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=0.375
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=	0.375
>>  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=0.375
# keep=10000 keepenergy=10 Nmax=19 channels=1 dots=1 betabar=1

Number of invariant subspaces: 6
(-2 1) 1 states
0.00878004299676 
(-1 2) 2 states
0.00416770656754 0.0125644568185 
(0 1) 3 states
0 0.00878004299676 0.0167321633861 
(0 3) 1 states
0.0079521203893 
(1 2) 2 states
0.00416770656754 0.0125644568185 
(2 1) 1 states
0.00878004299676 
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 1.7433702860351272) ***** 
[1] xi(0)=0.391278492642 zeta(1)=0
Stats: nr=10 min=1 max=8 sum3=1055
Emax=1.56904448135 nrkept=35 nrkeptmult=64 
Total energy=-1.36521276313  Egs=-0.755541283572
Kept: 35 out of 35, ratio=1
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 2/19 (scale 0.50326765196978784) ***** 
[1] xi(1)=1.04712816896 zeta(2)=0
Stats: nr=15 min=1 max=20 sum3=30066
Emax=6.97598463741 nrkept=126 nrkeptmult=256 
Total energy=-1.75289370432  Egs=-0.770327557662
Kept: 126 out of 126, ratio=1
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 3/19 (scale 0.14528085716959394) ***** 
[1] xi(2)=1.21702200909 zeta(3)=0
Stats: nr=21 min=1 max=75 sum3=1007202
Emax=11.9650285112 nrkept=148 nrkeptmult=324 
Total energy=-2.01763435287  Egs=-1.82226794157
Kept: 148 out of 462, ratio=0.32
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 4/19 (scale 0.041938970997482318) ***** 
[1] xi(3)=1.0276867177 zeta(4)=0
Stats: nr=25 min=1 max=71 sum3=1411012
Safeguard: keep additional 1 states
Emax=10.4457397662 nrkept=88 nrkeptmult=180 
Total energy=-2.03723804585  Egs=-0.467433809586
Kept: 88 out of 550, ratio=0.16
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 5/19 (scale 0.012106738097466162) ***** 
[1] xi(4)=1.00182141299 zeta(5)=0
Stats: nr=21 min=1 max=51 sum3=323951
Safeguard: keep additional 1 states
Emax=12.0632206172 nrkept=37 nrkeptmult=70 
Total energy=-2.05484590497  Egs=-1.45438506852
Kept: 37 out of 323, ratio=0.115
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 6/19 (scale 0.0034949142497901933) ***** 
[1] xi(5)=1.00014506311 zeta(6)=0
Stats: nr=15 min=1 max=21 sum3=34502
Safeguard: keep additional 1 states
Emax=11.1032633793 nrkept=88 nrkeptmult=180 
Total energy=-2.05693474926  Egs=-0.597681129044
Kept: 88 out of 134, ratio=0.657
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 7/19 (scale 0.0010088948414555135) ***** 
[1] xi(6)=1.00001204911 zeta(7)=0
Stats: nr=21 min=1 max=51 sum3=323951
Safeguard: keep additional 1 states
Emax=12.5930168005 nrkept=37 nrkeptmult=70 
Total energy=-2.05805861505  Egs=-1.11395731854
Kept: 37 out of 323, ratio=0.115
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 8/19 (scale 0.00029124285414918274) ***** 
[1] xi(7)=1.00000100383 zeta(8)=0
Stats: nr=15 min=1 max=21 sum3=34502
Safeguard: keep additional 1 states
Emax=11.2731614313 nrkept=46 nrkeptmult=100 
Total energy=-2.05829260702  Egs=-0.803425604437
Kept: 46 out of 134, ratio=0.343
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 9/19 (scale 8.4074570121292781e-05) ***** 
[1] xi(8)=1.00000008365 zeta(9)=0
Stats: nr=19 min=1 max=29 sum3=54903
Emax=10.9472777076 nrkept=33 nrkeptmult=62 
Total energy=-2.05835231  Egs=-0.710119328743
Kept: 33 out of 171, ratio=0.193
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 10/19 (scale 2.4270237845765232e-05) ***** 
[1] xi(9)=1.00000000697 zeta(10)=0
Stats: nr=15 min=1 max=19 sum3=25074
Emax=10.5863407618 nrkept=35 nrkeptmult=73 
Total energy=-2.05838443397  Egs=-1.32359540628
Kept: 35 out of 120, ratio=0.292
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 11/19 (scale 7.0062141767743996e-06) ***** 
[1] xi(10)=1.00000000058 zeta(11)=0
Stats: nr=18 min=1 max=23 sum3=26314
Emax=11.9200431924 nrkept=33 nrkeptmult=62 
Total energy=-2.05838710598  Egs=-0.38137729657
Kept: 33 out of 130, ratio=0.254
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 12/19 (scale 2.0225198204804354e-06) ***** 
[1] xi(11)=1.00000000005 zeta(12)=0
Stats: nr=15 min=1 max=19 sum3=25074
Safeguard: keep additional 2 states
Emax=10.4605591066 nrkept=17 nrkeptmult=33 
Total energy=-2.05839078034  Egs=-1.81672356799
Kept: 17 out of 120, ratio=0.142
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 13/19 (scale 5.8385118139786649e-07) ***** 
[1] xi(12)=1 zeta(13)=0
Stats: nr=14 min=1 max=13 sum3=4190
Emax=10.1103612023 nrkept=25 nrkeptmult=46 
Total energy=-2.05839095773  Egs=-0.303814890113
Kept: 25 out of 62, ratio=0.403
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 14/19 (scale 1.6854331837336965e-07) ***** 
[1] xi(13)=1 zeta(14)=0
Stats: nr=15 min=1 max=14 sum3=10488
Safeguard: keep additional 1 states
Emax=11.706899254 nrkept=12 nrkeptmult=20 
Total energy=-2.05839127992  Egs=-1.91163645685
Kept: 12 out of 90, ratio=0.133
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 15/19 (scale 4.8654265116488883e-08) ***** 
[1] xi(14)=1 zeta(15)=0
Stats: nr=10 min=1 max=10 sum3=1945
Emax=10.3635038254 nrkept=25 nrkeptmult=46 
Total energy=-2.0583912943  Egs=-0.295643144208
Kept: 25 out of 43, ratio=0.581
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 16/19 (scale 1.4045276531114137e-08) ***** 
[1] xi(15)=1 zeta(16)=0
Stats: nr=15 min=1 max=14 sum3=10488
Safeguard: keep additional 1 states
Emax=11.9752257046 nrkept=12 nrkeptmult=20 
Total energy=-2.05839132128  Egs=-1.92047572992
Kept: 12 out of 90, ratio=0.133
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 17/19 (scale 4.0545220930407397e-09) ***** 
[1] xi(16)=1 zeta(17)=0
Stats: nr=10 min=1 max=10 sum3=1945
Emax=10.3871251047 nrkept=25 nrkeptmult=46 
Total energy=-2.05839132247  Egs=-0.294943184578
Kept: 25 out of 43, ratio=0.581
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 18/19 (scale 1.1704397109261781e-09) ***** 
[1] xi(17)=1 zeta(18)=0
Stats: nr=15 min=1 max=14 sum3=10488
Safeguard: keep additional 1 states
Emax=11.9979761447 nrkept=12 nrkeptmult=20 
Total energy=-2.05839132472  Egs=-1.92121942754
Kept: 12 out of 90, ratio=0.133
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 19/19 (scale 3.3787684108672834e-10) ***** 
[1] xi(18)=1 zeta(19)=0
Stats: nr=10 min=1 max=10 sum3=1945
Emax=10.3891121701 nrkept=43 nrkeptmult=80 
Total energy=-2.05839132482  Egs=-0.294884725871
Kept: 43 out of 43, ratio=1
Memory used: 4 MB  Time elapsed: 0 s

** Iteration completed.


Total energy:             -2.058391324822168
TKW=1.50976220324e-05
Grand canonical Z=              4.000123706069783
Zft (last shell)=               4.000119185153213
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=	0.375
>>  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
0.00878004299676 
(-1 2) 2 states
0.00416770656754 0.0125644568185 
(0 1) 3 states
0 0.00878004299676 0.0167321633861 
(0 3) 1 states
0.0079521203893 
(1 2) 2 states
0.00416770656754 0.0125644568185 
(2 1) 1 states
0.00878004299676 
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 1.7433702860351272) ***** 
[1] xi(0)=0.391278492642 zeta(1)=0
Stats: nr=10 min=1 max=8 sum3=1055
Emax=1.56904448135 nrkept=35 nrkeptmult=64 
Kept: 35 out of 35, ratio=1
Memory used: 5 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 2/19 (scale 0.50326765196978784) ***** 
[1] xi(1)=1.04712816896 zeta(2)=0
Stats: nr=15 min=1 max=20 sum3=30066
Emax=6.97598463741 nrkept=126 nrkeptmult=256 
Kept: 126 out of 126, ratio=1
Memory used: 6 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 3/19 (scale 0.14528085716959394) ***** 
[1] xi(2)=1.21702200909 zeta(3)=0
Stats: nr=21 min=1 max=75 sum3=1007202
Emax=11.9650285112 nrkept=148 nrkeptmult=324 
Kept: 148 out of 462, ratio=0.32
Memory used: 6 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 4/19 (scale 0.041938970997482318) ***** 
[1] xi(3)=1.0276867177 zeta(4)=0
Stats: nr=25 min=1 max=71 sum3=1411012
Safeguard: keep additional 1 states
Emax=10.4457397662 nrkept=88 nrkeptmult=180 
Kept: 88 out of 550, ratio=0.16
Memory used: 6 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 5/19 (scale 0.012106738097466162) ***** 
[1] xi(4)=1.00182141299 zeta(5)=0
Stats: nr=21 min=1 max=51 sum3=323951
Safeguard: keep additional 1 states
Emax=12.0632206172 nrkept=37 nrkeptmult=70 
Kept: 37 out of 323, ratio=0.115
Memory used: 7 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 6/19 (scale 0.0034949142497901933) ***** 
[1] xi(5)=1.00014506311 zeta(6)=0
Stats: nr=15 min=1 max=21 sum3=34502
Safeguard: keep additional 1 states
Emax=11.1032633793 nrkept=88 nrkeptmult=180 
Kept: 88 out of 134, ratio=0.657
Memory used: 7 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 7/19 (scale 0.0010088948414555135) ***** 
[1] xi(6)=1.00001204911 zeta(7)=0
Stats: nr=21 min=1 max=51 sum3=323951
Safeguard: keep additional 1 states
Emax=12.5930168005 nrkept=37 nrkeptmult=70 
Kept: 37 out of 323, ratio=0.115
Memory used: 7 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 8/19 (scale 0.00029124285414918274) ***** 
[1] xi(7)=1.00000100383 zeta(8)=0
Stats: nr=15 min=1 max=21 sum3=34502
Safeguard: keep additional 1 states
Emax=11.2731614313 nrkept=46 nrkeptmult=100 
Kept: 46 out of 134, ratio=0.343
Memory used: 7 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 9/19 (scale 8.4074570121292781e-05) ***** 
[1] xi(8)=1.00000008365 zeta(9)=0
Stats: nr=19 min=1 max=29 sum3=54903
Emax=10.9472777076 nrkept=33 nrkeptmult=62 
Kept: 33 out of 171, ratio=0.193
Memory used: 7 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 10/19 (scale 2.4270237845765232e-05) ***** 
[1] xi(9)=1.00000000697 zeta(10)=0
Stats: nr=15 min=1 max=19 sum3=25074
Emax=10.5863407618 nrkept=35 nrkeptmult=73 
Kept: 35 out of 120, ratio=0.292
Memory used: 7 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 11/19 (scale 7.0062141767743996e-06) ***** 
[1] xi(10)=1.00000000058 zeta(11)=0
Stats: nr=18 min=1 max=23 sum3=26314
Emax=11.9200431924 nrkept=33 nrkeptmult=62 
Kept: 33 out of 130, ratio=0.254
Memory used: 7 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 12/19 (scale 2.0225198204804354e-06) ***** 
[1] xi(11)=1.00000000005 zeta(12)=0
Stats: nr=15 min=1 max=19 sum3=25074
Safeguard: keep additional 2 states
Emax=10.4605591066 nrkept=17 nrkeptmult=33 
Kept: 17 out of 120, ratio=0.142
Memory used: 7 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 13/19 (scale 5.8385118139786649e-07) ***** 
[1] xi(12)=1 zeta(13)=0
Stats: nr=14 min=1 max=13 sum3=4190
Emax=10.1103612023 nrkept=25 nrkeptmult=46 
Kept: 25 out of 62, ratio=0.403
Memory used: 7 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 14/19 (scale 1.6854331837336965e-07) ***** 
[1] xi(13)=1 zeta(14)=0
Stats: nr=15 min=1 max=14 sum3=10488
Safeguard: keep additional 1 states
Emax=11.706899254 nrkept=12 nrkeptmult=20 
Kept: 12 out of 90, ratio=0.133
Memory used: 7 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 15/19 (scale 4.8654265116488883e-08) ***** 
[1] xi(14)=1 zeta(15)=0
Stats: nr=10 min=1 max=10 sum3=1945
Emax=10.3635038254 nrkept=25 nrkeptmult=46 
Kept: 25 out of 43, ratio=0.581
Memory used: 7 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 16/19 (scale 1.4045276531114137e-08) ***** 
[1] xi(15)=1 zeta(16)=0
Stats: nr=15 min=1 max=14 sum3=10488
Safeguard: keep additional 1 states
Emax=11.9752257046 nrkept=12 nrkeptmult=20 
Kept: 12 out of 90, ratio=0.133
Memory used: 7 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 17/19 (scale 4.0545220930407397e-09) ***** 
[1] xi(16)=1 zeta(17)=0
Stats: nr=10 min=1 max=10 sum3=1945
Emax=10.3871251047 nrkept=25 nrkeptmult=46 
Kept: 25 out of 43, ratio=0.581
Memory used: 7 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 18/19 (scale 1.1704397109261781e-09) ***** 
[1] xi(17)=1 zeta(18)=0
Stats: nr=15 min=1 max=14 sum3=10488
Safeguard: keep additional 1 states
Emax=11.9979761447 nrkept=12 nrkeptmult=20 
Kept: 12 out of 90, ratio=0.133
Memory used: 7 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 19/19 (scale 3.3787684108672834e-10) ***** 
[1] xi(18)=1 zeta(19)=0
Stats: nr=10 min=1 max=10 sum3=1945
Emax=10.3891121701 nrkept=43 nrkeptmult=80 
Kept: 43 out of 43, ratio=1
Memory used: 7 MB  Time elapsed: 0 s

** Iteration completed.

Spectrum: A_d-A_d FDM
[A_d-A_d] pos=0.499999999975 neg=0.499999999975 sum= 0.99999999995
mu1=-1.25767452008e-16 mu2=0.000664996419833 mu3=-9.21571846613e-19 mu4=0.000296973076585


Memory usage report
===================
  after diag: 7580 kB
after recalc: 7580 kB
 after split: 7580 kB
  after trim: 7580 kB
 after trunc: 7580 kB
      diag_h: 4844 kB

Peak usage: 7580 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
