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=17
TEMPERATURE T=1e-10
Nmax=17
Tmin=1e-10
Ninit=0
Lambda=16
strategy=kept
lastall=1
lastalloverride=0
z=0.5
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=	0.5
>>  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=0.5
# keep=10000 keepenergy=10 Nmax=17 channels=1 dots=1 betabar=1

Number of invariant subspaces: 6
(-2 1) 1 states
0.00980101601059 
(-1 2) 2 states
0.00465234154445 0.014025494236 
(0 1) 3 states
0 0.00980101601059 0.0186778357804 
(0 3) 1 states
0.00887681976984 
(1 2) 2 states
0.00465234154445 0.014025494236 
(2 1) 1 states
0.00980101601059 
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 1/17 (scale 1.3525266008334031) ***** 
[1] xi(0)=0.494283261678 zeta(1)=0
Stats: nr=10 min=1 max=8 sum3=1055
Emax=1.98222702876 nrkept=35 nrkeptmult=64 
Total energy=-1.33800739264  Egs=-0.953757842819
Kept: 35 out of 35, ratio=1
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 2/17 (scale 0.33813165020835079) ***** 
[1] xi(1)=1.12439039253 zeta(2)=0
Stats: nr=15 min=1 max=20 sum3=30066
Emax=9.24989330293 nrkept=126 nrkeptmult=256 
Total energy=-1.56134084339  Egs=-0.660492593946
Kept: 126 out of 126, ratio=1
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 3/17 (scale 0.084532912552087697) ***** 
[1] xi(2)=1.11522378833 zeta(3)=0
Stats: nr=21 min=1 max=75 sum3=1007202
Safeguard: keep additional 3 states
Emax=10.0969119151 nrkept=47 nrkeptmult=96 
Total energy=-1.70704152566  Egs=-1.72359709231
Kept: 47 out of 462, ratio=0.102
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 4/17 (scale 0.021133228138021924) ***** 
[1] xi(3)=1.00942883366 zeta(4)=0
Stats: nr=19 min=1 max=25 sum3=60556
Safeguard: keep additional 1 states
Emax=12.1237254126 nrkept=88 nrkeptmult=180 
Total energy=-1.71660060571  Egs=-0.452324650983
Kept: 88 out of 172, ratio=0.512
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 5/17 (scale 0.005283307034505481) ***** 
[1] xi(4)=1.00051463784 zeta(5)=0
Stats: nr=21 min=1 max=51 sum3=323951
Safeguard: keep additional 1 states
Emax=16.1585028458 nrkept=37 nrkeptmult=70 
Total energy=-1.72360337321  Egs=-1.32545155193
Kept: 37 out of 323, ratio=0.115
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 6/17 (scale 0.0013208267586263703) ***** 
[1] xi(5)=1.00003160908 zeta(6)=0
Stats: nr=15 min=1 max=21 sum3=34502
Safeguard: keep additional 1 states
Emax=10.0765249238 nrkept=49 nrkeptmult=103 
Total energy=-1.72440146314  Egs=-0.604235127237
Kept: 49 out of 134, ratio=0.366
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 7/17 (scale 0.00033020668965659257) ***** 
[1] xi(6)=1.00000197358 zeta(7)=0
Stats: nr=19 min=1 max=30 sum3=63234
Safeguard: keep additional 1 states
Emax=10.1247301433 nrkept=27 nrkeptmult=52 
Total energy=-1.72470327414  Egs=-0.914006310177
Kept: 27 out of 180, ratio=0.15
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 8/17 (scale 8.2551672414148141e-05) ***** 
[1] xi(7)=1.00000012334 zeta(8)=0
Stats: nr=15 min=1 max=15 sum3=12812
Emax=10.791956288 nrkept=35 nrkeptmult=75 
Total energy=-1.72478275122  Egs=-0.962755594415
Kept: 35 out of 98, ratio=0.357
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 9/17 (scale 2.0637918103537035e-05) ***** 
[1] xi(8)=1.00000000771 zeta(9)=0
Stats: nr=18 min=1 max=23 sum3=26651
Emax=10.5006382181 nrkept=25 nrkeptmult=46 
Total energy=-1.72479213029  Egs=-0.454458034486
Kept: 25 out of 131, ratio=0.191
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 10/17 (scale 5.1594795258842588e-06) ***** 
[1] xi(9)=1.00000000048 zeta(10)=0
Stats: nr=15 min=1 max=14 sum3=10488
Safeguard: keep additional 2 states
Emax=10.2396093982 nrkept=17 nrkeptmult=33 
Total energy=-1.72480075895  Egs=-1.67239048126
Kept: 17 out of 90, ratio=0.189
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 11/17 (scale 1.2898698814710647e-06) ***** 
[1] xi(10)=1.00000000003 zeta(11)=0
Stats: nr=14 min=1 max=13 sum3=4190
Emax=11.2831719341 nrkept=25 nrkeptmult=46 
Total energy=-1.72480111332  Egs=-0.274729732891
Kept: 25 out of 62, ratio=0.403
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 12/17 (scale 3.2246747036776618e-07) ***** 
[1] xi(11)=1 zeta(12)=0
Stats: nr=15 min=1 max=14 sum3=10488
Safeguard: keep additional 1 states
Emax=14.9038706487 nrkept=12 nrkeptmult=20 
Total energy=-1.72480173187  Egs=-1.91816498386
Kept: 12 out of 90, ratio=0.133
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 13/17 (scale 8.0616867591941544e-08) ***** 
[1] xi(12)=1 zeta(13)=0
Stats: nr=10 min=1 max=10 sum3=1945
Emax=11.9362906322 nrkept=25 nrkeptmult=46 
Total energy=-1.72480175245  Egs=-0.255387603795
Kept: 25 out of 43, ratio=0.581
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 14/17 (scale 2.0154216897985386e-08) ***** 
[1] xi(13)=1 zeta(14)=0
Stats: nr=15 min=1 max=14 sum3=10488
Safeguard: keep additional 1 states
Emax=15.9278400443 nrkept=12 nrkeptmult=20 
Total energy=-1.72480179153  Egs=-1.93877143249
Kept: 12 out of 90, ratio=0.133
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 15/17 (scale 5.0385542244963465e-09) ***** 
[1] xi(14)=1 zeta(15)=0
Stats: nr=10 min=1 max=10 sum3=1945
Emax=11.9945535306 nrkept=25 nrkeptmult=46 
Total energy=-1.72480179281  Egs=-0.254092304985
Kept: 25 out of 43, ratio=0.581
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 16/17 (scale 1.2596385561240866e-09) ***** 
[1] xi(15)=1 zeta(16)=0
Stats: nr=15 min=1 max=14 sum3=10488
Safeguard: keep additional 1 states
Emax=15.9954928261 nrkept=12 nrkeptmult=20 
Total energy=-1.72480179525  Egs=-1.940087504
Kept: 12 out of 90, ratio=0.133
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 17/17 (scale 3.1490963903102166e-10) ***** 
[1] xi(16)=1 zeta(17)=0
Stats: nr=10 min=1 max=10 sum3=1945
Emax=11.9982845609 nrkept=43 nrkeptmult=80 
Total energy=-1.72480179533  Egs=-0.254010955851
Kept: 43 out of 43, ratio=1
Memory used: 4 MB  Time elapsed: 0 s

** Iteration completed.


Total energy:             -1.724801795332495
TKW=4.75252504688e-06
Grand canonical Z=              4.000045361089174
Zft (last shell)=               4.000043478681468
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=	0.5
>>  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
0.00980101601059 
(-1 2) 2 states
0.00465234154445 0.014025494236 
(0 1) 3 states
0 0.00980101601059 0.0186778357804 
(0 3) 1 states
0.00887681976984 
(1 2) 2 states
0.00465234154445 0.014025494236 
(2 1) 1 states
0.00980101601059 
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 1/17 (scale 1.3525266008334031) ***** 
[1] xi(0)=0.494283261678 zeta(1)=0
Stats: nr=10 min=1 max=8 sum3=1055
Emax=1.98222702876 nrkept=35 nrkeptmult=64 
Kept: 35 out of 35, ratio=1
Memory used: 5 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 2/17 (scale 0.33813165020835079) ***** 
[1] xi(1)=1.12439039253 zeta(2)=0
Stats: nr=15 min=1 max=20 sum3=30066
Emax=9.24989330293 nrkept=126 nrkeptmult=256 
Kept: 126 out of 126, ratio=1
Memory used: 5 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 3/17 (scale 0.084532912552087697) ***** 
[1] xi(2)=1.11522378833 zeta(3)=0
Stats: nr=21 min=1 max=75 sum3=1007202
Safeguard: keep additional 3 states
Emax=10.0969119151 nrkept=47 nrkeptmult=96 
Kept: 47 out of 462, ratio=0.102
Memory used: 5 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 4/17 (scale 0.021133228138021924) ***** 
[1] xi(3)=1.00942883366 zeta(4)=0
Stats: nr=19 min=1 max=25 sum3=60556
Safeguard: keep additional 1 states
Emax=12.1237254126 nrkept=88 nrkeptmult=180 
Kept: 88 out of 172, ratio=0.512
Memory used: 5 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 5/17 (scale 0.005283307034505481) ***** 
[1] xi(4)=1.00051463784 zeta(5)=0
Stats: nr=21 min=1 max=51 sum3=323951
Safeguard: keep additional 1 states
Emax=16.1585028458 nrkept=37 nrkeptmult=70 
Kept: 37 out of 323, ratio=0.115
Memory used: 5 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 6/17 (scale 0.0013208267586263703) ***** 
[1] xi(5)=1.00003160908 zeta(6)=0
Stats: nr=15 min=1 max=21 sum3=34502
Safeguard: keep additional 1 states
Emax=10.0765249238 nrkept=49 nrkeptmult=103 
Kept: 49 out of 134, ratio=0.366
Memory used: 5 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 7/17 (scale 0.00033020668965659257) ***** 
[1] xi(6)=1.00000197358 zeta(7)=0
Stats: nr=19 min=1 max=30 sum3=63234
Safeguard: keep additional 1 states
Emax=10.1247301433 nrkept=27 nrkeptmult=52 
Kept: 27 out of 180, ratio=0.15
Memory used: 5 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 8/17 (scale 8.2551672414148141e-05) ***** 
[1] xi(7)=1.00000012334 zeta(8)=0
Stats: nr=15 min=1 max=15 sum3=12812
Emax=10.791956288 nrkept=35 nrkeptmult=75 
Kept: 35 out of 98, ratio=0.357
Memory used: 6 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 9/17 (scale 2.0637918103537035e-05) ***** 
[1] xi(8)=1.00000000771 zeta(9)=0
Stats: nr=18 min=1 max=23 sum3=26651
Emax=10.5006382181 nrkept=25 nrkeptmult=46 
Kept: 25 out of 131, ratio=0.191
Memory used: 6 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 10/17 (scale 5.1594795258842588e-06) ***** 
[1] xi(9)=1.00000000048 zeta(10)=0
Stats: nr=15 min=1 max=14 sum3=10488
Safeguard: keep additional 2 states
Emax=10.2396093982 nrkept=17 nrkeptmult=33 
Kept: 17 out of 90, ratio=0.189
Memory used: 6 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 11/17 (scale 1.2898698814710647e-06) ***** 
[1] xi(10)=1.00000000003 zeta(11)=0
Stats: nr=14 min=1 max=13 sum3=4190
Emax=11.2831719341 nrkept=25 nrkeptmult=46 
Kept: 25 out of 62, ratio=0.403
Memory used: 6 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 12/17 (scale 3.2246747036776618e-07) ***** 
[1] xi(11)=1 zeta(12)=0
Stats: nr=15 min=1 max=14 sum3=10488
Safeguard: keep additional 1 states
Emax=14.9038706487 nrkept=12 nrkeptmult=20 
Kept: 12 out of 90, ratio=0.133
Memory used: 6 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 13/17 (scale 8.0616867591941544e-08) ***** 
[1] xi(12)=1 zeta(13)=0
Stats: nr=10 min=1 max=10 sum3=1945
Emax=11.9362906322 nrkept=25 nrkeptmult=46 
Kept: 25 out of 43, ratio=0.581
Memory used: 6 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 14/17 (scale 2.0154216897985386e-08) ***** 
[1] xi(13)=1 zeta(14)=0
Stats: nr=15 min=1 max=14 sum3=10488
Safeguard: keep additional 1 states
Emax=15.9278400443 nrkept=12 nrkeptmult=20 
Kept: 12 out of 90, ratio=0.133
Memory used: 6 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 15/17 (scale 5.0385542244963465e-09) ***** 
[1] xi(14)=1 zeta(15)=0
Stats: nr=10 min=1 max=10 sum3=1945
Emax=11.9945535306 nrkept=25 nrkeptmult=46 
Kept: 25 out of 43, ratio=0.581
Memory used: 6 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 16/17 (scale 1.2596385561240866e-09) ***** 
[1] xi(15)=1 zeta(16)=0
Stats: nr=15 min=1 max=14 sum3=10488
Safeguard: keep additional 1 states
Emax=15.9954928261 nrkept=12 nrkeptmult=20 
Kept: 12 out of 90, ratio=0.133
Memory used: 6 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 17/17 (scale 3.1490963903102166e-10) ***** 
[1] xi(16)=1 zeta(17)=0
Stats: nr=10 min=1 max=10 sum3=1945
Emax=11.9982845609 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=0.5 neg=0.5 sum= 1
mu1=-8.23993651089e-18 mu2=0.000666827190999 mu3=2.11419423635e-18 mu4=0.00028979814763


Memory usage report
===================
  after diag: 6592 kB
after recalc: 6636 kB
 after split: 6592 kB
  after trim: 6636 kB
 after trunc: 6592 kB
      diag_h: 4724 kB

Peak usage: 6636 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
