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=0.8125
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=	0.8125
>>  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=0.8125
# keep=10000 keepenergy=10 Nmax=19 channels=1 dots=1 betabar=1

Number of invariant subspaces: 6
(-2 1) 1 states
0.0260398475806 
(-1 2) 2 states
0.0123605822681 0.0372636603953 
(0 1) 3 states
0 0.0260398475806 0.0496242426634 
(0 3) 1 states
0.0235843950828 
(1 2) 2 states
0.0123605822681 0.0372636603953 
(2 1) 1 states
0.0260398475806 
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 0.58782471837826022) ***** 
[1] xi(0)=0.850414867915 zeta(1)=0
Stats: nr=10 min=1 max=8 sum3=1055
Emax=3.4144528532 nrkept=35 nrkeptmult=64 
Total energy=-1.00104989343  Egs=-1.62127471702
Kept: 35 out of 35, ratio=1
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 2/19 (scale 0.16969037969600226) ***** 
[1] xi(1)=1.14261889596 zeta(2)=0
Stats: nr=15 min=1 max=20 sum3=30066
Emax=12.6511775056 nrkept=117 nrkeptmult=241 
Total energy=-1.0892914496  Egs=-0.520015078811
Kept: 117 out of 126, ratio=0.929
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 3/19 (scale 0.04898539319818835) ***** 
[1] xi(2)=1.02710234835 zeta(3)=0
Stats: nr=21 min=1 max=68 sum3=768322
Safeguard: keep additional 1 states
Emax=10.9624642943 nrkept=37 nrkeptmult=70 
Total energy=-1.16938107743  Egs=-1.63496958182
Kept: 37 out of 430, ratio=0.086
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 4/19 (scale 0.014140864974666855) ***** 
[1] xi(3)=1.00152410813 zeta(4)=0
Stats: nr=15 min=1 max=21 sum3=34502
Safeguard: keep additional 1 states
Emax=10.5574296209 nrkept=88 nrkeptmult=180 
Total energy=-1.17672596984  Egs=-0.519408991467
Kept: 88 out of 134, ratio=0.657
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 5/19 (scale 0.0040821160998490294) ***** 
[1] xi(4)=1.00011243524 zeta(5)=0
Stats: nr=21 min=1 max=51 sum3=323951
Safeguard: keep additional 1 states
Emax=12.1774549418 nrkept=37 nrkeptmult=70 
Total energy=-1.18205227306  Egs=-1.30478974304
Kept: 37 out of 323, ratio=0.115
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 6/19 (scale 0.0011784054145555711) ***** 
[1] xi(5)=1.00000927614 zeta(6)=0
Stats: nr=15 min=1 max=21 sum3=34502
Safeguard: keep additional 1 states
Emax=10.0179332676 nrkept=64 nrkeptmult=132 
Total energy=-1.18283519287  Egs=-0.664389177663
Kept: 64 out of 134, ratio=0.478
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 7/19 (scale 0.00034017634165408575) ***** 
[1] xi(6)=1.00000077241 zeta(7)=0
Stats: nr=19 min=1 max=39 sum3=140312
Emax=10.2540013123 nrkept=33 nrkeptmult=62 
Total energy=-1.18315898354  Egs=-0.95183184594
Kept: 33 out of 236, ratio=0.14
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 8/19 (scale 9.8200451212964265e-05) ***** 
[1] xi(7)=1.00000006436 zeta(8)=0
Stats: nr=15 min=1 max=19 sum3=25074
Safeguard: keep additional 1 states
Emax=10.1108873005 nrkept=41 nrkeptmult=93 
Total energy=-1.18325555598  Egs=-0.983421536981
Kept: 41 out of 120, ratio=0.342
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 9/19 (scale 2.8348028471173817e-05) ***** 
[1] xi(8)=1.00000000536 zeta(9)=0
Stats: nr=19 min=1 max=26 sum3=39232
Emax=11.1187180758 nrkept=33 nrkeptmult=62 
Total energy=-1.18327063312  Egs=-0.531858461718
Kept: 33 out of 154, ratio=0.214
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 10/19 (scale 8.1833709344136893e-06) ***** 
[1] xi(9)=1.00000000045 zeta(10)=0
Stats: nr=15 min=1 max=19 sum3=25074
Safeguard: keep additional 3 states
Emax=10.1270497012 nrkept=29 nrkeptmult=59 
Total energy=-1.18328371506  Egs=-1.59860075785
Kept: 29 out of 120, ratio=0.242
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 11/19 (scale 2.3623357059311514e-06) ***** 
[1] xi(10)=1.00000000004 zeta(11)=0
Stats: nr=18 min=1 max=19 sum3=14741
Emax=12.820767617 nrkept=33 nrkeptmult=62 
Total energy=-1.18328449133  Egs=-0.328603670033
Kept: 33 out of 107, ratio=0.308
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 12/19 (scale 6.8194757786780748e-07) ***** 
[1] xi(11)=1 zeta(12)=0
Stats: nr=15 min=1 max=19 sum3=25074
Safeguard: keep additional 1 states
Emax=10.8907637899 nrkept=12 nrkeptmult=20 
Total energy=-1.18328577562  Egs=-1.88325959324
Kept: 12 out of 120, ratio=0.1
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 13/19 (scale 1.9686130882759593e-07) ***** 
[1] xi(12)=1 zeta(13)=0
Stats: nr=10 min=1 max=10 sum3=1945
Emax=10.2877060558 nrkept=25 nrkeptmult=46 
Total energy=-1.18328583427  Egs=-0.297955023365
Kept: 25 out of 43, ratio=0.581
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 14/19 (scale 5.6828964822317287e-08) ***** 
[1] xi(13)=1 zeta(14)=0
Stats: nr=15 min=1 max=14 sum3=10488
Safeguard: keep additional 1 states
Emax=11.899783253 nrkept=12 nrkeptmult=20 
Total energy=-1.18328594327  Egs=-1.91800294968
Kept: 12 out of 90, ratio=0.133
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 15/19 (scale 1.6405109068966328e-08) ***** 
[1] xi(14)=1 zeta(15)=0
Stats: nr=10 min=1 max=10 sum3=1945
Emax=10.3805203885 nrkept=25 nrkeptmult=46 
Total energy=-1.18328594811  Egs=-0.295137963353
Kept: 25 out of 43, ratio=0.581
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 16/19 (scale 4.7357470685264401e-09) ***** 
[1] xi(15)=1 zeta(16)=0
Stats: nr=15 min=1 max=14 sum3=10488
Safeguard: keep additional 1 states
Emax=11.9916512233 nrkept=12 nrkeptmult=20 
Total energy=-1.18328595721  Egs=-1.92101261346
Kept: 12 out of 90, ratio=0.133
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 17/19 (scale 1.3670924224138606e-09) ***** 
[1] xi(16)=1 zeta(17)=0
Stats: nr=10 min=1 max=10 sum3=1945
Emax=10.3885598302 nrkept=25 nrkeptmult=46 
Total energy=-1.18328595761  Egs=-0.294900969221
Kept: 25 out of 43, ratio=0.581
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 18/19 (scale 3.9464558904387007e-10) ***** 
[1] xi(17)=1 zeta(18)=0
Stats: nr=15 min=1 max=14 sum3=10488
Safeguard: keep additional 1 states
Emax=11.9993468073 nrkept=12 nrkeptmult=20 
Total energy=-1.18328595837  Egs=-1.92126420471
Kept: 12 out of 90, ratio=0.133
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 19/19 (scale 1.1392436853448838e-10) ***** 
[1] xi(18)=1 zeta(19)=0
Stats: nr=10 min=1 max=10 sum3=1945
Safeguard: keep additional 7 states
Emax=10.3892536019 nrkept=43 nrkeptmult=80 
Total energy=-1.18328595841  Egs=-0.29488120782
Kept: 43 out of 43, ratio=1
Memory used: 4 MB  Time elapsed: 0 s

** Iteration completed.


Total energy:             -1.183285958405711
TKW=7.89456554099e-06
Grand canonical Z=              4.318619326072707
Zft (last shell)=               4.318622580419173
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=	0.8125
>>  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
0.0260398475806 
(-1 2) 2 states
0.0123605822681 0.0372636603953 
(0 1) 3 states
0 0.0260398475806 0.0496242426634 
(0 3) 1 states
0.0235843950828 
(1 2) 2 states
0.0123605822681 0.0372636603953 
(2 1) 1 states
0.0260398475806 
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 0.58782471837826022) ***** 
[1] xi(0)=0.850414867915 zeta(1)=0
Stats: nr=10 min=1 max=8 sum3=1055
Emax=3.4144528532 nrkept=35 nrkeptmult=64 
Kept: 35 out of 35, ratio=1
Memory used: 5 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 2/19 (scale 0.16969037969600226) ***** 
[1] xi(1)=1.14261889596 zeta(2)=0
Stats: nr=15 min=1 max=20 sum3=30066
Emax=12.6511775056 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 0.04898539319818835) ***** 
[1] xi(2)=1.02710234835 zeta(3)=0
Stats: nr=21 min=1 max=68 sum3=768322
Safeguard: keep additional 1 states
Emax=10.9624642943 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 0.014140864974666855) ***** 
[1] xi(3)=1.00152410813 zeta(4)=0
Stats: nr=15 min=1 max=21 sum3=34502
Safeguard: keep additional 1 states
Emax=10.5574296209 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 0.0040821160998490294) ***** 
[1] xi(4)=1.00011243524 zeta(5)=0
Stats: nr=21 min=1 max=51 sum3=323951
Safeguard: keep additional 1 states
Emax=12.1774549418 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 0.0011784054145555711) ***** 
[1] xi(5)=1.00000927614 zeta(6)=0
Stats: nr=15 min=1 max=21 sum3=34502
Safeguard: keep additional 1 states
Emax=10.0179332676 nrkept=64 nrkeptmult=132 
Kept: 64 out of 134, ratio=0.478
Memory used: 6 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 7/19 (scale 0.00034017634165408575) ***** 
[1] xi(6)=1.00000077241 zeta(7)=0
Stats: nr=19 min=1 max=39 sum3=140312
Emax=10.2540013123 nrkept=33 nrkeptmult=62 
Kept: 33 out of 236, ratio=0.14
Memory used: 6 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 8/19 (scale 9.8200451212964265e-05) ***** 
[1] xi(7)=1.00000006436 zeta(8)=0
Stats: nr=15 min=1 max=19 sum3=25074
Safeguard: keep additional 1 states
Emax=10.1108873005 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 2.8348028471173817e-05) ***** 
[1] xi(8)=1.00000000536 zeta(9)=0
Stats: nr=19 min=1 max=26 sum3=39232
Emax=11.1187180758 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 8.1833709344136893e-06) ***** 
[1] xi(9)=1.00000000045 zeta(10)=0
Stats: nr=15 min=1 max=19 sum3=25074
Safeguard: keep additional 3 states
Emax=10.1270497012 nrkept=29 nrkeptmult=59 
Kept: 29 out of 120, ratio=0.242
Memory used: 6 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 11/19 (scale 2.3623357059311514e-06) ***** 
[1] xi(10)=1.00000000004 zeta(11)=0
Stats: nr=18 min=1 max=19 sum3=14741
Emax=12.820767617 nrkept=33 nrkeptmult=62 
Kept: 33 out of 107, ratio=0.308
Memory used: 6 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 12/19 (scale 6.8194757786780748e-07) ***** 
[1] xi(11)=1 zeta(12)=0
Stats: nr=15 min=1 max=19 sum3=25074
Safeguard: keep additional 1 states
Emax=10.8907637899 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 1.9686130882759593e-07) ***** 
[1] xi(12)=1 zeta(13)=0
Stats: nr=10 min=1 max=10 sum3=1945
Emax=10.2877060558 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 5.6828964822317287e-08) ***** 
[1] xi(13)=1 zeta(14)=0
Stats: nr=15 min=1 max=14 sum3=10488
Safeguard: keep additional 1 states
Emax=11.899783253 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 1.6405109068966328e-08) ***** 
[1] xi(14)=1 zeta(15)=0
Stats: nr=10 min=1 max=10 sum3=1945
Emax=10.3805203885 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 4.7357470685264401e-09) ***** 
[1] xi(15)=1 zeta(16)=0
Stats: nr=15 min=1 max=14 sum3=10488
Safeguard: keep additional 1 states
Emax=11.9916512233 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 1.3670924224138606e-09) ***** 
[1] xi(16)=1 zeta(17)=0
Stats: nr=10 min=1 max=10 sum3=1945
Emax=10.3885598302 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 3.9464558904387007e-10) ***** 
[1] xi(17)=1 zeta(18)=0
Stats: nr=15 min=1 max=14 sum3=10488
Safeguard: keep additional 1 states
Emax=11.9993468073 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 1.1392436853448838e-10) ***** 
[1] xi(18)=1 zeta(19)=0
Stats: nr=10 min=1 max=10 sum3=1945
Safeguard: keep additional 7 states
Emax=10.3892536019 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=0.500000026136 neg=0.499999973872 sum= 1.00000000001
mu1=-1.32706345912e-16 mu2=0.000672187038438 mu3=-1.73472347598e-18 mu4=0.000164249758094


Memory usage report
===================
  after diag: 6936 kB
after recalc: 6980 kB
 after split: 6936 kB
  after trim: 6980 kB
 after trunc: 6936 kB
      diag_h: 4692 kB

Peak usage: 6980 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
