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=19
TEMPERATURE T=1e-10
Nmax=19
Tmin=1e-10
Ninit=0
Lambda=12
strategy=kept
lastall=1
lastalloverride=0
z=0.75
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=	0.75
>>  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=0.75
# keep=10000 keepenergy=10 Nmax=19 channels=1 dots=1 betabar=1

Number of invariant subspaces: 6
(-2 1) 1 states
0.0222940828104 
(-1 2) 2 states
0.0105825444568 0.0319033791615 
(0 1) 3 states
0 0.0222940828104 0.0424859236183 
(0 3) 1 states
0.0201918408079 
(1 2) 2 states
0.0105825444568 0.0319033791615 
(2 1) 1 states
0.0222940828104 
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 1/19 (scale 0.6865887330211804) ***** 
[1] xi(0)=0.790515699123 zeta(1)=0
Stats: nr=10 min=1 max=8 sum3=1055
Emax=3.17272893948 nrkept=35 nrkeptmult=64 
Total energy=-1.08667997139  Egs=-1.51277669143
Kept: 35 out of 35, ratio=1
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 2/19 (scale 0.1982010949161713) ***** 
[1] xi(1)=1.16133684929 zeta(2)=0
Stats: nr=15 min=1 max=20 sum3=30066
Emax=11.9072578337 nrkept=117 nrkeptmult=241 
Total energy=-1.19735975565  Egs=-0.558421659109
Kept: 117 out of 126, ratio=0.929
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 3/19 (scale 0.057215727751765033) ***** 
[1] xi(2)=1.04026697424 zeta(3)=0
Stats: nr=21 min=1 max=68 sum3=768322
Safeguard: keep additional 1 states
Emax=10.3199620587 nrkept=37 nrkeptmult=70 
Total energy=-1.29207573182  Egs=-1.65541853419
Kept: 37 out of 430, ratio=0.086
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 4/19 (scale 0.016516757909680942) ***** 
[1] xi(3)=1.00271083043 zeta(4)=0
Stats: nr=15 min=1 max=21 sum3=34502
Safeguard: keep additional 1 states
Emax=10.5331235463 nrkept=88 nrkeptmult=180 
Total energy=-1.3005115458  Egs=-0.510742727212
Kept: 88 out of 134, ratio=0.657
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 5/19 (scale 0.0047679773126470858) ***** 
[1] xi(4)=1.00020201606 zeta(5)=0
Stats: nr=21 min=1 max=51 sum3=323951
Safeguard: keep additional 1 states
Emax=12.1537030618 nrkept=37 nrkeptmult=70 
Total energy=-1.30683469659  Egs=-1.32617048604
Kept: 37 out of 323, ratio=0.115
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 6/19 (scale 0.0013763964924734117) ***** 
[1] xi(5)=1.00001664246 zeta(6)=0
Stats: nr=15 min=1 max=21 sum3=34502
Emax=10.0275621784 nrkept=66 nrkeptmult=136 
Total energy=-1.30773401293  Egs=-0.653384654511
Kept: 66 out of 134, ratio=0.493
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 7/19 (scale 0.0003973314427205905) ***** 
[1] xi(6)=1.00000138562 zeta(7)=0
Stats: nr=19 min=1 max=41 sum3=157911
Emax=10.0271745185 nrkept=33 nrkeptmult=62 
Total energy=-1.3081220898  Egs=-0.976708178603
Kept: 33 out of 243, ratio=0.136
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 8/19 (scale 0.00011469970770611765) ***** 
[1] xi(7)=1.00000011546 zeta(8)=0
Stats: nr=15 min=1 max=19 sum3=25074
Safeguard: keep additional 1 states
Emax=10.0536829431 nrkept=41 nrkeptmult=93 
Total energy=-1.30823136075  Egs=-0.952669831492
Kept: 41 out of 120, ratio=0.342
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 9/19 (scale 3.3110953560049206e-05) ***** 
[1] xi(8)=1.00000000962 zeta(9)=0
Stats: nr=19 min=1 max=26 sum3=39232
Emax=11.0780132804 nrkept=33 nrkeptmult=62 
Total energy=-1.30824973901  Egs=-0.555050639527
Kept: 33 out of 154, ratio=0.214
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 10/19 (scale 9.5583089755098034e-06) ***** 
[1] xi(9)=1.0000000008 zeta(10)=0
Stats: nr=15 min=1 max=19 sum3=25074
Safeguard: keep additional 1 states
Emax=10.0507968741 nrkept=31 nrkeptmult=63 
Total energy=-1.30826467835  Egs=-1.56296934969
Kept: 31 out of 120, ratio=0.258
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 11/19 (scale 2.7592461300041009e-06) ***** 
[1] xi(10)=1.00000000007 zeta(11)=0
Stats: nr=18 min=1 max=21 sum3=19417
Emax=12.7008874634 nrkept=33 nrkeptmult=62 
Total energy=-1.30826559925  Egs=-0.333747703757
Kept: 33 out of 115, ratio=0.287
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 12/19 (scale 7.9652574795915039e-07) ***** 
[1] xi(11)=1.00000000001 zeta(12)=0
Stats: nr=15 min=1 max=19 sum3=25074
Safeguard: keep additional 1 states
Emax=10.7255987152 nrkept=12 nrkeptmult=20 
Total energy=-1.30826709442  Egs=-1.87711497547
Kept: 12 out of 120, ratio=0.1
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 13/19 (scale 2.2993717750034174e-07) ***** 
[1] xi(12)=1 zeta(13)=0
Stats: nr=10 min=1 max=10 sum3=1945
Emax=10.2712886895 nrkept=25 nrkeptmult=46 
Total energy=-1.30826716305  Egs=-0.29846964782
Kept: 25 out of 43, ratio=0.581
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 14/19 (scale 6.6377145663262528e-08) ***** 
[1] xi(13)=1 zeta(14)=0
Stats: nr=15 min=1 max=14 sum3=10488
Safeguard: keep additional 1 states
Emax=11.8829253064 nrkept=12 nrkeptmult=20 
Total energy=-1.30826729032  Egs=-1.91744974045
Kept: 12 out of 90, ratio=0.133
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 15/19 (scale 1.9161431458361808e-08) ***** 
[1] xi(14)=1 zeta(15)=0
Stats: nr=10 min=1 max=10 sum3=1945
Emax=10.3790415354 nrkept=25 nrkeptmult=46 
Total energy=-1.30826729598  Egs=-0.295181673696
Kept: 25 out of 43, ratio=0.581
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 16/19 (scale 5.531428805271877e-09) ***** 
[1] xi(15)=1 zeta(16)=0
Stats: nr=15 min=1 max=14 sum3=10488
Safeguard: keep additional 1 states
Emax=11.9902308604 nrkept=12 nrkeptmult=20 
Total energy=-1.3082673066  Egs=-1.92096621442
Kept: 12 out of 90, ratio=0.133
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 17/19 (scale 1.5967859548634843e-09) ***** 
[1] xi(16)=1 zeta(17)=0
Stats: nr=10 min=1 max=10 sum3=1945
Emax=10.3884358131 nrkept=25 nrkeptmult=46 
Total energy=-1.30826730707  Egs=-0.294904616942
Kept: 25 out of 43, ratio=0.581
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 18/19 (scale 4.609524004393231e-10) ***** 
[1] xi(17)=1 zeta(18)=0
Stats: nr=15 min=1 max=14 sum3=10488
Safeguard: keep additional 1 states
Emax=11.9992283686 nrkept=12 nrkeptmult=20 
Total energy=-1.30826730796  Egs=-1.9212603367
Kept: 12 out of 90, ratio=0.133
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 19/19 (scale 1.3306549623862369e-10) ***** 
[1] xi(18)=1 zeta(19)=0
Stats: nr=10 min=1 max=10 sum3=1945
Safeguard: keep additional 7 states
Emax=10.3892469445 nrkept=43 nrkeptmult=80 
Total energy=-1.308267308  Egs=-0.294881511771
Kept: 43 out of 43, ratio=1
Memory used: 4 MB  Time elapsed: 0 s

** Iteration completed.


Total energy:             -1.308267307998332
TKW=8.82262595182e-06
Grand canonical Z=              4.161917303109668
Zft (last shell)=               4.161919690278909
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=	0.75
>>  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
0.0222940828104 
(-1 2) 2 states
0.0105825444568 0.0319033791615 
(0 1) 3 states
0 0.0222940828104 0.0424859236183 
(0 3) 1 states
0.0201918408079 
(1 2) 2 states
0.0105825444568 0.0319033791615 
(2 1) 1 states
0.0222940828104 
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 1/19 (scale 0.6865887330211804) ***** 
[1] xi(0)=0.790515699123 zeta(1)=0
Stats: nr=10 min=1 max=8 sum3=1055
Emax=3.17272893948 nrkept=35 nrkeptmult=64 
Kept: 35 out of 35, ratio=1
Memory used: 5 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 2/19 (scale 0.1982010949161713) ***** 
[1] xi(1)=1.16133684929 zeta(2)=0
Stats: nr=15 min=1 max=20 sum3=30066
Emax=11.9072578337 nrkept=117 nrkeptmult=241 
Kept: 117 out of 126, ratio=0.929
Memory used: 5 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 3/19 (scale 0.057215727751765033) ***** 
[1] xi(2)=1.04026697424 zeta(3)=0
Stats: nr=21 min=1 max=68 sum3=768322
Safeguard: keep additional 1 states
Emax=10.3199620587 nrkept=37 nrkeptmult=70 
Kept: 37 out of 430, ratio=0.086
Memory used: 5 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 4/19 (scale 0.016516757909680942) ***** 
[1] xi(3)=1.00271083043 zeta(4)=0
Stats: nr=15 min=1 max=21 sum3=34502
Safeguard: keep additional 1 states
Emax=10.5331235463 nrkept=88 nrkeptmult=180 
Kept: 88 out of 134, ratio=0.657
Memory used: 5 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 5/19 (scale 0.0047679773126470858) ***** 
[1] xi(4)=1.00020201606 zeta(5)=0
Stats: nr=21 min=1 max=51 sum3=323951
Safeguard: keep additional 1 states
Emax=12.1537030618 nrkept=37 nrkeptmult=70 
Kept: 37 out of 323, ratio=0.115
Memory used: 6 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 6/19 (scale 0.0013763964924734117) ***** 
[1] xi(5)=1.00001664246 zeta(6)=0
Stats: nr=15 min=1 max=21 sum3=34502
Emax=10.0275621784 nrkept=66 nrkeptmult=136 
Kept: 66 out of 134, ratio=0.493
Memory used: 6 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 7/19 (scale 0.0003973314427205905) ***** 
[1] xi(6)=1.00000138562 zeta(7)=0
Stats: nr=19 min=1 max=41 sum3=157911
Emax=10.0271745185 nrkept=33 nrkeptmult=62 
Kept: 33 out of 243, ratio=0.136
Memory used: 6 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 8/19 (scale 0.00011469970770611765) ***** 
[1] xi(7)=1.00000011546 zeta(8)=0
Stats: nr=15 min=1 max=19 sum3=25074
Safeguard: keep additional 1 states
Emax=10.0536829431 nrkept=41 nrkeptmult=93 
Kept: 41 out of 120, ratio=0.342
Memory used: 6 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 9/19 (scale 3.3110953560049206e-05) ***** 
[1] xi(8)=1.00000000962 zeta(9)=0
Stats: nr=19 min=1 max=26 sum3=39232
Emax=11.0780132804 nrkept=33 nrkeptmult=62 
Kept: 33 out of 154, ratio=0.214
Memory used: 6 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 10/19 (scale 9.5583089755098034e-06) ***** 
[1] xi(9)=1.0000000008 zeta(10)=0
Stats: nr=15 min=1 max=19 sum3=25074
Safeguard: keep additional 1 states
Emax=10.0507968741 nrkept=31 nrkeptmult=63 
Kept: 31 out of 120, ratio=0.258
Memory used: 6 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 11/19 (scale 2.7592461300041009e-06) ***** 
[1] xi(10)=1.00000000007 zeta(11)=0
Stats: nr=18 min=1 max=21 sum3=19417
Emax=12.7008874634 nrkept=33 nrkeptmult=62 
Kept: 33 out of 115, ratio=0.287
Memory used: 6 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 12/19 (scale 7.9652574795915039e-07) ***** 
[1] xi(11)=1.00000000001 zeta(12)=0
Stats: nr=15 min=1 max=19 sum3=25074
Safeguard: keep additional 1 states
Emax=10.7255987152 nrkept=12 nrkeptmult=20 
Kept: 12 out of 120, ratio=0.1
Memory used: 6 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 13/19 (scale 2.2993717750034174e-07) ***** 
[1] xi(12)=1 zeta(13)=0
Stats: nr=10 min=1 max=10 sum3=1945
Emax=10.2712886895 nrkept=25 nrkeptmult=46 
Kept: 25 out of 43, ratio=0.581
Memory used: 6 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 14/19 (scale 6.6377145663262528e-08) ***** 
[1] xi(13)=1 zeta(14)=0
Stats: nr=15 min=1 max=14 sum3=10488
Safeguard: keep additional 1 states
Emax=11.8829253064 nrkept=12 nrkeptmult=20 
Kept: 12 out of 90, ratio=0.133
Memory used: 6 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 15/19 (scale 1.9161431458361808e-08) ***** 
[1] xi(14)=1 zeta(15)=0
Stats: nr=10 min=1 max=10 sum3=1945
Emax=10.3790415354 nrkept=25 nrkeptmult=46 
Kept: 25 out of 43, ratio=0.581
Memory used: 6 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 16/19 (scale 5.531428805271877e-09) ***** 
[1] xi(15)=1 zeta(16)=0
Stats: nr=15 min=1 max=14 sum3=10488
Safeguard: keep additional 1 states
Emax=11.9902308604 nrkept=12 nrkeptmult=20 
Kept: 12 out of 90, ratio=0.133
Memory used: 6 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 17/19 (scale 1.5967859548634843e-09) ***** 
[1] xi(16)=1 zeta(17)=0
Stats: nr=10 min=1 max=10 sum3=1945
Emax=10.3884358131 nrkept=25 nrkeptmult=46 
Kept: 25 out of 43, ratio=0.581
Memory used: 6 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 18/19 (scale 4.609524004393231e-10) ***** 
[1] xi(17)=1 zeta(18)=0
Stats: nr=15 min=1 max=14 sum3=10488
Safeguard: keep additional 1 states
Emax=11.9992283686 nrkept=12 nrkeptmult=20 
Kept: 12 out of 90, ratio=0.133
Memory used: 6 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 19/19 (scale 1.3306549623862369e-10) ***** 
[1] xi(18)=1 zeta(19)=0
Stats: nr=10 min=1 max=10 sum3=1945
Safeguard: keep additional 7 states
Emax=10.3892469445 nrkept=43 nrkeptmult=80 
Kept: 43 out of 43, ratio=1
Memory used: 6 MB  Time elapsed: 0 s

** Iteration completed.

Spectrum: A_d-A_d FDM
[A_d-A_d] pos=0.500000031651 neg=0.499999968358 sum= 1.00000000001
mu1=-1.39645239816e-16 mu2=0.000673600338747 mu3=1.46367293286e-18 mu4=0.000194185909522


Memory usage report
===================
  after diag: 6368 kB
after recalc: 6412 kB
 after split: 6368 kB
  after trim: 6412 kB
 after trunc: 6368 kB
      diag_h: 4692 kB

Peak usage: 6412 kB

Timing report
=============
         All: 0 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
