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=42
TEMPERATURE T=1.00479754808e-10
Nmax=42
Tmin=1e-10
Ninit=0
Lambda=3
strategy=kept
lastall=0
lastalloverride=0
z=1
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=	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=3 z=1
# keep=5000 keepenergy=10 Nmax=42 channels=1 dots=1 betabar=1

Number of invariant subspaces: 6
(-2 1) 1 states
0.0396440883724 
(-1 2) 2 states
0.0185192438719 0.0560118021183 
(0 1) 3 states
0 0.0396440883724 0.0745310459902 
(0 3) 1 states
0.0348869576179 
(1 2) 2 states
0.0185192438719 0.0560118021183 
(2 1) 1 states
0.0396440883724 
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 1/42 (scale 0.60682615108455829) ***** 
[1] xi(0)=0.832050294338 zeta(1)=0
Stats: nr=10 min=1 max=8 sum3=1055
Emax=3.33890879118 nrkept=35 nrkeptmult=64 
Total energy=-1.01056858529  Egs=-1.60490861639
Kept: 35 out of 35, ratio=1
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 2/42 (scale 0.35035124167997428) ***** 
[1] xi(1)=0.907691230187 zeta(2)=0
Stats: nr=15 min=1 max=20 sum3=30066
Emax=6.93506569722 nrkept=126 nrkeptmult=256 
Total energy=-1.21235443908  Egs=-0.575953014524
Kept: 126 out of 126, ratio=1
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 3/42 (scale 0.20227538369485276) ***** 
[1] xi(2)=0.965171190957 zeta(3)=0
Stats: nr=21 min=1 max=75 sum3=1007202
Safeguard: keep additional 1 states
Emax=10.6081609567 nrkept=353 nrkeptmult=794 
Total energy=-1.53912661785  Egs=-1.6154816904
Kept: 353 out of 462, ratio=0.764
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 4/42 (scale 0.11678374722665809) ***** 
[1] xi(3)=0.987905295336 zeta(4)=0
Stats: nr=28 min=1 max=156 sum3=15556360
Safeguard: keep additional 7 states
Emax=10.2937151671 nrkept=420 nrkeptmult=976 
Total energy=-1.62046590494  Egs=-0.696494923496
Kept: 420 out of 1312, ratio=0.32
Memory used: 7 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 5/42 (scale 0.067425127898284254) ***** 
[1] xi(4)=0.995912883703 zeta(5)=0
Stats: nr=33 min=1 max=205 sum3=24752824
Safeguard: keep additional 1 states
Emax=10.6135236414 nrkept=389 nrkeptmult=874 
Total energy=-1.72735033282  Egs=-1.58523137008
Kept: 389 out of 1570, ratio=0.248
Memory used: 10 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 6/42 (scale 0.038927915742219356) ***** 
[1] xi(5)=0.998631389726 zeta(6)=0
Stats: nr=28 min=1 max=173 sum3=21206352
Safeguard: keep additional 7 states
Emax=10.3069808084 nrkept=420 nrkeptmult=976 
Total energy=-1.75630741325  Egs=-0.743864136518
Kept: 420 out of 1446, ratio=0.29
Memory used: 12 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 7/42 (scale 0.022475042632761417) ***** 
[1] xi(6)=0.999543100929 zeta(7)=0
Stats: nr=33 min=1 max=205 sum3=24752824
Safeguard: keep additional 1 states
Emax=10.0140688788 nrkept=357 nrkeptmult=806 
Total energy=-1.79072863391  Egs=-1.53153082811
Kept: 357 out of 1570, ratio=0.227
Memory used: 14 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 8/42 (scale 0.01297597191407312) ***** 
[1] xi(7)=0.999847622921 zeta(8)=0
Stats: nr=28 min=1 max=162 sum3=17066972
Emax=10.3553010232 nrkept=413 nrkeptmult=963 
Total energy=-1.80086442825  Egs=-0.781120243975
Kept: 413 out of 1334, ratio=0.31
Memory used: 14 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 9/42 (scale 0.0074916808775871389) ***** 
[1] xi(8)=0.999949199038 zeta(9)=0
Stats: nr=33 min=1 max=202 sum3=23580328
Safeguard: keep additional 3 states
Emax=10.0105910166 nrkept=347 nrkeptmult=784 
Total energy=-1.81194299483  Egs=-1.47878249978
Kept: 347 out of 1546, ratio=0.224
Memory used: 15 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 10/42 (scale 0.0043253239713577068) ***** 
[1] xi(9)=0.99998306539 zeta(10)=0
Stats: nr=28 min=1 max=155 sum3=15182254
Safeguard: keep additional 5 states
Emax=10.0202983673 nrkept=386 nrkeptmult=904 
Total energy=-1.81544153551  Egs=-0.808850552772
Kept: 386 out of 1294, ratio=0.298
Memory used: 14 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 11/42 (scale 0.0024972269591957133) ***** 
[1] xi(10)=0.999994355024 zeta(11)=0
Stats: nr=33 min=1 max=191 sum3=19657350
Safeguard: keep additional 1 states
Emax=10.0058267926 nrkept=311 nrkeptmult=700 
Total energy=-1.8190248158  Egs=-1.43490373265
Kept: 311 out of 1446, ratio=0.215
Memory used: 15 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 12/42 (scale 0.0014417746571192356) ***** 
[1] xi(11)=0.999998118329 zeta(12)=0
Stats: nr=28 min=1 max=139 sum3=11001130
Safeguard: keep additional 2 states
Emax=10.0458178995 nrkept=273 nrkeptmult=635 
Total energy=-1.82022675742  Egs=-0.833654283257
Kept: 273 out of 1156, ratio=0.236
Memory used: 15 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 13/42 (scale 0.00083240898639857098) ***** 
[1] xi(12)=0.999999372775 zeta(13)=0
Stats: nr=31 min=1 max=140 sum3=7520819
Safeguard: keep additional 4 states
Emax=10.0029639017 nrkept=212 nrkeptmult=490 
Total energy=-1.8213845763  Egs=-1.39092549982
Kept: 212 out of 1019, ratio=0.208
Memory used: 15 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 14/42 (scale 0.00048059155237307853) ***** 
[1] xi(13)=0.999999790925 zeta(14)=0
Stats: nr=26 min=1 max=98 sum3=3835826
Safeguard: keep additional 1 states
Emax=10.0143513006 nrkept=215 nrkeptmult=527 
Total energy=-1.82180138671  Egs=-0.867286168614
Kept: 215 out of 794, ratio=0.271
Memory used: 15 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 15/42 (scale 0.00027746966213285698) ***** 
[1] xi(14)=0.999999930308 zeta(15)=0
Stats: nr=31 min=1 max=110 sum3=3701580
Safeguard: keep additional 2 states
Emax=10.080526954 nrkept=182 nrkeptmult=434 
Total energy=-1.82217192382  Egs=-1.33541485282
Kept: 182 out of 810, ratio=0.225
Memory used: 15 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 16/42 (scale 0.00016019718412435953) ***** 
[1] xi(15)=0.999999976769 zeta(16)=0
Stats: nr=26 min=1 max=84 sum3=2471216
Safeguard: keep additional 2 states
Emax=10.4198234911 nrkept=213 nrkeptmult=523 
Total energy=-1.8223187126  Egs=-0.916300617119
Kept: 213 out of 686, ratio=0.31
Memory used: 15 MB  Time elapsed: 1 s

 ***** [NRG] Iteration 17/42 (scale 9.2489887377619005e-05) ***** 
[1] xi(16)=0.999999992256 zeta(17)=0
Stats: nr=31 min=1 max=108 sum3=3544234
Safeguard: keep additional 2 states
Emax=10.0608256752 nrkept=178 nrkeptmult=424 
Total energy=-1.82243536183  Egs=-1.26121065109
Kept: 178 out of 802, ratio=0.222
Memory used: 15 MB  Time elapsed: 1 s

 ***** [NRG] Iteration 18/42 (scale 5.33990613747865e-05) ***** 
[1] xi(17)=0.999999997419 zeta(18)=0
Stats: nr=26 min=1 max=82 sum3=2302678
Safeguard: keep additional 1 states
Emax=10.0053661631 nrkept=210 nrkeptmult=520 
Total energy=-1.82248807183  Egs=-0.987096147588
Kept: 210 out of 670, ratio=0.313
Memory used: 15 MB  Time elapsed: 1 s

 ***** [NRG] Iteration 19/42 (scale 3.0829962459206333e-05) ***** 
[1] xi(18)=0.99999999914 zeta(19)=0
Stats: nr=31 min=1 max=107 sum3=3439345
Safeguard: keep additional 1 states
Emax=10.0877108041 nrkept=177 nrkeptmult=414 
Total energy=-1.82252389078  Egs=-1.16182244888
Kept: 177 out of 793, ratio=0.223
Memory used: 15 MB  Time elapsed: 1 s

 ***** [NRG] Iteration 20/42 (scale 1.7799687124928835e-05) ***** 
[1] xi(19)=0.999999999713 zeta(20)=0
Stats: nr=26 min=1 max=83 sum3=2328838
Emax=10.0335879691 nrkept=207 nrkeptmult=513 
Total energy=-1.82254328282  Egs=-1.08945972642
Kept: 207 out of 664, ratio=0.312
Memory used: 15 MB  Time elapsed: 1 s

 ***** [NRG] Iteration 21/42 (scale 1.0276654153068778e-05) ***** 
[1] xi(20)=0.999999999904 zeta(21)=0
Stats: nr=31 min=1 max=104 sum3=3210253
Safeguard: keep additional 1 states
Emax=10.058717554 nrkept=177 nrkeptmult=414 
Total energy=-1.82255389995  Egs=-1.03313103981
Kept: 177 out of 781, ratio=0.227
Memory used: 15 MB  Time elapsed: 1 s

 ***** [NRG] Iteration 22/42 (scale 5.9332290416429446e-06) ***** 
[1] xi(21)=0.999999999968 zeta(22)=0
Stats: nr=26 min=1 max=83 sum3=2328838
Safeguard: keep additional 1 states
Emax=10.0695901782 nrkept=190 nrkeptmult=444 
Total energy=-1.82256121567  Egs=-1.23300837811
Kept: 190 out of 664, ratio=0.286
Memory used: 15 MB  Time elapsed: 1 s

 ***** [NRG] Iteration 23/42 (scale 3.4255513843562592e-06) ***** 
[1] xi(22)=0.999999999989 zeta(23)=0
Stats: nr=29 min=1 max=101 sum3=2796462
Emax=10.014708113 nrkept=169 nrkeptmult=396 
Total energy=-1.82256425002  Egs=-0.885798579603
Kept: 169 out of 714, ratio=0.237
Memory used: 15 MB  Time elapsed: 1 s

 ***** [NRG] Iteration 24/42 (scale 1.9777430138809818e-06) ***** 
[1] xi(23)=0.999999999996 zeta(24)=0
Stats: nr=26 min=1 max=79 sum3=2005426
Safeguard: keep additional 2 states
Emax=10.0428525811 nrkept=168 nrkeptmult=384 
Total energy=-1.8225670361  Egs=-1.40872001238
Kept: 168 out of 634, ratio=0.265
Memory used: 15 MB  Time elapsed: 1 s

 ***** [NRG] Iteration 25/42 (scale 1.1418504614520865e-06) ***** 
[1] xi(24)=0.999999999999 zeta(25)=0
Stats: nr=27 min=1 max=91 sum3=1985967
Emax=10.0556067461 nrkept=163 nrkeptmult=378 
Total energy=-1.82256790137  Egs=-0.757777712978
Kept: 163 out of 627, ratio=0.26
Memory used: 15 MB  Time elapsed: 1 s

 ***** [NRG] Iteration 26/42 (scale 6.592476712936605e-07) ***** 
[1] xi(25)=1 zeta(26)=0
Stats: nr=26 min=1 max=76 sum3=1811914
Safeguard: keep additional 1 states
Emax=10.0454943504 nrkept=146 nrkeptmult=316 
Total energy=-1.82256893387  Egs=-1.56616671371
Kept: 146 out of 610, ratio=0.239
Memory used: 15 MB  Time elapsed: 1 s

 ***** [NRG] Iteration 27/42 (scale 3.8061682048402881e-07) ***** 
[1] xi(26)=1 zeta(27)=0
Stats: nr=21 min=1 max=83 sum3=1446584
Safeguard: keep additional 2 states
Emax=10.0052515927 nrkept=150 nrkeptmult=334 
Total energy=-1.82256919321  Egs=-0.68137849214
Kept: 150 out of 542, ratio=0.277
Memory used: 15 MB  Time elapsed: 1 s

 ***** [NRG] Iteration 28/42 (scale 2.1974922376455349e-07) ***** 
[1] xi(27)=1 zeta(28)=0
Stats: nr=25 min=1 max=71 sum3=1416414
Safeguard: keep additional 2 states
Emax=10.0413536817 nrkept=124 nrkeptmult=264 
Total energy=-1.8225695578  Egs=-1.65912577659
Kept: 124 out of 558, ratio=0.222
Memory used: 15 MB  Time elapsed: 1 s

 ***** [NRG] Iteration 29/42 (scale 1.2687227349467628e-07) ***** 
[1] xi(28)=1 zeta(29)=0
Stats: nr=21 min=1 max=71 sum3=898419
Safeguard: keep additional 2 states
Emax=10.0429178303 nrkept=139 nrkeptmult=312 
Total energy=-1.82256963998  Egs=-0.647760558994
Kept: 139 out of 459, ratio=0.303
Memory used: 15 MB  Time elapsed: 1 s

 ***** [NRG] Iteration 30/42 (scale 7.3249741254851168e-08) ***** 
[1] xi(29)=1 zeta(30)=0
Stats: nr=25 min=1 max=67 sum3=1198726
Safeguard: keep additional 3 states
Emax=10.1241534161 nrkept=114 nrkeptmult=236 
Total energy=-1.82256976443  Egs=-1.69891637987
Kept: 114 out of 520, ratio=0.219
Memory used: 15 MB  Time elapsed: 1 s

 ***** [NRG] Iteration 31/42 (scale 4.2290757831558757e-08) ***** 
[1] xi(30)=1 zeta(31)=0
Stats: nr=21 min=1 max=65 sum3=686951
Safeguard: keep additional 1 states
Emax=10.0208111717 nrkept=114 nrkeptmult=250 
Total energy=-1.82256979129  Egs=-0.635222425779
Kept: 114 out of 419, ratio=0.272
Memory used: 16 MB  Time elapsed: 1 s

 ***** [NRG] Iteration 32/42 (scale 2.4416580418283724e-08) ***** 
[1] xi(31)=1 zeta(32)=0
Stats: nr=25 min=1 max=55 sum3=652984
Safeguard: keep additional 1 states
Emax=10.3308047454 nrkept=108 nrkeptmult=220 
Total energy=-1.82256983313  Egs=-1.71346112073
Kept: 108 out of 424, ratio=0.255
Memory used: 16 MB  Time elapsed: 1 s

 ***** [NRG] Iteration 33/42 (scale 1.4096919277186252e-08) ***** 
[1] xi(32)=1 zeta(33)=0
Stats: nr=21 min=1 max=63 sum3=612299
Emax=10.1925786333 nrkept=112 nrkeptmult=244 
Total energy=-1.82256984202  Egs=-0.630867619654
Kept: 112 out of 395, ratio=0.284
Memory used: 16 MB  Time elapsed: 1 s

 ***** [NRG] Iteration 34/42 (scale 8.1388601394279074e-09) ***** 
[1] xi(33)=1 zeta(34)=0
Stats: nr=25 min=1 max=54 sum3=614330
Safeguard: keep additional 1 states
Emax=10.5076542448 nrkept=108 nrkeptmult=220 
Total energy=-1.82256985601  Egs=-1.71846588627
Kept: 108 out of 416, ratio=0.26
Memory used: 16 MB  Time elapsed: 1 s

 ***** [NRG] Iteration 35/42 (scale 4.6989730923954177e-09) ***** 
[1] xi(34)=1 zeta(35)=0
Stats: nr=21 min=1 max=63 sum3=612299
Emax=10.2533076255 nrkept=112 nrkeptmult=244 
Total energy=-1.82256985897  Egs=-0.629395191024
Kept: 112 out of 395, ratio=0.284
Memory used: 16 MB  Time elapsed: 1 s

 ***** [NRG] Iteration 36/42 (scale 2.7129533798093026e-09) ***** 
[1] xi(35)=1 zeta(36)=0
Stats: nr=25 min=1 max=54 sum3=614330
Safeguard: keep additional 1 states
Emax=10.5688001769 nrkept=108 nrkeptmult=220 
Total energy=-1.82256986363  Egs=-1.72015210068
Kept: 108 out of 416, ratio=0.26
Memory used: 16 MB  Time elapsed: 1 s

 ***** [NRG] Iteration 37/42 (scale 1.5663243641318058e-09) ***** 
[1] xi(36)=1 zeta(37)=0
Stats: nr=21 min=1 max=63 sum3=612299
Emax=10.273354419 nrkept=112 nrkeptmult=244 
Total energy=-1.82256986462  Egs=-0.628902013496
Kept: 112 out of 395, ratio=0.284
Memory used: 16 MB  Time elapsed: 1 s

 ***** [NRG] Iteration 38/42 (scale 9.0431779326976753e-10) ***** 
[1] xi(37)=1 zeta(38)=0
Stats: nr=25 min=1 max=54 sum3=614330
Safeguard: keep additional 1 states
Emax=10.5882102979 nrkept=108 nrkeptmult=220 
Total energy=-1.82256986618  Egs=-1.72071618687
Kept: 108 out of 416, ratio=0.26
Memory used: 16 MB  Time elapsed: 1 s

 ***** [NRG] Iteration 39/42 (scale 5.2210812137726861e-10) ***** 
[1] xi(38)=1 zeta(39)=0
Stats: nr=21 min=1 max=63 sum3=612299
Emax=10.2800302937 nrkept=112 nrkeptmult=244 
Total energy=-1.8225698665  Egs=-0.628737355887
Kept: 112 out of 395, ratio=0.284
Memory used: 16 MB  Time elapsed: 1 s

 ***** [NRG] Iteration 40/42 (scale 3.0143926442325579e-10) ***** 
[1] xi(39)=1 zeta(40)=0
Stats: nr=25 min=1 max=54 sum3=614330
Safeguard: keep additional 1 states
Emax=10.5915243332 nrkept=108 nrkeptmult=224 
Total energy=-1.82256986702  Egs=-1.72090443074
Kept: 108 out of 416, ratio=0.26
Memory used: 16 MB  Time elapsed: 1 s

 ***** [NRG] Iteration 41/42 (scale 1.7403604045908955e-10) ***** 
[1] xi(40)=1 zeta(41)=0
Stats: nr=21 min=1 max=61 sum3=575735
Emax=10.2822512302 nrkept=112 nrkeptmult=244 
Total energy=-1.82256986713  Egs=-0.628682439978
Kept: 112 out of 395, ratio=0.284
Memory used: 16 MB  Time elapsed: 1 s

 ***** [NRG] Iteration 42/42 (scale 1.0047975480775194e-10) ***** 
[1] xi(41)=1 zeta(42)=0
Stats: nr=25 min=1 max=54 sum3=614330
Safeguard: keep additional 1 states
Emax=10.5923208848 nrkept=108 nrkeptmult=224 
Total energy=-1.8225698673  Egs=-1.72096719647
Kept: 108 out of 416, ratio=0.26
Memory used: 16 MB  Time elapsed: 1 s

** Iteration completed.


Total energy:             -1.822569867304583
TKW=1.11200507227e-06
Grand canonical Z=              5.363922195611964
Zft (last shell)=               5.362028167672269

Memory usage report
===================
  after diag: 16536 kB
after recalc: 16556 kB
 after split: 16552 kB
  after trim: 16556 kB
 after trunc: 16540 kB
      diag_h: 16536 kB

Peak usage: 16556 kB

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