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=0.25
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=	0.25
>>  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=0.25
# keep=10000 keepenergy=10 Nmax=20 channels=1 dots=1 betabar=1

Number of invariant subspaces: 6
(-2 1) 1 states
0.00643574735596 
(-1 2) 2 states
0.00305491744543 0.00920971227347 
(0 1) 3 states
0 0.00643574735596 0.0122646297189 
(0 3) 1 states
0.00582888236295 
(1 2) 2 states
0.00305491744543 0.00920971227347 
(2 1) 1 states
0.00643574735596 
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 2.3784131389940555) ***** 
[1] xi(0)=0.274074237604 zeta(1)=0
Stats: nr=10 min=1 max=8 sum3=1055
Emax=1.09921388246 nrkept=35 nrkeptmult=64 
Total energy=-1.3046923703  Egs=-0.52836397942
Kept: 35 out of 35, ratio=1
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 2/20 (scale 0.6865887330211804) ***** 
[1] xi(1)=0.93648463703 zeta(2)=0
Stats: nr=15 min=1 max=20 sum3=30066
Emax=5.43876135116 nrkept=126 nrkeptmult=256 
Total energy=-1.86459613265  Egs=-0.815486382776
Kept: 126 out of 126, ratio=1
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 3/20 (scale 0.1982010949161713) ***** 
[1] xi(2)=1.36993476474 zeta(3)=0
Stats: nr=21 min=1 max=75 sum3=1007202
Safeguard: keep additional 11 states
Emax=10.4061596393 nrkept=172 nrkeptmult=380 
Total energy=-2.25245871357  Egs=-1.95691442113
Kept: 172 out of 462, ratio=0.372
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 4/20 (scale 0.057215727751765033) ***** 
[1] xi(3)=1.05984577349 zeta(4)=0
Stats: nr=25 min=1 max=81 sum3=2125724
Safeguard: keep additional 1 states
Emax=10.4305260348 nrkept=88 nrkeptmult=180 
Total energy=-2.27894044639  Egs=-0.462840094057
Kept: 88 out of 638, ratio=0.138
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 5/20 (scale 0.016516757909680942) ***** 
[1] xi(4)=1.00343123077 zeta(5)=0
Stats: nr=21 min=1 max=51 sum3=323951
Safeguard: keep additional 1 states
Emax=12.0467262339 nrkept=37 nrkeptmult=70 
Total energy=-2.3036547196  Egs=-1.49631503635
Kept: 37 out of 323, ratio=0.115
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 6/20 (scale 0.0047679773126470858) ***** 
[1] xi(5)=1.00026244891 zeta(6)=0
Stats: nr=15 min=1 max=21 sum3=34502
Safeguard: keep additional 1 states
Emax=10.9001727609 nrkept=88 nrkeptmult=180 
Total energy=-2.30642389354  Egs=-0.580785887824
Kept: 88 out of 134, ratio=0.657
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 7/20 (scale 0.0013763964924734117) ***** 
[1] xi(6)=1.00002174851 zeta(7)=0
Stats: nr=21 min=1 max=51 sum3=323951
Safeguard: keep additional 1 states
Emax=12.4611814289 nrkept=37 nrkeptmult=70 
Total energy=-2.30801598747  Egs=-1.15671170593
Kept: 37 out of 323, ratio=0.115
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 8/20 (scale 0.0003973314427205905) ***** 
[1] xi(7)=1.00000181159 zeta(8)=0
Stats: nr=15 min=1 max=21 sum3=34502
Safeguard: keep additional 1 states
Emax=11.07892835 nrkept=46 nrkeptmult=100 
Total energy=-2.3083200005  Egs=-0.765137104807
Kept: 46 out of 134, ratio=0.343
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 9/20 (scale 0.00011469970770611765) ***** 
[1] xi(8)=1.00000015096 zeta(9)=0
Stats: nr=19 min=1 max=29 sum3=54903
Safeguard: keep additional 2 states
Emax=10.0445189618 nrkept=32 nrkeptmult=60 
Total energy=-2.30840774036  Egs=-0.764952764779
Kept: 32 out of 171, ratio=0.187
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 10/20 (scale 3.3110953560049206e-05) ***** 
[1] xi(9)=1.00000001258 zeta(10)=0
Stats: nr=15 min=1 max=18 sum3=21470
Emax=10.2773742909 nrkept=35 nrkeptmult=75 
Total energy=-2.30844883882  Egs=-1.24123444488
Kept: 35 out of 116, ratio=0.302
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 11/20 (scale 9.5583089755098034e-06) ***** 
[1] xi(10)=1.00000000105 zeta(11)=0
Stats: nr=18 min=1 max=23 sum3=26651
Emax=11.6788173142 nrkept=33 nrkeptmult=62 
Total energy=-2.30845271473  Egs=-0.405502150168
Kept: 33 out of 131, ratio=0.252
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 12/20 (scale 2.7592461300041009e-06) ***** 
[1] xi(11)=1.00000000009 zeta(12)=0
Stats: nr=15 min=1 max=19 sum3=25074
Safeguard: keep additional 1 states
Emax=10.2079469871 nrkept=19 nrkeptmult=37 
Total energy=-2.30845763747  Egs=-1.78408686794
Kept: 19 out of 120, ratio=0.158
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 13/20 (scale 7.9652574795915039e-07) ***** 
[1] xi(12)=1.00000000001 zeta(13)=0
Stats: nr=14 min=1 max=15 sum3=6322
Emax=10.0241285023 nrkept=25 nrkeptmult=46 
Total energy=-2.30845788195  Egs=-0.306934922144
Kept: 25 out of 70, ratio=0.357
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 14/20 (scale 2.2993717750034174e-07) ***** 
[1] xi(13)=1 zeta(14)=0
Stats: nr=15 min=1 max=14 sum3=10488
Safeguard: keep additional 1 states
Emax=11.6037694172 nrkept=12 nrkeptmult=20 
Total energy=-2.30845832071  Egs=-1.9081945672
Kept: 12 out of 90, ratio=0.133
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 15/20 (scale 6.6377145663262528e-08) ***** 
[1] xi(14)=1 zeta(15)=0
Stats: nr=10 min=1 max=10 sum3=1945
Emax=10.3543010642 nrkept=25 nrkeptmult=46 
Total energy=-2.30845834035  Egs=-0.295918383003
Kept: 25 out of 43, ratio=0.581
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 16/20 (scale 1.9161431458361808e-08) ***** 
[1] xi(15)=1 zeta(16)=0
Stats: nr=15 min=1 max=14 sum3=10488
Safeguard: keep additional 1 states
Emax=11.9662656191 nrkept=12 nrkeptmult=20 
Total energy=-2.30845837715  Egs=-1.92018280835
Kept: 12 out of 90, ratio=0.133
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 17/20 (scale 5.531428805271877e-09) ***** 
[1] xi(16)=1 zeta(17)=0
Stats: nr=10 min=1 max=10 sum3=1945
Emax=10.3863421185 nrkept=25 nrkeptmult=46 
Total energy=-2.30845837878  Egs=-0.294966237229
Kept: 25 out of 43, ratio=0.581
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 18/20 (scale 1.5967859548634843e-09) ***** 
[1] xi(17)=1 zeta(18)=0
Stats: nr=15 min=1 max=14 sum3=10488
Safeguard: keep additional 1 states
Emax=11.9972275106 nrkept=12 nrkeptmult=20 
Total energy=-2.30845838185  Egs=-1.9211949784
Kept: 12 out of 90, ratio=0.133
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 19/20 (scale 4.609524004393231e-10) ***** 
[1] xi(18)=1 zeta(19)=0
Stats: nr=10 min=1 max=10 sum3=1945
Emax=10.3890468215 nrkept=25 nrkeptmult=46 
Total energy=-2.30845838198  Egs=-0.29488664735
Kept: 25 out of 43, ratio=0.581
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 20/20 (scale 1.3306549623862369e-10) ***** 
[1] xi(19)=1 zeta(20)=0
Stats: nr=15 min=1 max=14 sum3=10488
Safeguard: keep additional 1 states
Emax=11.9998116362 nrkept=90 nrkeptmult=184 
Total energy=-2.30845838224  Egs=-1.92127940413
Kept: 90 out of 90, ratio=1
Memory used: 4 MB  Time elapsed: 0 s

** Iteration completed.


Total energy:             -2.308458382238614
TKW=3.84102668135e-05
Grand canonical Z=              2.682794595455195
Zft (last shell)=               2.682790916219132
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=	0.25
>>  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
0.00643574735596 
(-1 2) 2 states
0.00305491744543 0.00920971227347 
(0 1) 3 states
0 0.00643574735596 0.0122646297189 
(0 3) 1 states
0.00582888236295 
(1 2) 2 states
0.00305491744543 0.00920971227347 
(2 1) 1 states
0.00643574735596 
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 2.3784131389940555) ***** 
[1] xi(0)=0.274074237604 zeta(1)=0
Stats: nr=10 min=1 max=8 sum3=1055
Emax=1.09921388246 nrkept=35 nrkeptmult=64 
Kept: 35 out of 35, ratio=1
Memory used: 6 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 2/20 (scale 0.6865887330211804) ***** 
[1] xi(1)=0.93648463703 zeta(2)=0
Stats: nr=15 min=1 max=20 sum3=30066
Emax=5.43876135116 nrkept=126 nrkeptmult=256 
Kept: 126 out of 126, ratio=1
Memory used: 6 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 3/20 (scale 0.1982010949161713) ***** 
[1] xi(2)=1.36993476474 zeta(3)=0
Stats: nr=21 min=1 max=75 sum3=1007202
Safeguard: keep additional 11 states
Emax=10.4061596393 nrkept=172 nrkeptmult=380 
Kept: 172 out of 462, ratio=0.372
Memory used: 6 MB  Time elapsed: 1 s

 ***** [DMNRG] Iteration 4/20 (scale 0.057215727751765033) ***** 
[1] xi(3)=1.05984577349 zeta(4)=0
Stats: nr=25 min=1 max=81 sum3=2125724
Safeguard: keep additional 1 states
Emax=10.4305260348 nrkept=88 nrkeptmult=180 
Kept: 88 out of 638, ratio=0.138
Memory used: 6 MB  Time elapsed: 1 s

 ***** [DMNRG] Iteration 5/20 (scale 0.016516757909680942) ***** 
[1] xi(4)=1.00343123077 zeta(5)=0
Stats: nr=21 min=1 max=51 sum3=323951
Safeguard: keep additional 1 states
Emax=12.0467262339 nrkept=37 nrkeptmult=70 
Kept: 37 out of 323, ratio=0.115
Memory used: 7 MB  Time elapsed: 1 s

 ***** [DMNRG] Iteration 6/20 (scale 0.0047679773126470858) ***** 
[1] xi(5)=1.00026244891 zeta(6)=0
Stats: nr=15 min=1 max=21 sum3=34502
Safeguard: keep additional 1 states
Emax=10.9001727609 nrkept=88 nrkeptmult=180 
Kept: 88 out of 134, ratio=0.657
Memory used: 7 MB  Time elapsed: 1 s

 ***** [DMNRG] Iteration 7/20 (scale 0.0013763964924734117) ***** 
[1] xi(6)=1.00002174851 zeta(7)=0
Stats: nr=21 min=1 max=51 sum3=323951
Safeguard: keep additional 1 states
Emax=12.4611814289 nrkept=37 nrkeptmult=70 
Kept: 37 out of 323, ratio=0.115
Memory used: 7 MB  Time elapsed: 1 s

 ***** [DMNRG] Iteration 8/20 (scale 0.0003973314427205905) ***** 
[1] xi(7)=1.00000181159 zeta(8)=0
Stats: nr=15 min=1 max=21 sum3=34502
Safeguard: keep additional 1 states
Emax=11.07892835 nrkept=46 nrkeptmult=100 
Kept: 46 out of 134, ratio=0.343
Memory used: 7 MB  Time elapsed: 1 s

 ***** [DMNRG] Iteration 9/20 (scale 0.00011469970770611765) ***** 
[1] xi(8)=1.00000015096 zeta(9)=0
Stats: nr=19 min=1 max=29 sum3=54903
Safeguard: keep additional 2 states
Emax=10.0445189618 nrkept=32 nrkeptmult=60 
Kept: 32 out of 171, ratio=0.187
Memory used: 7 MB  Time elapsed: 1 s

 ***** [DMNRG] Iteration 10/20 (scale 3.3110953560049206e-05) ***** 
[1] xi(9)=1.00000001258 zeta(10)=0
Stats: nr=15 min=1 max=18 sum3=21470
Emax=10.2773742909 nrkept=35 nrkeptmult=75 
Kept: 35 out of 116, ratio=0.302
Memory used: 7 MB  Time elapsed: 1 s

 ***** [DMNRG] Iteration 11/20 (scale 9.5583089755098034e-06) ***** 
[1] xi(10)=1.00000000105 zeta(11)=0
Stats: nr=18 min=1 max=23 sum3=26651
Emax=11.6788173142 nrkept=33 nrkeptmult=62 
Kept: 33 out of 131, ratio=0.252
Memory used: 7 MB  Time elapsed: 1 s

 ***** [DMNRG] Iteration 12/20 (scale 2.7592461300041009e-06) ***** 
[1] xi(11)=1.00000000009 zeta(12)=0
Stats: nr=15 min=1 max=19 sum3=25074
Safeguard: keep additional 1 states
Emax=10.2079469871 nrkept=19 nrkeptmult=37 
Kept: 19 out of 120, ratio=0.158
Memory used: 7 MB  Time elapsed: 1 s

 ***** [DMNRG] Iteration 13/20 (scale 7.9652574795915039e-07) ***** 
[1] xi(12)=1.00000000001 zeta(13)=0
Stats: nr=14 min=1 max=15 sum3=6322
Emax=10.0241285023 nrkept=25 nrkeptmult=46 
Kept: 25 out of 70, ratio=0.357
Memory used: 7 MB  Time elapsed: 1 s

 ***** [DMNRG] Iteration 14/20 (scale 2.2993717750034174e-07) ***** 
[1] xi(13)=1 zeta(14)=0
Stats: nr=15 min=1 max=14 sum3=10488
Safeguard: keep additional 1 states
Emax=11.6037694172 nrkept=12 nrkeptmult=20 
Kept: 12 out of 90, ratio=0.133
Memory used: 7 MB  Time elapsed: 1 s

 ***** [DMNRG] Iteration 15/20 (scale 6.6377145663262528e-08) ***** 
[1] xi(14)=1 zeta(15)=0
Stats: nr=10 min=1 max=10 sum3=1945
Emax=10.3543010642 nrkept=25 nrkeptmult=46 
Kept: 25 out of 43, ratio=0.581
Memory used: 7 MB  Time elapsed: 1 s

 ***** [DMNRG] Iteration 16/20 (scale 1.9161431458361808e-08) ***** 
[1] xi(15)=1 zeta(16)=0
Stats: nr=15 min=1 max=14 sum3=10488
Safeguard: keep additional 1 states
Emax=11.9662656191 nrkept=12 nrkeptmult=20 
Kept: 12 out of 90, ratio=0.133
Memory used: 7 MB  Time elapsed: 1 s

 ***** [DMNRG] Iteration 17/20 (scale 5.531428805271877e-09) ***** 
[1] xi(16)=1 zeta(17)=0
Stats: nr=10 min=1 max=10 sum3=1945
Emax=10.3863421185 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 1.5967859548634843e-09) ***** 
[1] xi(17)=1 zeta(18)=0
Stats: nr=15 min=1 max=14 sum3=10488
Safeguard: keep additional 1 states
Emax=11.9972275106 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 4.609524004393231e-10) ***** 
[1] xi(18)=1 zeta(19)=0
Stats: nr=10 min=1 max=10 sum3=1945
Emax=10.3890468215 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 1.3306549623862369e-10) ***** 
[1] xi(19)=1 zeta(20)=0
Stats: nr=15 min=1 max=14 sum3=10488
Safeguard: keep additional 1 states
Emax=11.9998116362 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=0.499999999999 neg=0.499999999999 sum= 0.999999999999
mu1=-2.60208521397e-16 mu2=0.000666219782993 mu3=-5.39390580812e-18 mu4=0.000271469477844


Memory usage report
===================
  after diag: 7724 kB
after recalc: 7776 kB
 after split: 7724 kB
  after trim: 7776 kB
 after trunc: 7724 kB
      diag_h: 5012 kB

Peak usage: 7776 kB

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