.0106920904346 0.0323384290308 
(2 1) 1 states
0.0228885250936 
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 1.0510537250399226) ***** 
[1] xi(0)=0.586403356468 zeta(1)=0
Stats: nr=10 min=1 max=8 sum3=1055
Emax=2.3515400597 nrkept=35 nrkeptmult=64 
Total energy=-1.23329746966  Egs=-1.13850450685
Kept: 35 out of 35, ratio=1
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 2/43 (scale 0.60682615108455829) ***** 
[1] xi(1)=0.927938038869 zeta(2)=0
Stats: nr=15 min=1 max=20 sum3=30066
Emax=5.59107500264 nrkept=126 nrkeptmult=256 
Total energy=-1.69390526214  Egs=-0.759044071605
Kept: 126 out of 126, ratio=1
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 3/43 (scale 0.35035124167997428) ***** 
[1] xi(2)=1.1294419779 zeta(3)=0
Stats: nr=21 min=1 max=75 sum3=1007202
Emax=10.0648588328 nrkept=420 nrkeptmult=946 
Total energy=-2.31725268232  Egs=-1.77920710996
Kept: 420 out of 462, ratio=0.909
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 4/43 (scale 0.20227538369485276) ***** 
[1] xi(3)=1.06460020271 zeta(4)=0
Stats: nr=28 min=1 max=186 sum3=26436790
Safeguard: keep additional 5 states
Emax=10.4422573995 nrkept=568 nrkeptmult=1328 
Total energy=-2.46826141766  Egs=-0.746550235559
Kept: 568 out of 1564, ratio=0.363
Memory used: 8 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 5/43 (scale 0.11678374722665809) ***** 
[1] xi(4)=1.01470147291 zeta(5)=0
Stats: nr=33 min=1 max=272 sum3=59372672
Safeguard: keep additional 1 states
Emax=10.0253030935 nrkept=441 nrkeptmult=998 
Total energy=-2.65747907716  Egs=-1.62023966507
Kept: 441 out of 2126, ratio=0.207
Memory used: 11 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 6/43 (scale 0.067425127898284254) ***** 
[1] xi(5)=1.00360683793 zeta(6)=0
Stats: nr=28 min=1 max=197 sum3=31261052
Safeguard: keep additional 7 states
Emax=10.2961407913 nrkept=420 nrkeptmult=976 
Total energy=-2.70668711024  Egs=-0.729817422891
Kept: 420 out of 1646, ratio=0.255
Memory used: 13 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 7/43 (scale 0.038927915742219356) ***** 
[1] xi(6)=1.00109067805 zeta(7)=0
Stats: nr=33 min=1 max=205 sum3=24752824
Safeguard: keep additional 1 states
Emax=10.6225051943 nrkept=389 nrkeptmult=874 
Total energy=-2.76744519787  Egs=-1.56078450314
Kept: 389 out of 1570, ratio=0.248
Memory used: 13 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 8/43 (scale 0.022475042632761417) ***** 
[1] xi(7)=1.00035371682 zeta(8)=0
Stats: nr=28 min=1 max=173 sum3=21206352
Safeguard: keep additional 3 states
Emax=10.3239552722 nrkept=416 nrkeptmult=972 
Total energy=-2.78462373977  Egs=-0.764338568223
Kept: 416 out of 1446, ratio=0.288
Memory used: 13 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 9/43 (scale 0.01297597191407312) ***** 
[1] xi(8)=1.00011689308 zeta(9)=0
Stats: nr=33 min=1 max=203 sum3=24107488
Safeguard: keep additional 1 states
Emax=10.128363889 nrkept=357 nrkeptmult=802 
Total energy=-2.80414312917  Egs=-1.5042718596
Kept: 357 out of 1558, ratio=0.229
Memory used: 15 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 10/43 (scale 0.0074916808775871389) ***** 
[1] xi(9)=1.00003885431 zeta(10)=0
Stats: nr=28 min=1 max=162 sum3=17013396
Emax=10.4159514696 nrkept=413 nrkeptmult=963 
Total energy=-2.81010792768  Egs=-0.796189613576
Kept: 413 out of 1332, ratio=0.31
Memory used: 15 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 11/43 (scale 0.0043253239713577068) ***** 
[1] xi(10)=1.00001293929 zeta(11)=0
Stats: nr=33 min=1 max=202 sum3=23580328
Emax=10.0363067502 nrkept=336 nrkeptmult=766 
Total energy=-2.81640575859  Egs=-1.45603680869
Kept: 336 out of 1546, ratio=0.217
Memory used: 16 MB  Time elapsed: 1 s

 ***** [NRG] Iteration 12/43 (scale 0.0024972269591957133) ***** 
[1] xi(11)=1.00000431175 zeta(12)=0
Stats: nr=28 min=1 max=150 sum3=13806620
Safeguard: keep additional 1 states
Emax=10.0785644105 nrkept=334 nrkeptmult=772 
Total energy=-2.81845543362  Egs=-0.820780436851
Kept: 334 out of 1256, ratio=0.266
Memory used: 16 MB  Time elapsed: 1 s

 ***** [NRG] Iteration 13/43 (scale 0.0014417746571192356) ***** 
[1] xi(12)=1.0000014371 zeta(13)=0
Stats: nr=31 min=1 max=169 sum3=13415530
Safeguard: keep additional 1 states
Emax=10.0087997227 nrkept=261 nrkeptmult=598 
Total energy=-2.8204937849  Egs=-1.41377937522
Kept: 261 out of 1246, ratio=0.209
Memory used: 16 MB  Time elapsed: 1 s

 ***** [NRG] Iteration 14/43 (scale 0.00083240898639857098) ***** 
[1] xi(13)=1.00000047902 zeta(14)=0
Stats: nr=26 min=1 max=117 sum3=6753564
Safeguard: keep additional 3 states
Emax=10.0249749198 nrkept=239 nrkeptmult=571 
Total energy=-2.82120038435  Egs=-0.848860913241
Kept: 239 out of 972, ratio=0.246
Memory used: 16 MB  Time elapsed: 1 s

 ***** [NRG] Iteration 15/43 (scale 0.00048059155237307853) ***** 
[1] xi(14)=1.00000015967 zeta(15)=0
Stats: nr=31 min=1 max=124 sum3=5150878
Safeguard: keep additional 2 states
Emax=10.0522316849 nrkept=186 nrkeptmult=442 
Total energy=-2.82185645158  Egs=-1.36512434253
Kept: 186 out of 898, ratio=0.207
Memory used: 16 MB  Time elapsed: 1 s

 ***** [NRG] Iteration 16/43 (scale 0.00027746966213285698) ***** 
[1] xi(15)=1.00000005322 zeta(16)=0
Stats: nr=26 min=1 max=87 sum3=2695482
Safeguard: keep additional 2 states
Emax=10.3434657604 nrkept=213 nrkeptmult=523 
Total energy=-2.82210326861  Egs=-0.889527990021
Kept: 213 out of 702, ratio=0.303
Memory used: 16 MB  Time elapsed: 1 s

 ***** [NRG] Iteration 17/43 (scale 0.00016019718412435953) ***** 
[1] xi(16)=1.00000001774 zeta(17)=0
Stats: nr=31 min=1 max=108 sum3=3544234
Safeguard: keep additional 2 states
Emax=10.0146390527 nrkept=178 nrkeptmult=424 
Total energy=-2.82231169544  Egs=-1.30106426131
Kept: 178 out of 802, ratio=0.222
Memory used: 16 MB  Time elapsed: 1 s

 ***** [NRG] Iteration 18/43 (scale 9.2489887377619005e-05) ***** 
[1] xi(17)=1.00000000591 zeta(18)=0
Stats: nr=26 min=1 max=82 sum3=2302678
Safeguard: keep additional 2 states
Emax=10.4745516515 nrkept=213 nrkeptmult=523 
Total energy=-2.82239941557  Egs=-0.948429433525
Kept: 213 out of 670, ratio=0.318
Memory used: 16 MB  Time elapsed: 1 s

 ***** [NRG] Iteration 19/43 (scale 5.33990613747865e-05) ***** 
[1] xi(18)=1.00000000197 zeta(19)=0
Stats: nr=31 min=1 max=108 sum3=3544234
Safeguard: keep additional 2 states
Emax=10.1082224881 nrkept=178 nrkeptmult=424 
Total energy=-2.82246429982  Egs=-1.2150821928
Kept: 178 out of 802, ratio=0.222
Memory used: 16 MB  Time elapsed: 1 s

 ***** [NRG] Iteration 20/43 (scale 3.0829962459206333e-05) ***** 
[1] xi(19)=1.00000000066 zeta(20)=0
Stats: nr=26 min=1 max=82 sum3=2302678
Emax=10.002676531 nrkept=207 nrkeptmult=513 
Total energy=-2.82249616543  Egs=-1.03359211108
Kept: 207 out of 670, ratio=0.309
Memory used: 16 MB  Time elapsed: 1 s

 ***** [NRG] Iteration 21/43 (scale 1.7799687124928835e-05) ***** 
[1] xi(20)=1.00000000022 zeta(21)=0
Stats: nr=31 min=1 max=104 sum3=3210253
Safeguard: keep additional 1 states
Emax=10.0686847217 nrkept=177 nrkeptmult=414 
Total energy=-2.82251576427  Egs=-1.10107792043
Kept: 177 out of 781, ratio=0.227
Memory used: 16 MB  Time elapsed: 1 s

 ***** [NRG] Iteration 22/43 (scale 1.0276654153068778e-05) ***** 
[1] xi(21)=1.00000000007 zeta(22)=0
Stats: nr=26 min=1 max=83 sum3=2328838
Safeguard: keep additional 2 states
Emax=10.0553950848 nrkept=204 nrkeptmult=500 
Total energy=-2.82252764219  Egs=-1.15581571788
Kept: 204 out of 664, ratio=0.307
Memory used: 16 MB  Time elapsed: 1 s

 ***** [NRG] Iteration 23/43 (scale 5.9332290416429446e-06) ***** 
[1] xi(22)=1.00000000002 zeta(23)=0
Stats: nr=29 min=1 max=103 sum3=3153614
Safeguard: keep additional 2 states
Emax=10.0442406478 nrkept=174 nrkeptmult=408 
Total energy=-2.82253333832  Egs=-0.960039436881
Kept: 174 out of 770, ratio=0.226
Memory used: 16 MB  Time elapsed: 1 s

 ***** [NRG] Iteration 24/43 (scale 3.4255513843562592e-06) ***** 
[1] xi(23)=1.00000000001 zeta(24)=0
Stats: nr=26 min=1 max=82 sum3=2225994
Safeguard: keep additional 2 states
Emax=10.0450176495 nrkept=174 nrkeptmult=404 
Total energy=-2.8225378566  Egs=-1.3189944191
Kept: 174 out of 654, ratio=0.266
Memory used: 16 MB  Time elapsed: 1 s

 ***** [NRG] Iteration 25/43 (scale 1.9777430138809818e-06) ***** 
[1] xi(24)=1 zeta(25)=0
Stats: nr=27 min=1 max=93 sum3=2186703
Emax=10.1504523041 nrkept=169 nrkeptmult=396 
Total energy=-2.8225394714  Egs=-0.816483978758
Kept: 169 out of 651, ratio=0.26
Memory used: 16 MB  Time elapsed: 1 s

 ***** [NRG] Iteration 26/43 (scale 1.1418504614520865e-06) ***** 
[1] xi(25)=1 zeta(26)=0
Stats: nr=26 min=1 max=79 sum3=2005426
Safeguard: keep additional 1 states
Emax=10.0581492896 nrkept=161 nrkeptmult=369 
Total energy=-2.82254117713  Egs=-1.49383066865
Kept: 161 out of 634, ratio=0.254
Memory used: 16 MB  Time elapsed: 1 s

 ***** [NRG] Iteration 27/43 (scale 6.592476712936605e-07) ***** 
[1] xi(26)=1 zeta(27)=0
Stats: nr=27 min=1 max=88 sum3=1763462
Safeguard: keep additional 1 states
Emax=10.0556835451 nrkept=157 nrkeptmult=358 
Total energy=-2.8225416471  Egs=-0.7128913819
Kept: 157 out of 602, ratio=0.261
Memory used: 16 MB  Time elapsed: 1 s

 ***** [NRG] Iteration 28/43 (scale 3.8061682048402881e-07) ***** 
[1] xi(27)=1 zeta(28)=0
Stats: nr=25 min=1 max=73 sum3=1593760
Safeguard: keep additional 2 states
Emax=10.0568494347 nrkept=131 nrkeptmult=281 
Total energy=-2.82254226411  Egs=-1.62108285911
Kept: 131 out of 586, ratio=0.224
Memory used: 16 MB  Time elapsed: 1 s

 ***** [NRG] Iteration 29/43 (scale 2.1974922376455349e-07) ***** 
[1] xi(28)=1 zeta(29)=0
Stats: nr=21 min=1 max=76 sum3=1088178
Safeguard: keep additional 2 states
Emax=10.1262568393 nrkept=148 nrkeptmult=324 
Total energy=-2.8225424093  Egs=-0.660714212327
Kept: 148 out of 486, ratio=0.305
Memory used: 16 MB  Time elapsed: 1 s

 ***** [NRG] Iteration 30/43 (scale 1.2687227349467628e-07) ***** 
[1] xi(29)=1 zeta(30)=0
Stats: nr=25 min=1 max=71 sum3=1411012
Safeguard: keep additional 1 states
Emax=10.1710410062 nrkept=118 nrkeptmult=244 
Total energy=-2.82254262292  Egs=-1.68370568162
Kept: 118 out of 550, ratio=0.215
Memory used: 16 MB  Time elapsed: 1 s

 ***** [NRG] Iteration 31/43 (scale 7.3249741254851168e-08) ***** 
[1] xi(30)=1 zeta(31)=0
Stats: nr=21 min=1 max=69 sum3=801675
Emax=10.0062981684 nrkept=124 nrkeptmult=282 
Total energy=-2.82254266979  Egs=-0.639903065517
Kept: 124 out of 435, ratio=0.285
Memory used: 16 MB  Time elapsed: 1 s

 ***** [NRG] Iteration 32/43 (scale 4.2290757831558757e-08) ***** 
[1] xi(31)=1 zeta(32)=0
Stats: nr=25 min=1 max=59 sum3=845300
Safeguard: keep additional 1 states
Emax=10.1499337798 nrkept=108 nrkeptmult=220 
Total energy=-2.82254274203  Egs=-1.70805386992
Kept: 108 out of 464, ratio=0.233
Memory used: 16 MB  Time elapsed: 1 s

 ***** [NRG] Iteration 33/43 (scale 2.4416580418283724e-08) ***** 
[1] xi(32)=1 zeta(33)=0
Stats: nr=21 min=1 max=63 sum3=612299
Emax=10.123104541 nrkept=112 nrkeptmult=244 
Total energy=-2.82254275747  Egs=-0.632473247792
Kept: 112 out of 395, ratio=0.284
Memory used: 16 MB  Time elapsed: 1 s

 ***** [NRG] Iteration 34/43 (scale 1.4096919277186252e-08) ***** 
[1] xi(33)=1 zeta(34)=0
Stats: nr=25 min=1 max=54 sum3=614330
Safeguard: keep additional 1 states
Emax=10.4416383202 nrkept=108 nrkeptmult=220 
Total energy=-2.82254278167  Egs=-1.71662364224
Kept: 108 out of 416, ratio=0.26
Memory used: 16 MB  Time elapsed: 1 s

 ***** [NRG] Iteration 35/43 (scale 8.1388601394279074e-09) ***** 
[1] xi(34)=1 zeta(35)=0
Stats: nr=21 min=1 max=63 sum3=612299
Emax=10.2312096174 nrkept=112 nrkeptmult=244 
Total energy=-2.8225427868  Egs=-0.629935674564
Kept: 112 out of 395, ratio=0.284
Memory used: 16 MB  Time elapsed: 1 s

 ***** [NRG] Iteration 36/43 (scale 4.6989730923954177e-09) ***** 
[1] xi(35)=1 zeta(36)=0
Stats: nr=25 min=1 max=54 sum3=614330
Safeguard: keep additional 1 states
Emax=10.5463253961 nrkept=108 nrkeptmult=220 
Total energy=-2.82254279488  Egs=-1.71953350202
Kept: 108 out of 416, ratio=0.26
Memory used: 16 MB  Time elapsed: 1 s

 ***** [NRG] Iteration 37/43 (scale 2.7129533798093026e-09) ***** 
[1] xi(36)=1 zeta(37)=0
Stats: nr=21 min=1 max=63 sum3=612299
Emax=10.2660169847 nrkept=112 nrkeptmult=244 
Total energy=-2.82254279658  Egs=-0.629082769381
Kept: 112 out of 395, ratio=0.284
Memory used: 16 MB  Time elapsed: 1 s

 ***** [NRG] Iteration 38/43 (scale 1.5663243641318058e-09) ***** 
[1] xi(37)=1 zeta(38)=0
Stats: nr=25 min=1 max=54 sum3=614330
Safeguard: keep additional 1 states
Emax=10.5816255622 nrkept=108 nrkeptmult=220 
Total energy=-2.82254279928  Egs=-1.72050948291
Kept: 108 out of 416, ratio=0.26
Memory used: 16 MB  Time elapsed: 1 s

 ***** [NRG] Iteration 39/43 (scale 9.0431779326976753e-10) ***** 
[1] xi(38)=1 zeta(39)=0
Stats: nr=21 min=1 max=63 sum3=612299
Emax=10.2775855531 nrkept=112 nrkeptmult=244 
Total energy=-2.82254279985  Egs=-0.628797674357
Kept: 112 out of 395, ratio=0.284
Memory used: 16 MB  Time elapsed: 1 s

 ***** [NRG] Iteration 40/43 (scale 5.2210812137726861e-10) ***** 
[1] xi(39)=1 zeta(40)=0
Stats: nr=25 min=1 max=54 sum3=614330
Safeguard: keep additional 1 states
Emax=10.590554532 nrkept=108 nrkeptmult=224 
Total energy=-2.82254280075  Egs=-1.72083548072
Kept: 108 out of 416, ratio=0.26
Memory used: 16 MB  Time elapsed: 1 s

 ***** [NRG] Iteration 41/43 (scale 3.0143926442325579e-10) ***** 
[1] xi(40)=1 zeta(41)=0
Stats: nr=21 min=1 max=61 sum3=575735
Emax=10.2814365653 nrkept=112 nrkeptmult=244 
Total energy=-2.82254280093  Egs=-0.628702553849
Kept: 112 out of 395, ratio=0.284
Memory used: 16 MB  Time elapsed: 1 s

 ***** [NRG] Iteration 42/43 (scale 1.7403604045908955e-10) ***** 
[1] xi(41)=1 zeta(42)=0
Stats: nr=25 min=1 max=54 sum3=614330
Safeguard: keep additional 1 states
Emax=10.5920357673 nrkept=108 nrkeptmult=224 
Total energy=-2.82254280123  Egs=-1.72094420763
Kept: 108 out of 416, ratio=0.26
Memory used: 16 MB  Time elapsed: 1 s

 ***** [NRG] Iteration 43/43 (scale 1.0047975480775194e-10) ***** 
[1] xi(42)=1 zeta(43)=0
Stats: nr=21 min=1 max=61 sum3=575735
Emax=10.2827211778 nrkept=112 nrkeptmult=244 
Total energy=-2.8225428013  Egs=-0.628670836598
Kept: 112 out of 395, ratio=0.284
Memory used: 16 MB  Time elapsed: 1 s

** Iteration completed.


Total energy:             -2.822542801297597
TKW=1.17085505141e-06
Grand canonical Z=              8.021932875417516
Zft (last shell)=               8.018315738630008

Memory usage report
===================
  after diag: 17136 kB
after recalc: 17152 kB
 after split: 17148 kB
  after trim: 17152 kB
 after trunc: 17136 kB
      diag_h: 17136 kB

Peak usage: 17152 kB

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