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=18
TEMPERATURE T=1e-10
Nmax=18
Tmin=1e-10
Ninit=0
Lambda=16
strategy=kept
lastall=1
lastalloverride=0
z=0.125
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=	16.	 BAND=	flat
>>  DISCRETIZATION=	Z	 z=	0.125
>>  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=16 z=0.125
# keep=10000 keepenergy=10 Nmax=18 channels=1 dots=1 betabar=1

Number of invariant subspaces: 6
(-2 1) 1 states
0.0034651824418 
(-1 2) 2 states
0.00164485112724 0.00495876104188 
(0 1) 3 states
0 0.0034651824418 0.00660361216912 
(0 3) 1 states
0.00313842972731 
(1 2) 2 states
0.00164485112724 0.00495876104188 
(2 1) 1 states
0.0034651824418 
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 1/18 (scale 3.8255229247379607) ***** 
[1] xi(0)=0.147771364803 zeta(1)=0
Stats: nr=10 min=1 max=8 sum3=1055
Emax=0.592975790397 nrkept=35 nrkeptmult=64 
Total energy=-1.13172123999  Egs=-0.28328067086
Kept: 35 out of 35, ratio=1
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 2/18 (scale 0.95638073118449018) ***** 
[1] xi(1)=0.76465217231 zeta(2)=0
Stats: nr=15 min=1 max=20 sum3=30066
Emax=3.9500843479 nrkept=126 nrkeptmult=256 
Total energy=-1.88639227844  Egs=-0.789090593156
Kept: 126 out of 126, ratio=1
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 3/18 (scale 0.23909518279612255) ***** 
[1] xi(2)=1.67261826617 zeta(3)=0
Stats: nr=21 min=1 max=75 sum3=1007202
Safeguard: keep additional 5 states
Emax=10.1383600843 nrkept=206 nrkeptmult=464 
Total energy=-2.42403047147  Egs=-2.24863665901
Kept: 206 out of 462, ratio=0.446
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 4/18 (scale 0.059773795699030637) ***** 
[1] xi(3)=1.12307529202 zeta(4)=0
Stats: nr=26 min=1 max=95 sum3=3449832
Safeguard: keep additional 1 states
Emax=12.0426261899 nrkept=88 nrkeptmult=180 
Total energy=-2.4496683679  Egs=-0.42891531534
Kept: 88 out of 768, ratio=0.115
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 5/18 (scale 0.014943448924757659) ***** 
[1] xi(4)=1.00405547291 zeta(5)=0
Stats: nr=21 min=1 max=51 sum3=323951
Safeguard: keep additional 1 states
Emax=16.0578625749 nrkept=37 nrkeptmult=70 
Total energy=-2.47175619589  Egs=-1.47809438776
Kept: 37 out of 323, ratio=0.115
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 6/18 (scale 0.0037358622311894148) ***** 
[1] xi(5)=1.00021744185 zeta(6)=0
Stats: nr=15 min=1 max=21 sum3=34502
Safeguard: keep additional 3 states
Emax=10.0802149437 nrkept=82 nrkeptmult=170 
Total energy=-2.4737897159  Egs=-0.544324143624
Kept: 82 out of 134, ratio=0.612
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 7/18 (scale 0.0009339655577973537) ***** 
[1] xi(6)=1.00001350768 zeta(7)=0
Stats: nr=21 min=1 max=47 sum3=255062
Safeguard: keep additional 1 states
Emax=16.7467869701 nrkept=37 nrkeptmult=70 
Total energy=-2.47479256909  Egs=-1.07375821617
Kept: 37 out of 302, ratio=0.123
Memory used: 5 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 8/18 (scale 0.00023349138944933842) ***** 
[1] xi(7)=1.00000084395 zeta(8)=0
Stats: nr=15 min=1 max=21 sum3=34502
Safeguard: keep additional 1 states
Emax=10.0915890742 nrkept=37 nrkeptmult=83 
Total energy=-2.47497434156  Egs=-0.778497516315
Kept: 37 out of 134, ratio=0.276
Memory used: 5 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 9/18 (scale 5.8372847362334606e-05) ***** 
[1] xi(8)=1.00000005275 zeta(9)=0
Stats: nr=18 min=1 max=23 sum3=28669
Safeguard: keep additional 3 states
Emax=10.5907251153 nrkept=24 nrkeptmult=44 
Total energy=-2.47501003528  Egs=-0.611478194395
Kept: 24 out of 139, ratio=0.173
Memory used: 5 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 10/18 (scale 1.4593211840583652e-05) ***** 
[1] xi(9)=1.0000000033 zeta(10)=0
Stats: nr=15 min=1 max=13 sum3=8516
Safeguard: keep additional 2 states
Emax=10.4972366939 nrkept=25 nrkeptmult=51 
Total energy=-2.4750307493  Egs=-1.41942853061
Kept: 25 out of 86, ratio=0.291
Memory used: 5 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 11/18 (scale 3.6483029601459129e-06) ***** 
[1] xi(10)=1.00000000021 zeta(11)=0
Stats: nr=16 min=1 max=17 sum3=10513
Emax=10.7565154745 nrkept=25 nrkeptmult=46 
Total energy=-2.47503186867  Egs=-0.306819068327
Kept: 25 out of 91, ratio=0.275
Memory used: 5 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 12/18 (scale 9.1207574003647822e-07) ***** 
[1] xi(11)=1.00000000001 zeta(12)=0
Stats: nr=15 min=1 max=14 sum3=10488
Safeguard: keep additional 1 states
Emax=13.2938153798 nrkept=12 nrkeptmult=20 
Total energy=-2.47503358406  Egs=-1.88075183089
Kept: 12 out of 90, ratio=0.133
Memory used: 5 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 13/18 (scale 2.2801893500911955e-07) ***** 
[1] xi(12)=1 zeta(13)=0
Stats: nr=10 min=1 max=10 sum3=1945
Emax=11.8311260876 nrkept=25 nrkeptmult=46 
Total energy=-2.47503364286  Egs=-0.25785334061
Kept: 25 out of 43, ratio=0.581
Memory used: 5 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 14/18 (scale 5.7004733752279889e-08) ***** 
[1] xi(13)=1 zeta(14)=0
Stats: nr=15 min=1 max=14 sum3=10488
Safeguard: keep additional 1 states
Emax=15.7982836971 nrkept=12 nrkeptmult=20 
Total energy=-2.47503375323  Egs=-1.93624861755
Kept: 12 out of 90, ratio=0.133
Memory used: 5 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 15/18 (scale 1.4251183438069972e-08) ***** 
[1] xi(14)=1 zeta(15)=0
Stats: nr=10 min=1 max=10 sum3=1945
Emax=11.9873865914 nrkept=25 nrkeptmult=46 
Total energy=-2.47503375685  Egs=-0.254249084387
Kept: 25 out of 43, ratio=0.581
Memory used: 5 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 16/18 (scale 3.562795859517493e-09) ***** 
[1] xi(15)=1 zeta(16)=0
Stats: nr=15 min=1 max=14 sum3=10488
Safeguard: keep additional 1 states
Emax=15.9873126343 nrkept=12 nrkeptmult=20 
Total energy=-2.47503376377  Egs=-1.93992905745
Kept: 12 out of 90, ratio=0.133
Memory used: 5 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 17/18 (scale 8.9069896487937326e-10) ***** 
[1] xi(16)=1 zeta(17)=0
Stats: nr=10 min=1 max=10 sum3=1945
Emax=11.997834205 nrkept=25 nrkeptmult=46 
Total energy=-2.47503376399  Egs=-0.254020764763
Kept: 25 out of 43, ratio=0.581
Memory used: 5 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 18/18 (scale 2.2267474121984332e-10) ***** 
[1] xi(17)=1 zeta(18)=0
Stats: nr=15 min=1 max=14 sum3=10488
Safeguard: keep additional 1 states
Emax=15.99922066 nrkept=90 nrkeptmult=184 
Total energy=-2.47503376442  Egs=-1.94015996296
Kept: 90 out of 90, ratio=1
Memory used: 5 MB  Time elapsed: 0 s

** Iteration completed.


Total energy:             -2.475033764423782
TKW=4.12733302527e-05
Grand canonical Z=              1.550127602595452
Zft (last shell)=               1.550128137036406
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=	16.	 BAND=	flat
>>  DISCRETIZATION=	Z	 z=	0.125
>>  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
0.0034651824418 
(-1 2) 2 states
0.00164485112724 0.00495876104188 
(0 1) 3 states
0 0.0034651824418 0.00660361216912 
(0 3) 1 states
0.00313842972731 
(1 2) 2 states
0.00164485112724 0.00495876104188 
(2 1) 1 states
0.0034651824418 
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 1/18 (scale 3.8255229247379607) ***** 
[1] xi(0)=0.147771364803 zeta(1)=0
Stats: nr=10 min=1 max=8 sum3=1055
Emax=0.592975790397 nrkept=35 nrkeptmult=64 
Kept: 35 out of 35, ratio=1
Memory used: 6 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 2/18 (scale 0.95638073118449018) ***** 
[1] xi(1)=0.76465217231 zeta(2)=0
Stats: nr=15 min=1 max=20 sum3=30066
Emax=3.9500843479 nrkept=126 nrkeptmult=256 
Kept: 126 out of 126, ratio=1
Memory used: 6 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 3/18 (scale 0.23909518279612255) ***** 
[1] xi(2)=1.67261826617 zeta(3)=0
Stats: nr=21 min=1 max=75 sum3=1007202
Safeguard: keep additional 5 states
Emax=10.1383600843 nrkept=206 nrkeptmult=464 
Kept: 206 out of 462, ratio=0.446
Memory used: 6 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 4/18 (scale 0.059773795699030637) ***** 
[1] xi(3)=1.12307529202 zeta(4)=0
Stats: nr=26 min=1 max=95 sum3=3449832
Safeguard: keep additional 1 states
Emax=12.0426261899 nrkept=88 nrkeptmult=180 
Kept: 88 out of 768, ratio=0.115
Memory used: 7 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 5/18 (scale 0.014943448924757659) ***** 
[1] xi(4)=1.00405547291 zeta(5)=0
Stats: nr=21 min=1 max=51 sum3=323951
Safeguard: keep additional 1 states
Emax=16.0578625749 nrkept=37 nrkeptmult=70 
Kept: 37 out of 323, ratio=0.115
Memory used: 7 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 6/18 (scale 0.0037358622311894148) ***** 
[1] xi(5)=1.00021744185 zeta(6)=0
Stats: nr=15 min=1 max=21 sum3=34502
Safeguard: keep additional 3 states
Emax=10.0802149437 nrkept=82 nrkeptmult=170 
Kept: 82 out of 134, ratio=0.612
Memory used: 7 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 7/18 (scale 0.0009339655577973537) ***** 
[1] xi(6)=1.00001350768 zeta(7)=0
Stats: nr=21 min=1 max=47 sum3=255062
Safeguard: keep additional 1 states
Emax=16.7467869701 nrkept=37 nrkeptmult=70 
Kept: 37 out of 302, ratio=0.123
Memory used: 7 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 8/18 (scale 0.00023349138944933842) ***** 
[1] xi(7)=1.00000084395 zeta(8)=0
Stats: nr=15 min=1 max=21 sum3=34502
Safeguard: keep additional 1 states
Emax=10.0915890742 nrkept=37 nrkeptmult=83 
Kept: 37 out of 134, ratio=0.276
Memory used: 7 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 9/18 (scale 5.8372847362334606e-05) ***** 
[1] xi(8)=1.00000005275 zeta(9)=0
Stats: nr=18 min=1 max=23 sum3=28669
Safeguard: keep additional 3 states
Emax=10.5907251153 nrkept=24 nrkeptmult=44 
Kept: 24 out of 139, ratio=0.173
Memory used: 7 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 10/18 (scale 1.4593211840583652e-05) ***** 
[1] xi(9)=1.0000000033 zeta(10)=0
Stats: nr=15 min=1 max=13 sum3=8516
Safeguard: keep additional 2 states
Emax=10.4972366939 nrkept=25 nrkeptmult=51 
Kept: 25 out of 86, ratio=0.291
Memory used: 7 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 11/18 (scale 3.6483029601459129e-06) ***** 
[1] xi(10)=1.00000000021 zeta(11)=0
Stats: nr=16 min=1 max=17 sum3=10513
Emax=10.7565154745 nrkept=25 nrkeptmult=46 
Kept: 25 out of 91, ratio=0.275
Memory used: 7 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 12/18 (scale 9.1207574003647822e-07) ***** 
[1] xi(11)=1.00000000001 zeta(12)=0
Stats: nr=15 min=1 max=14 sum3=10488
Safeguard: keep additional 1 states
Emax=13.2938153798 nrkept=12 nrkeptmult=20 
Kept: 12 out of 90, ratio=0.133
Memory used: 7 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 13/18 (scale 2.2801893500911955e-07) ***** 
[1] xi(12)=1 zeta(13)=0
Stats: nr=10 min=1 max=10 sum3=1945
Emax=11.8311260876 nrkept=25 nrkeptmult=46 
Kept: 25 out of 43, ratio=0.581
Memory used: 7 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 14/18 (scale 5.7004733752279889e-08) ***** 
[1] xi(13)=1 zeta(14)=0
Stats: nr=15 min=1 max=14 sum3=10488
Safeguard: keep additional 1 states
Emax=15.7982836971 nrkept=12 nrkeptmult=20 
Kept: 12 out of 90, ratio=0.133
Memory used: 7 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 15/18 (scale 1.4251183438069972e-08) ***** 
[1] xi(14)=1 zeta(15)=0
Stats: nr=10 min=1 max=10 sum3=1945
Emax=11.9873865914 nrkept=25 nrkeptmult=46 
Kept: 25 out of 43, ratio=0.581
Memory used: 7 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 16/18 (scale 3.562795859517493e-09) ***** 
[1] xi(15)=1 zeta(16)=0
Stats: nr=15 min=1 max=14 sum3=10488
Safeguard: keep additional 1 states
Emax=15.9873126343 nrkept=12 nrkeptmult=20 
Kept: 12 out of 90, ratio=0.133
Memory used: 8 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 17/18 (scale 8.9069896487937326e-10) ***** 
[1] xi(16)=1 zeta(17)=0
Stats: nr=10 min=1 max=10 sum3=1945
Emax=11.997834205 nrkept=25 nrkeptmult=46 
Kept: 25 out of 43, ratio=0.581
Memory used: 8 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 18/18 (scale 2.2267474121984332e-10) ***** 
[1] xi(17)=1 zeta(18)=0
Stats: nr=15 min=1 max=14 sum3=10488
Safeguard: keep additional 1 states
Emax=15.99922066 nrkept=90 nrkeptmult=184 
Kept: 90 out of 90, ratio=1
Memory used: 8 MB  Time elapsed: 0 s

** Iteration completed.

Spectrum: A_d-A_d FDM
[A_d-A_d] pos=0.5 neg=0.5 sum= 1
mu1=2.45463371851e-16 mu2=0.000665365171102 mu3=2.98155597434e-18 mu4=0.000204425760038


Memory usage report
===================
  after diag: 8248 kB
after recalc: 8300 kB
 after split: 8248 kB
  after trim: 8300 kB
 after trunc: 8248 kB
      diag_h: 5184 kB

Peak usage: 8300 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
