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=0.6875
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=	12.	 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=12 z=0.6875
# keep=10000 keepenergy=10 Nmax=19 channels=1 dots=1 betabar=1

Number of invariant subspaces: 6
(-2 1) 1 states
0.0190871366209 
(-1 2) 2 states
0.00906027278906 0.0273141605287 
(0 1) 3 states
0 0.0190871366209 0.0363744333177 
(0 3) 1 states
0.0172872966969 
(1 2) 2 states
0.00906027278906 0.0273141605287 
(2 1) 1 states
0.0190871366209 
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 0.80194669188491863) ***** 
[1] xi(0)=0.725242162426 zeta(1)=0
Stats: nr=10 min=1 max=8 sum3=1055
Emax=2.90990882451 nrkept=35 nrkeptmult=64 
Total energy=-1.16429587775  Egs=-1.39195204565
Kept: 35 out of 35, ratio=1
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 2/19 (scale 0.23150206921774383) ***** 
[1] xi(1)=1.16739212432 zeta(2)=0
Stats: nr=15 min=1 max=20 sum3=30066
Emax=11.0882217491 nrkept=117 nrkeptmult=241 
Total energy=-1.30237021161  Egs=-0.59642807653
Kept: 117 out of 126, ratio=0.929
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 3/19 (scale 0.066828890990409881) ***** 
[1] xi(2)=1.05623776816 zeta(3)=0
Stats: nr=21 min=1 max=68 sum3=768322
Safeguard: keep additional 3 states
Emax=10.5823154798 nrkept=47 nrkeptmult=96 
Total energy=-1.41440715336  Egs=-1.67647465171
Kept: 47 out of 430, ratio=0.109
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 4/19 (scale 0.01929183910147865) ***** 
[1] xi(3)=1.00433691683 zeta(4)=0
Stats: nr=19 min=1 max=25 sum3=60556
Safeguard: keep additional 1 states
Emax=10.5124168494 nrkept=88 nrkeptmult=180 
Total energy=-1.42409769227  Egs=-0.502312862297
Kept: 88 out of 172, ratio=0.512
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 5/19 (scale 0.0055690742492008234) ***** 
[1] xi(4)=1.00032269183 zeta(5)=0
Stats: nr=21 min=1 max=51 sum3=323951
Safeguard: keep additional 1 states
Emax=12.13293301 nrkept=37 nrkeptmult=70 
Total energy=-1.43160201489  Egs=-1.34749911407
Kept: 37 out of 323, ratio=0.115
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 6/19 (scale 0.0016076532584565542) ***** 
[1] xi(5)=1.00002652546 zeta(6)=0
Stats: nr=15 min=1 max=21 sum3=34502
Safeguard: keep additional 1 states
Emax=10.0106824271 nrkept=71 nrkeptmult=153 
Total energy=-1.43263592977  Egs=-0.643120569631
Kept: 71 out of 134, ratio=0.53
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 7/19 (scale 0.00046408952076673528) ***** 
[1] xi(6)=1.00000220808 zeta(7)=0
Stats: nr=19 min=1 max=42 sum3=180161
Safeguard: keep additional 1 states
Emax=10.212359039 nrkept=35 nrkeptmult=64 
Total energy=-1.43310037593  Egs=-1.00076848134
Kept: 35 out of 263, ratio=0.133
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 8/19 (scale 0.00013397110487137952) ***** 
[1] xi(7)=1.00000018399 zeta(8)=0
Stats: nr=15 min=1 max=20 sum3=30066
Safeguard: keep additional 2 states
Emax=10.0279778256 nrkept=44 nrkeptmult=96 
Total energy=-1.43322415481  Egs=-0.923922205852
Kept: 44 out of 126, ratio=0.349
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 9/19 (scale 3.8674126730561276e-05) ***** 
[1] xi(8)=1.00000001533 zeta(9)=0
Stats: nr=19 min=1 max=27 sum3=45427
Emax=11.0453502973 nrkept=33 nrkeptmult=62 
Total energy=-1.43324654817  Egs=-0.579026732017
Kept: 33 out of 163, ratio=0.202
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 10/19 (scale 1.1164258739281626e-05) ***** 
[1] xi(9)=1.00000000128 zeta(10)=0
Stats: nr=15 min=1 max=19 sum3=25074
Emax=11.1911763821 nrkept=35 nrkeptmult=73 
Total energy=-1.43326358387  Egs=-1.52591429035
Kept: 35 out of 120, ratio=0.292
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 11/19 (scale 3.2228438942134397e-06) ***** 
[1] xi(10)=1.00000000011 zeta(11)=0
Stats: nr=18 min=1 max=23 sum3=26314
Emax=12.5763335293 nrkept=33 nrkeptmult=62 
Total energy=-1.4332646781  Egs=-0.339524154182
Kept: 33 out of 130, ratio=0.254
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 12/19 (scale 9.3035489494013572e-07) ***** 
[1] xi(11)=1.00000000001 zeta(12)=0
Stats: nr=15 min=1 max=19 sum3=25074
Safeguard: keep additional 1 states
Emax=10.5432080112 nrkept=12 nrkeptmult=20 
Total energy=-1.43326641797  Egs=-1.87011662915
Kept: 12 out of 120, ratio=0.1
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 13/19 (scale 2.6857032451778662e-07) ***** 
[1] xi(12)=1 zeta(13)=0
Stats: nr=10 min=1 max=10 sum3=1945
Emax=10.2525946291 nrkept=25 nrkeptmult=46 
Total energy=-1.43326649829  Egs=-0.299061982162
Kept: 25 out of 43, ratio=0.581
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 14/19 (scale 7.752957457834463e-08) ***** 
[1] xi(13)=1 zeta(14)=0
Stats: nr=15 min=1 max=14 sum3=10488
Safeguard: keep additional 1 states
Emax=11.8634966692 nrkept=12 nrkeptmult=20 
Total energy=-1.4332666469  Egs=-1.91681168513
Kept: 12 out of 90, ratio=0.133
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 15/19 (scale 2.2380860376482222e-08) ***** 
[1] xi(14)=1 zeta(15)=0
Stats: nr=10 min=1 max=10 sum3=1945
Emax=10.377335541 nrkept=25 nrkeptmult=46 
Total energy=-1.43326665351  Egs=-0.295232142408
Kept: 25 out of 43, ratio=0.581
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 16/19 (scale 6.4607978815287186e-09) ***** 
[1] xi(15)=1 zeta(16)=0
Stats: nr=15 min=1 max=14 sum3=10488
Safeguard: keep additional 1 states
Emax=11.988590536 nrkept=12 nrkeptmult=20 
Total energy=-1.43326666592  Egs=-1.9209126396
Kept: 12 out of 90, ratio=0.133
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 17/19 (scale 1.8650716980401851e-09) ***** 
[1] xi(16)=1 zeta(17)=0
Stats: nr=10 min=1 max=10 sum3=1945
Emax=10.3882925912 nrkept=25 nrkeptmult=46 
Total energy=-1.43326666647  Egs=-0.294908829824
Kept: 25 out of 43, ratio=0.581
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 18/19 (scale 5.3839982346072666e-10) ***** 
[1] xi(17)=1 zeta(18)=0
Stats: nr=15 min=1 max=14 sum3=10488
Safeguard: keep additional 1 states
Emax=11.9990915678 nrkept=12 nrkeptmult=20 
Total energy=-1.43326666751  Egs=-1.92125587008
Kept: 12 out of 90, ratio=0.133
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 19/19 (scale 1.5542264150334874e-10) ***** 
[1] xi(18)=1 zeta(19)=0
Stats: nr=10 min=1 max=10 sum3=1945
Safeguard: keep additional 2 states
Emax=10.3892188389 nrkept=43 nrkeptmult=80 
Total energy=-1.43326666755  Egs=-0.294881862824
Kept: 43 out of 43, ratio=1
Memory used: 4 MB  Time elapsed: 0 s

** Iteration completed.


Total energy:             -1.433266667551397
TKW=9.82018625557e-06
Grand canonical Z=               4.07405147001538
Zft (last shell)=               4.074053106098542
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=	0.6875
>>  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
0.0190871366209 
(-1 2) 2 states
0.00906027278906 0.0273141605287 
(0 1) 3 states
0 0.0190871366209 0.0363744333177 
(0 3) 1 states
0.0172872966969 
(1 2) 2 states
0.00906027278906 0.0273141605287 
(2 1) 1 states
0.0190871366209 
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 0.80194669188491863) ***** 
[1] xi(0)=0.725242162426 zeta(1)=0
Stats: nr=10 min=1 max=8 sum3=1055
Emax=2.90990882451 nrkept=35 nrkeptmult=64 
Kept: 35 out of 35, ratio=1
Memory used: 5 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 2/19 (scale 0.23150206921774383) ***** 
[1] xi(1)=1.16739212432 zeta(2)=0
Stats: nr=15 min=1 max=20 sum3=30066
Emax=11.0882217491 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 0.066828890990409881) ***** 
[1] xi(2)=1.05623776816 zeta(3)=0
Stats: nr=21 min=1 max=68 sum3=768322
Safeguard: keep additional 3 states
Emax=10.5823154798 nrkept=47 nrkeptmult=96 
Kept: 47 out of 430, ratio=0.109
Memory used: 5 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 4/19 (scale 0.01929183910147865) ***** 
[1] xi(3)=1.00433691683 zeta(4)=0
Stats: nr=19 min=1 max=25 sum3=60556
Safeguard: keep additional 1 states
Emax=10.5124168494 nrkept=88 nrkeptmult=180 
Kept: 88 out of 172, ratio=0.512
Memory used: 5 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 5/19 (scale 0.0055690742492008234) ***** 
[1] xi(4)=1.00032269183 zeta(5)=0
Stats: nr=21 min=1 max=51 sum3=323951
Safeguard: keep additional 1 states
Emax=12.13293301 nrkept=37 nrkeptmult=70 
Kept: 37 out of 323, ratio=0.115
Memory used: 5 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 6/19 (scale 0.0016076532584565542) ***** 
[1] xi(5)=1.00002652546 zeta(6)=0
Stats: nr=15 min=1 max=21 sum3=34502
Safeguard: keep additional 1 states
Emax=10.0106824271 nrkept=71 nrkeptmult=153 
Kept: 71 out of 134, ratio=0.53
Memory used: 5 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 7/19 (scale 0.00046408952076673528) ***** 
[1] xi(6)=1.00000220808 zeta(7)=0
Stats: nr=19 min=1 max=42 sum3=180161
Safeguard: keep additional 1 states
Emax=10.212359039 nrkept=35 nrkeptmult=64 
Kept: 35 out of 263, ratio=0.133
Memory used: 5 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 8/19 (scale 0.00013397110487137952) ***** 
[1] xi(7)=1.00000018399 zeta(8)=0
Stats: nr=15 min=1 max=20 sum3=30066
Safeguard: keep additional 2 states
Emax=10.0279778256 nrkept=44 nrkeptmult=96 
Kept: 44 out of 126, ratio=0.349
Memory used: 5 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 9/19 (scale 3.8674126730561276e-05) ***** 
[1] xi(8)=1.00000001533 zeta(9)=0
Stats: nr=19 min=1 max=27 sum3=45427
Emax=11.0453502973 nrkept=33 nrkeptmult=62 
Kept: 33 out of 163, ratio=0.202
Memory used: 5 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 10/19 (scale 1.1164258739281626e-05) ***** 
[1] xi(9)=1.00000000128 zeta(10)=0
Stats: nr=15 min=1 max=19 sum3=25074
Emax=11.1911763821 nrkept=35 nrkeptmult=73 
Kept: 35 out of 120, ratio=0.292
Memory used: 5 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 11/19 (scale 3.2228438942134397e-06) ***** 
[1] xi(10)=1.00000000011 zeta(11)=0
Stats: nr=18 min=1 max=23 sum3=26314
Emax=12.5763335293 nrkept=33 nrkeptmult=62 
Kept: 33 out of 130, ratio=0.254
Memory used: 5 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 12/19 (scale 9.3035489494013572e-07) ***** 
[1] xi(11)=1.00000000001 zeta(12)=0
Stats: nr=15 min=1 max=19 sum3=25074
Safeguard: keep additional 1 states
Emax=10.5432080112 nrkept=12 nrkeptmult=20 
Kept: 12 out of 120, ratio=0.1
Memory used: 5 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 13/19 (scale 2.6857032451778662e-07) ***** 
[1] xi(12)=1 zeta(13)=0
Stats: nr=10 min=1 max=10 sum3=1945
Emax=10.2525946291 nrkept=25 nrkeptmult=46 
Kept: 25 out of 43, ratio=0.581
Memory used: 5 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 14/19 (scale 7.752957457834463e-08) ***** 
[1] xi(13)=1 zeta(14)=0
Stats: nr=15 min=1 max=14 sum3=10488
Safeguard: keep additional 1 states
Emax=11.8634966692 nrkept=12 nrkeptmult=20 
Kept: 12 out of 90, ratio=0.133
Memory used: 5 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 15/19 (scale 2.2380860376482222e-08) ***** 
[1] xi(14)=1 zeta(15)=0
Stats: nr=10 min=1 max=10 sum3=1945
Emax=10.377335541 nrkept=25 nrkeptmult=46 
Kept: 25 out of 43, ratio=0.581
Memory used: 5 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 16/19 (scale 6.4607978815287186e-09) ***** 
[1] xi(15)=1 zeta(16)=0
Stats: nr=15 min=1 max=14 sum3=10488
Safeguard: keep additional 1 states
Emax=11.988590536 nrkept=12 nrkeptmult=20 
Kept: 12 out of 90, ratio=0.133
Memory used: 5 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 17/19 (scale 1.8650716980401851e-09) ***** 
[1] xi(16)=1 zeta(17)=0
Stats: nr=10 min=1 max=10 sum3=1945
Emax=10.3882925912 nrkept=25 nrkeptmult=46 
Kept: 25 out of 43, ratio=0.581
Memory used: 5 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 18/19 (scale 5.3839982346072666e-10) ***** 
[1] xi(17)=1 zeta(18)=0
Stats: nr=15 min=1 max=14 sum3=10488
Safeguard: keep additional 1 states
Emax=11.9990915678 nrkept=12 nrkeptmult=20 
Kept: 12 out of 90, ratio=0.133
Memory used: 5 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 19/19 (scale 1.5542264150334874e-10) ***** 
[1] xi(18)=1 zeta(19)=0
Stats: nr=10 min=1 max=10 sum3=1945
Safeguard: keep additional 2 states
Emax=10.3892188389 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=1.05384451166e-16 mu2=0.000668224849648 mu3=-1.51788304148e-18 mu4=0.000220282970124


Memory usage report
===================
  after diag: 6136 kB
after recalc: 6196 kB
 after split: 6136 kB
  after trim: 6196 kB
 after trunc: 6136 kB
      diag_h: 4696 kB

Peak usage: 6196 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
