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=0.6875
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=	0.6875
>>  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=0.6875
# keep=10000 keepenergy=10 Nmax=17 channels=1 dots=1 betabar=1

Number of invariant subspaces: 6
(-2 1) 1 states
0.0164832784583 
(-1 2) 2 states
0.00782427465453 0.0235879756504 
(0 1) 3 states
0 0.0164832784583 0.0314122503049 
(0 3) 1 states
0.0149289718466 
(1 2) 2 states
0.00782427465453 0.0235879756504 
(2 1) 1 states
0.0164832784583 
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 0.8042171284707641) ***** 
[1] xi(0)=0.711209055273 zeta(1)=0
Stats: nr=10 min=1 max=8 sum3=1055
Emax=2.85379618438 nrkept=35 nrkeptmult=64 
Total energy=-1.14503588632  Egs=-1.36407359158
Kept: 35 out of 35, ratio=1
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 2/17 (scale 0.20105428211769102) ***** 
[1] xi(1)=1.18013405331 zeta(2)=0
Stats: nr=15 min=1 max=20 sum3=30066
Emax=12.328341582 nrkept=117 nrkeptmult=241 
Total energy=-1.25631529218  Egs=-0.553479412047
Kept: 117 out of 126, ratio=0.929
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 3/17 (scale 0.050263570529422756) ***** 
[1] xi(2)=1.04850823408 zeta(3)=0
Stats: nr=21 min=1 max=68 sum3=768322
Safeguard: keep additional 1 states
Emax=12.3348403326 nrkept=37 nrkeptmult=70 
Total energy=-1.33904448164  Egs=-1.64590753487
Kept: 37 out of 430, ratio=0.086
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 4/17 (scale 0.012565892632355689) ***** 
[1] xi(3)=1.00291524315 zeta(4)=0
Stats: nr=15 min=1 max=21 sum3=34502
Safeguard: keep additional 1 states
Emax=12.2091465658 nrkept=88 nrkeptmult=180 
Total energy=-1.34507099422  Egs=-0.479592874987
Kept: 88 out of 134, ratio=0.657
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 5/17 (scale 0.0031414731580889223) ***** 
[1] xi(4)=1.00016707954 zeta(5)=0
Stats: nr=21 min=1 max=51 sum3=323951
Safeguard: keep additional 1 states
Emax=16.2580256227 nrkept=37 nrkeptmult=70 
Total energy=-1.34899442108  Egs=-1.24891306332
Kept: 37 out of 323, ratio=0.115
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 6/17 (scale 0.00078536828952223056) ***** 
[1] xi(5)=1.00001035619 zeta(6)=0
Stats: nr=15 min=1 max=21 sum3=34502
Safeguard: keep additional 2 states
Emax=10.9292871476 nrkept=47 nrkeptmult=99 
Total energy=-1.3494997555  Egs=-0.643436236852
Kept: 47 out of 134, ratio=0.351
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 7/17 (scale 0.00019634207238055764) ***** 
[1] xi(6)=1.00000064694 zeta(7)=0
Stats: nr=19 min=1 max=28 sum3=52804
Emax=10.4050360718 nrkept=21 nrkeptmult=42 
Total energy=-1.34966180539  Egs=-0.82534470905
Kept: 21 out of 172, ratio=0.122
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 8/17 (scale 4.908551809513941e-05) ***** 
[1] xi(7)=1.00000004043 zeta(8)=0
Stats: nr=13 min=1 max=13 sum3=7902
Emax=11.3769992161 nrkept=35 nrkeptmult=75 
Total energy=-1.34971508594  Egs=-1.08546370106
Kept: 35 out of 78, ratio=0.449
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 9/17 (scale 1.2271379523784853e-05) ***** 
[1] xi(8)=1.00000000253 zeta(9)=0
Stats: nr=18 min=1 max=23 sum3=26651
Emax=10.4538570551 nrkept=25 nrkeptmult=46 
Total energy=-1.34971992094  Egs=-0.394006769521
Kept: 25 out of 131, ratio=0.191
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 10/17 (scale 3.0678448809462131e-06) ***** 
[1] xi(9)=1.00000000016 zeta(10)=0
Stats: nr=15 min=1 max=14 sum3=10488
Safeguard: keep additional 1 states
Emax=10.2047641807 nrkept=12 nrkeptmult=20 
Total energy=-1.34972533099  Egs=-1.76346656475
Kept: 12 out of 90, ratio=0.133
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 11/17 (scale 7.6696122023655329e-07) ***** 
[1] xi(10)=1.00000000001 zeta(11)=0
Stats: nr=10 min=1 max=10 sum3=1945
Emax=11.5129618922 nrkept=25 nrkeptmult=46 
Total energy=-1.34972553547  Egs=-0.266609121802
Kept: 25 out of 43, ratio=0.581
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 12/17 (scale 1.9174030505913832e-07) ***** 
[1] xi(11)=1 zeta(12)=0
Stats: nr=15 min=1 max=14 sum3=10488
Safeguard: keep additional 1 states
Emax=15.3342925922 nrkept=12 nrkeptmult=20 
Total energy=-1.34972590496  Egs=-1.92703989292
Kept: 12 out of 90, ratio=0.133
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 13/17 (scale 4.793507626478458e-08) ***** 
[1] xi(12)=1 zeta(13)=0
Stats: nr=10 min=1 max=10 sum3=1945
Emax=11.9612998241 nrkept=25 nrkeptmult=46 
Total energy=-1.34972591717  Egs=-0.254825696201
Kept: 25 out of 43, ratio=0.581
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 14/17 (scale 1.1983769066196145e-08) ***** 
[1] xi(13)=1 zeta(14)=0
Stats: nr=15 min=1 max=14 sum3=10488
Safeguard: keep additional 1 states
Emax=15.9572056938 nrkept=12 nrkeptmult=20 
Total energy=-1.34972594041  Egs=-1.93934439869
Kept: 12 out of 90, ratio=0.133
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 15/17 (scale 2.9959422665490363e-09) ***** 
[1] xi(14)=1 zeta(15)=0
Stats: nr=10 min=1 max=10 sum3=1945
Emax=11.9961749204 nrkept=25 nrkeptmult=46 
Total energy=-1.34972594117  Egs=-0.254056928945
Kept: 25 out of 43, ratio=0.581
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 16/17 (scale 7.4898556663725907e-10) ***** 
[1] xi(15)=1 zeta(16)=0
Stats: nr=15 min=1 max=14 sum3=10488
Safeguard: keep additional 1 states
Emax=15.997335467 nrkept=12 nrkeptmult=20 
Total energy=-1.34972594263  Egs=-1.94012338683
Kept: 12 out of 90, ratio=0.133
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 17/17 (scale 1.8724639165931477e-10) ***** 
[1] xi(16)=1 zeta(17)=0
Stats: nr=10 min=1 max=10 sum3=1945
Emax=11.9983861241 nrkept=43 nrkeptmult=80 
Total energy=-1.34972594267  Egs=-0.254008743966
Kept: 43 out of 43, ratio=1
Memory used: 4 MB  Time elapsed: 0 s

** Iteration completed.


Total energy:             -1.349725942673788
TKW=1.54825763672e-05
Grand canonical Z=              4.008951486394412
Zft (last shell)=               4.008952144427632
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=	0.6875
>>  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
0.0164832784583 
(-1 2) 2 states
0.00782427465453 0.0235879756504 
(0 1) 3 states
0 0.0164832784583 0.0314122503049 
(0 3) 1 states
0.0149289718466 
(1 2) 2 states
0.00782427465453 0.0235879756504 
(2 1) 1 states
0.0164832784583 
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 0.8042171284707641) ***** 
[1] xi(0)=0.711209055273 zeta(1)=0
Stats: nr=10 min=1 max=8 sum3=1055
Emax=2.85379618438 nrkept=35 nrkeptmult=64 
Kept: 35 out of 35, ratio=1
Memory used: 4 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 2/17 (scale 0.20105428211769102) ***** 
[1] xi(1)=1.18013405331 zeta(2)=0
Stats: nr=15 min=1 max=20 sum3=30066
Emax=12.328341582 nrkept=117 nrkeptmult=241 
Kept: 117 out of 126, ratio=0.929
Memory used: 4 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 3/17 (scale 0.050263570529422756) ***** 
[1] xi(2)=1.04850823408 zeta(3)=0
Stats: nr=21 min=1 max=68 sum3=768322
Safeguard: keep additional 1 states
Emax=12.3348403326 nrkept=37 nrkeptmult=70 
Kept: 37 out of 430, ratio=0.086
Memory used: 5 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 4/17 (scale 0.012565892632355689) ***** 
[1] xi(3)=1.00291524315 zeta(4)=0
Stats: nr=15 min=1 max=21 sum3=34502
Safeguard: keep additional 1 states
Emax=12.2091465658 nrkept=88 nrkeptmult=180 
Kept: 88 out of 134, ratio=0.657
Memory used: 5 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 5/17 (scale 0.0031414731580889223) ***** 
[1] xi(4)=1.00016707954 zeta(5)=0
Stats: nr=21 min=1 max=51 sum3=323951
Safeguard: keep additional 1 states
Emax=16.2580256227 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 0.00078536828952223056) ***** 
[1] xi(5)=1.00001035619 zeta(6)=0
Stats: nr=15 min=1 max=21 sum3=34502
Safeguard: keep additional 2 states
Emax=10.9292871476 nrkept=47 nrkeptmult=99 
Kept: 47 out of 134, ratio=0.351
Memory used: 5 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 7/17 (scale 0.00019634207238055764) ***** 
[1] xi(6)=1.00000064694 zeta(7)=0
Stats: nr=19 min=1 max=28 sum3=52804
Emax=10.4050360718 nrkept=21 nrkeptmult=42 
Kept: 21 out of 172, ratio=0.122
Memory used: 5 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 8/17 (scale 4.908551809513941e-05) ***** 
[1] xi(7)=1.00000004043 zeta(8)=0
Stats: nr=13 min=1 max=13 sum3=7902
Emax=11.3769992161 nrkept=35 nrkeptmult=75 
Kept: 35 out of 78, ratio=0.449
Memory used: 5 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 9/17 (scale 1.2271379523784853e-05) ***** 
[1] xi(8)=1.00000000253 zeta(9)=0
Stats: nr=18 min=1 max=23 sum3=26651
Emax=10.4538570551 nrkept=25 nrkeptmult=46 
Kept: 25 out of 131, ratio=0.191
Memory used: 5 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 10/17 (scale 3.0678448809462131e-06) ***** 
[1] xi(9)=1.00000000016 zeta(10)=0
Stats: nr=15 min=1 max=14 sum3=10488
Safeguard: keep additional 1 states
Emax=10.2047641807 nrkept=12 nrkeptmult=20 
Kept: 12 out of 90, ratio=0.133
Memory used: 5 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 11/17 (scale 7.6696122023655329e-07) ***** 
[1] xi(10)=1.00000000001 zeta(11)=0
Stats: nr=10 min=1 max=10 sum3=1945
Emax=11.5129618922 nrkept=25 nrkeptmult=46 
Kept: 25 out of 43, ratio=0.581
Memory used: 5 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 12/17 (scale 1.9174030505913832e-07) ***** 
[1] xi(11)=1 zeta(12)=0
Stats: nr=15 min=1 max=14 sum3=10488
Safeguard: keep additional 1 states
Emax=15.3342925922 nrkept=12 nrkeptmult=20 
Kept: 12 out of 90, ratio=0.133
Memory used: 5 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 13/17 (scale 4.793507626478458e-08) ***** 
[1] xi(12)=1 zeta(13)=0
Stats: nr=10 min=1 max=10 sum3=1945
Emax=11.9612998241 nrkept=25 nrkeptmult=46 
Kept: 25 out of 43, ratio=0.581
Memory used: 5 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 14/17 (scale 1.1983769066196145e-08) ***** 
[1] xi(13)=1 zeta(14)=0
Stats: nr=15 min=1 max=14 sum3=10488
Safeguard: keep additional 1 states
Emax=15.9572056938 nrkept=12 nrkeptmult=20 
Kept: 12 out of 90, ratio=0.133
Memory used: 5 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 15/17 (scale 2.9959422665490363e-09) ***** 
[1] xi(14)=1 zeta(15)=0
Stats: nr=10 min=1 max=10 sum3=1945
Emax=11.9961749204 nrkept=25 nrkeptmult=46 
Kept: 25 out of 43, ratio=0.581
Memory used: 5 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 16/17 (scale 7.4898556663725907e-10) ***** 
[1] xi(15)=1 zeta(16)=0
Stats: nr=15 min=1 max=14 sum3=10488
Safeguard: keep additional 1 states
Emax=15.997335467 nrkept=12 nrkeptmult=20 
Kept: 12 out of 90, ratio=0.133
Memory used: 5 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 17/17 (scale 1.8724639165931477e-10) ***** 
[1] xi(16)=1 zeta(17)=0
Stats: nr=10 min=1 max=10 sum3=1945
Emax=11.9983861241 nrkept=43 nrkeptmult=80 
Kept: 43 out of 43, ratio=1
Memory used: 5 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=2.51534904017e-16 mu2=0.000669886430356 mu3=-2.03287907341e-18 mu4=0.000213493390145


Memory usage report
===================
  after diag: 5544 kB
after recalc: 5584 kB
 after split: 5544 kB
  after trim: 5584 kB
 after trunc: 5544 kB
      diag_h: 4664 kB

Peak usage: 5584 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
