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=20
TEMPERATURE T=1e-10
Nmax=20
Tmin=1e-10
Ninit=0
Lambda=12
strategy=kept
lastall=1
lastalloverride=0
z=0.3125
discretization=Z
band=flat
betabar=1
T=1e-10
T_ratio=1
Tmin_ratio=-999
keep=10000
keepenergy=10
keepmin=0
keepblock=0
keepzrescale=0
log=
logall=0
logenumber=10
smooth=new
alpha=0.3
omega0=1e-99
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=0.1
broaden_min=1e-08
broaden_min_ratio=3
broaden_ratio=1.02
dumpenergies=0
saveall=0
dumpannotated=0
dumpscaled=1
dumpabs=0
dumpprecision=8
dumpgroups=1
grouptol=1e-06
dumpdiagonal=0
ops=A_d
specs=
specd=A_d-A_d
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=1
T0opt=-1
dmnrg=0
cfs=0
fdm=1
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=	0.001	 Delta=	0	 t=	0.
>> 
>>  Gamma^(1/2)=	0.0252313252202016
>>  Lambda=	12.	 BAND=	flat
>>  DISCRETIZATION=	Z	 z=	0.3125
>>  ops=	A_d
V7
>>  Number of channels, impurities, subspaces: 
channels=1 impurities=1 subspaces=6
Reading <||||> (e)
Reading <||A_d||> (d)
Reading <||||> (z)

# $Id: nrg.cc,v 1.31 2012/10/26 10:18:22 rokzitko Exp rokzitko $ QS
# disk=Z band=flat Lambda=12 z=0.3125
# keep=10000 keepenergy=10 Nmax=20 channels=1 dots=1 betabar=1

Number of invariant subspaces: 6
(-2 1) 1 states
0.00751705650515 
(-1 2) 2 states
0.00356819274992 0.0107570921801 
(0 1) 3 states
0 0.00751705650515 0.01432528493 
(0 3) 1 states
0.00680822842487 
(1 2) 2 states
0.00356819274992 0.0107570921801 
(2 1) 1 states
0.00751705650515 
Number of states (multiplicity taken into account): 16

Computing the following operators:
s=[]
p=[]
g=[]
d=[A_d ]
v=[]
t=[]

Computing the following spectra:

Before NRG iteration (N=-1)

 ***** [NRG] Iteration 1/20 (scale 2.0362845563520269) ***** 
[1] xi(0)=0.330982274027 zeta(1)=0
Stats: nr=10 min=1 max=8 sum3=1055
Emax=1.32730515062 nrkept=35 nrkeptmult=64 
Total energy=-1.34888548989  Egs=-0.638840453979
Kept: 35 out of 35, ratio=1
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 2/20 (scale 0.58782471837826022) ***** 
[1] xi(1)=0.996783868654 zeta(2)=0
Stats: nr=15 min=1 max=20 sum3=30066
Emax=6.19138733243 nrkept=126 nrkeptmult=256 
Total energy=-1.81722525753  Egs=-0.796733708192
Kept: 126 out of 126, ratio=1
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 3/20 (scale 0.16969037969600226) ***** 
[1] xi(2)=1.28176153303 zeta(3)=0
Stats: nr=21 min=1 max=75 sum3=1007202
Emax=10.6660568319 nrkept=148 nrkeptmult=324 
Total energy=-2.13571414644  Egs=-1.87688241065
Kept: 148 out of 462, ratio=0.32
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 4/20 (scale 0.04898539319818835) ***** 
[1] xi(3)=1.04011533369 zeta(4)=0
Stats: nr=25 min=1 max=71 sum3=1411012
Safeguard: keep additional 1 states
Emax=10.4375559374 nrkept=88 nrkeptmult=180 
Total energy=-2.15843453384  Egs=-0.463819639242
Kept: 88 out of 550, ratio=0.16
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 5/20 (scale 0.014140864974666855) ***** 
[1] xi(4)=1.00249073486 zeta(5)=0
Stats: nr=21 min=1 max=51 sum3=323951
Safeguard: keep additional 1 states
Emax=12.0543668125 nrkept=37 nrkeptmult=70 
Total energy=-2.17929870223  Egs=-1.47545206262
Kept: 37 out of 323, ratio=0.115
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 6/20 (scale 0.0040821160998490294) ***** 
[1] xi(5)=1.00019522684 zeta(6)=0
Stats: nr=15 min=1 max=21 sum3=34502
Safeguard: keep additional 1 states
Emax=10.9921008466 nrkept=88 nrkeptmult=180 
Total energy=-2.18170396754  Egs=-0.589220211083
Kept: 88 out of 134, ratio=0.657
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 7/20 (scale 0.0011784054145555711) ***** 
[1] xi(6)=1.00001619997 zeta(7)=0
Stats: nr=21 min=1 max=51 sum3=323951
Safeguard: keep additional 1 states
Emax=12.5237369097 nrkept=37 nrkeptmult=70 
Total energy=-2.18304197484  Egs=-1.1354388527
Kept: 37 out of 323, ratio=0.115
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 8/20 (scale 0.00034017634165408575) ***** 
[1] xi(7)=1.00000134954 zeta(8)=0
Stats: nr=15 min=1 max=21 sum3=34502
Safeguard: keep additional 1 states
Emax=11.1772748243 nrkept=46 nrkeptmult=100 
Total energy=-2.18330855621  Egs=-0.783656421789
Kept: 46 out of 134, ratio=0.343
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 9/20 (scale 9.8200451212964265e-05) ***** 
[1] xi(8)=1.00000011246 zeta(9)=0
Stats: nr=19 min=1 max=29 sum3=54903
Safeguard: keep additional 2 states
Emax=10.0273392397 nrkept=32 nrkeptmult=60 
Total energy=-2.18338097766  Egs=-0.737485892288
Kept: 32 out of 171, ratio=0.187
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 10/20 (scale 2.8348028471173817e-05) ***** 
[1] xi(9)=1.00000000937 zeta(10)=0
Stats: nr=15 min=1 max=18 sum3=21470
Emax=10.4836410038 nrkept=35 nrkeptmult=75 
Total energy=-2.18341732607  Egs=-1.28222019057
Kept: 35 out of 116, ratio=0.302
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 11/20 (scale 8.1833709344136893e-06) ***** 
[1] xi(10)=1.00000000078 zeta(11)=0
Stats: nr=18 min=1 max=23 sum3=26651
Emax=11.7961545708 nrkept=33 nrkeptmult=62 
Total energy=-2.18342054079  Egs=-0.392835262611
Kept: 33 out of 131, ratio=0.252
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 12/20 (scale 2.3623357059311514e-06) ***** 
[1] xi(11)=1.00000000007 zeta(12)=0
Stats: nr=15 min=1 max=19 sum3=25074
Safeguard: keep additional 2 states
Emax=10.1975288316 nrkept=17 nrkeptmult=33 
Total energy=-2.18342479624  Egs=-1.80137450298
Kept: 17 out of 120, ratio=0.142
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 13/20 (scale 6.8194757786780748e-07) ***** 
[1] xi(12)=1.00000000001 zeta(13)=0
Stats: nr=14 min=1 max=13 sum3=4190
Emax=10.0697176461 nrkept=25 nrkeptmult=46 
Total energy=-2.18342500441  Egs=-0.305259157896
Kept: 25 out of 62, ratio=0.403
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 14/20 (scale 1.9686130882759593e-07) ***** 
[1] xi(13)=1 zeta(14)=0
Stats: nr=15 min=1 max=14 sum3=10488
Safeguard: keep additional 1 states
Emax=11.6591226851 nrkept=12 nrkeptmult=20 
Total energy=-2.18342538042  Egs=-1.91004533657
Kept: 12 out of 90, ratio=0.133
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 15/20 (scale 5.6828964822317287e-08) ***** 
[1] xi(14)=1 zeta(15)=0
Stats: nr=10 min=1 max=10 sum3=1945
Emax=10.3592515349 nrkept=25 nrkeptmult=46 
Total energy=-2.18342539723  Egs=-0.295770149015
Kept: 25 out of 43, ratio=0.581
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 16/20 (scale 1.6405109068966328e-08) ***** 
[1] xi(15)=1 zeta(16)=0
Stats: nr=15 min=1 max=14 sum3=10488
Safeguard: keep additional 1 states
Emax=11.9710927944 nrkept=12 nrkeptmult=20 
Total energy=-2.18342542874  Egs=-1.92034055059
Kept: 12 out of 90, ratio=0.133
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 17/20 (scale 4.7357470685264401e-09) ***** 
[1] xi(16)=1 zeta(17)=0
Stats: nr=10 min=1 max=10 sum3=1945
Emax=10.3867639251 nrkept=25 nrkeptmult=46 
Total energy=-2.18342543013  Egs=-0.29495381732
Kept: 25 out of 43, ratio=0.581
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 18/20 (scale 1.3670924224138606e-09) ***** 
[1] xi(17)=1 zeta(18)=0
Stats: nr=15 min=1 max=14 sum3=10488
Safeguard: keep additional 1 states
Emax=11.9976309169 nrkept=12 nrkeptmult=20 
Total energy=-2.18342543276  Egs=-1.92120814625
Kept: 12 out of 90, ratio=0.133
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 19/20 (scale 3.9464558904387007e-10) ***** 
[1] xi(18)=1 zeta(19)=0
Stats: nr=10 min=1 max=10 sum3=1945
Emax=10.3890820301 nrkept=25 nrkeptmult=46 
Total energy=-2.18342543288  Egs=-0.294885612096
Kept: 25 out of 43, ratio=0.581
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 20/20 (scale 1.1392436853448838e-10) ***** 
[1] xi(19)=1 zeta(20)=0
Stats: nr=15 min=1 max=14 sum3=10488
Safeguard: keep additional 1 states
Emax=11.9998452538 nrkept=90 nrkeptmult=184 
Total energy=-2.1834254331  Egs=-1.92128050142
Kept: 90 out of 90, ratio=1
Memory used: 4 MB  Time elapsed: 0 s

** Iteration completed.


Total energy:             -2.183425433095217
TKW=3.91291577969e-05
Grand canonical Z=              3.186579608290059
Zft (last shell)=               3.186574525059196
Calculating density matrices.
Calculating full density matrices.

>>  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=	0.001	 Delta=	0	 t=	0.
>> 
>>  Gamma^(1/2)=	0.0252313252202016
>>  Lambda=	12.	 BAND=	flat
>>  DISCRETIZATION=	Z	 z=	0.3125
>>  ops=	A_d
V7
>>  Number of channels, impurities, subspaces: 
channels=1 impurities=1 subspaces=6
Reading <||||> (e)
Reading <||A_d||> (d)
Reading <||||> (z)
Number of invariant subspaces: 6
(-2 1) 1 states
0.00751705650515 
(-1 2) 2 states
0.00356819274992 0.0107570921801 
(0 1) 3 states
0 0.00751705650515 0.01432528493 
(0 3) 1 states
0.00680822842487 
(1 2) 2 states
0.00356819274992 0.0107570921801 
(2 1) 1 states
0.00751705650515 
Number of states (multiplicity taken into account): 16

Computing the following operators:
s=[]
p=[]
g=[]
d=[A_d ]
v=[]
t=[]

Computing the following spectra:
Spectrum: A_d-A_d FDM

 ***** [DMNRG] Iteration 1/20 (scale 2.0362845563520269) ***** 
[1] xi(0)=0.330982274027 zeta(1)=0
Stats: nr=10 min=1 max=8 sum3=1055
Emax=1.32730515062 nrkept=35 nrkeptmult=64 
Kept: 35 out of 35, ratio=1
Memory used: 5 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 2/20 (scale 0.58782471837826022) ***** 
[1] xi(1)=0.996783868654 zeta(2)=0
Stats: nr=15 min=1 max=20 sum3=30066
Emax=6.19138733243 nrkept=126 nrkeptmult=256 
Kept: 126 out of 126, ratio=1
Memory used: 5 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 3/20 (scale 0.16969037969600226) ***** 
[1] xi(2)=1.28176153303 zeta(3)=0
Stats: nr=21 min=1 max=75 sum3=1007202
Emax=10.6660568319 nrkept=148 nrkeptmult=324 
Kept: 148 out of 462, ratio=0.32
Memory used: 6 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 4/20 (scale 0.04898539319818835) ***** 
[1] xi(3)=1.04011533369 zeta(4)=0
Stats: nr=25 min=1 max=71 sum3=1411012
Safeguard: keep additional 1 states
Emax=10.4375559374 nrkept=88 nrkeptmult=180 
Kept: 88 out of 550, ratio=0.16
Memory used: 6 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 5/20 (scale 0.014140864974666855) ***** 
[1] xi(4)=1.00249073486 zeta(5)=0
Stats: nr=21 min=1 max=51 sum3=323951
Safeguard: keep additional 1 states
Emax=12.0543668125 nrkept=37 nrkeptmult=70 
Kept: 37 out of 323, ratio=0.115
Memory used: 6 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 6/20 (scale 0.0040821160998490294) ***** 
[1] xi(5)=1.00019522684 zeta(6)=0
Stats: nr=15 min=1 max=21 sum3=34502
Safeguard: keep additional 1 states
Emax=10.9921008466 nrkept=88 nrkeptmult=180 
Kept: 88 out of 134, ratio=0.657
Memory used: 6 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 7/20 (scale 0.0011784054145555711) ***** 
[1] xi(6)=1.00001619997 zeta(7)=0
Stats: nr=21 min=1 max=51 sum3=323951
Safeguard: keep additional 1 states
Emax=12.5237369097 nrkept=37 nrkeptmult=70 
Kept: 37 out of 323, ratio=0.115
Memory used: 6 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 8/20 (scale 0.00034017634165408575) ***** 
[1] xi(7)=1.00000134954 zeta(8)=0
Stats: nr=15 min=1 max=21 sum3=34502
Safeguard: keep additional 1 states
Emax=11.1772748243 nrkept=46 nrkeptmult=100 
Kept: 46 out of 134, ratio=0.343
Memory used: 6 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 9/20 (scale 9.8200451212964265e-05) ***** 
[1] xi(8)=1.00000011246 zeta(9)=0
Stats: nr=19 min=1 max=29 sum3=54903
Safeguard: keep additional 2 states
Emax=10.0273392397 nrkept=32 nrkeptmult=60 
Kept: 32 out of 171, ratio=0.187
Memory used: 6 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 10/20 (scale 2.8348028471173817e-05) ***** 
[1] xi(9)=1.00000000937 zeta(10)=0
Stats: nr=15 min=1 max=18 sum3=21470
Emax=10.4836410038 nrkept=35 nrkeptmult=75 
Kept: 35 out of 116, ratio=0.302
Memory used: 6 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 11/20 (scale 8.1833709344136893e-06) ***** 
[1] xi(10)=1.00000000078 zeta(11)=0
Stats: nr=18 min=1 max=23 sum3=26651
Emax=11.7961545708 nrkept=33 nrkeptmult=62 
Kept: 33 out of 131, ratio=0.252
Memory used: 6 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 12/20 (scale 2.3623357059311514e-06) ***** 
[1] xi(11)=1.00000000007 zeta(12)=0
Stats: nr=15 min=1 max=19 sum3=25074
Safeguard: keep additional 2 states
Emax=10.1975288316 nrkept=17 nrkeptmult=33 
Kept: 17 out of 120, ratio=0.142
Memory used: 6 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 13/20 (scale 6.8194757786780748e-07) ***** 
[1] xi(12)=1.00000000001 zeta(13)=0
Stats: nr=14 min=1 max=13 sum3=4190
Emax=10.0697176461 nrkept=25 nrkeptmult=46 
Kept: 25 out of 62, ratio=0.403
Memory used: 6 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 14/20 (scale 1.9686130882759593e-07) ***** 
[1] xi(13)=1 zeta(14)=0
Stats: nr=15 min=1 max=14 sum3=10488
Safeguard: keep additional 1 states
Emax=11.6591226851 nrkept=12 nrkeptmult=20 
Kept: 12 out of 90, ratio=0.133
Memory used: 7 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 15/20 (scale 5.6828964822317287e-08) ***** 
[1] xi(14)=1 zeta(15)=0
Stats: nr=10 min=1 max=10 sum3=1945
Emax=10.3592515349 nrkept=25 nrkeptmult=46 
Kept: 25 out of 43, ratio=0.581
Memory used: 7 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 16/20 (scale 1.6405109068966328e-08) ***** 
[1] xi(15)=1 zeta(16)=0
Stats: nr=15 min=1 max=14 sum3=10488
Safeguard: keep additional 1 states
Emax=11.9710927944 nrkept=12 nrkeptmult=20 
Kept: 12 out of 90, ratio=0.133
Memory used: 7 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 17/20 (scale 4.7357470685264401e-09) ***** 
[1] xi(16)=1 zeta(17)=0
Stats: nr=10 min=1 max=10 sum3=1945
Emax=10.3867639251 nrkept=25 nrkeptmult=46 
Kept: 25 out of 43, ratio=0.581
Memory used: 7 MB  Time elapsed: 1 s

 ***** [DMNRG] Iteration 18/20 (scale 1.3670924224138606e-09) ***** 
[1] xi(17)=1 zeta(18)=0
Stats: nr=15 min=1 max=14 sum3=10488
Safeguard: keep additional 1 states
Emax=11.9976309169 nrkept=12 nrkeptmult=20 
Kept: 12 out of 90, ratio=0.133
Memory used: 7 MB  Time elapsed: 1 s

 ***** [DMNRG] Iteration 19/20 (scale 3.9464558904387007e-10) ***** 
[1] xi(18)=1 zeta(19)=0
Stats: nr=10 min=1 max=10 sum3=1945
Emax=10.3890820301 nrkept=25 nrkeptmult=46 
Kept: 25 out of 43, ratio=0.581
Memory used: 7 MB  Time elapsed: 1 s

 ***** [DMNRG] Iteration 20/20 (scale 1.1392436853448838e-10) ***** 
[1] xi(19)=1 zeta(20)=0
Stats: nr=15 min=1 max=14 sum3=10488
Safeguard: keep additional 1 states
Emax=11.9998452538 nrkept=90 nrkeptmult=184 
Kept: 90 out of 90, ratio=1
Memory used: 7 MB  Time elapsed: 1 s

** Iteration completed.

Spectrum: A_d-A_d FDM
[A_d-A_d] pos=0.499999999998 neg=0.499999999998 sum= 0.999999999995
mu1=-6.50521303491e-18 mu2=0.000665633291279 mu3=-4.58075417875e-18 mu4=0.00029019026745


Memory usage report
===================
  after diag: 7288 kB
after recalc: 7288 kB
 after split: 7288 kB
  after trim: 7288 kB
 after trunc: 7288 kB
      diag_h: 4852 kB

Peak usage: 7288 kB

Timing report
=============
         All: 1 s
          DM: 0 s
         FDM: 0 s
     broaden: 0 s
        diag: 0 s
    recalc d: 0 s
      spec d: 0 s
       Other: 1 s
