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=20
TEMPERATURE T=1e-10
Nmax=20
Tmin=1e-10
Ninit=0
Lambda=12
strategy=kept
lastall=1
lastalloverride=0
z=0.1875
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=	0.1875
>>  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=0.1875
# keep=10000 keepenergy=10 Nmax=20 channels=1 dots=1 betabar=1

Number of invariant subspaces: 6
(-2 1) 1 states
0.00550998173306 
(-1 2) 2 states
0.00261547546685 0.00788491896696 
(0 1) 3 states
0 0.00550998173306 0.0105003944338 
(0 3) 1 states
0.00499041270075 
(1 2) 2 states
0.00261547546685 0.00788491896696 
(2 1) 1 states
0.00550998173306 
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 1/20 (scale 2.7780248306129258) ***** 
[1] xi(0)=0.220668400138 zeta(1)=0
Stats: nr=10 min=1 max=8 sum3=1055
Emax=0.88521473948 nrkept=35 nrkeptmult=64 
Total energy=-1.22707426335  Egs=-0.424420153081
Kept: 35 out of 35, ratio=1
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 2/20 (scale 0.80194669188491863) ***** 
[1] xi(1)=0.862799545563 zeta(2)=0
Stats: nr=15 min=1 max=20 sum3=30066
Emax=4.7060138697 nrkept=126 nrkeptmult=256 
Total energy=-1.88448612738  Egs=-0.81977003046
Kept: 126 out of 126, ratio=1
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 3/20 (scale 0.23150206921774383) ***** 
[1] xi(2)=1.49537882267 zeta(3)=0
Stats: nr=21 min=1 max=75 sum3=1007202
Safeguard: keep additional 5 states
Emax=10.2264995662 nrkept=206 nrkeptmult=464 
Total energy=-2.36745240107  Egs=-2.08622875517
Kept: 206 out of 462, ratio=0.446
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 4/20 (scale 0.066828890990409881) ***** 
[1] xi(3)=1.0940651254 zeta(4)=0
Stats: nr=26 min=1 max=95 sum3=3449832
Safeguard: keep additional 1 states
Emax=10.4244739227 nrkept=88 nrkeptmult=180 
Total energy=-2.39863201834  Egs=-0.466558950991
Kept: 88 out of 768, ratio=0.115
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 5/20 (scale 0.01929183910147865) ***** 
[1] xi(4)=1.0048154284 zeta(5)=0
Stats: nr=21 min=1 max=51 sum3=323951
Safeguard: keep additional 1 states
Emax=12.0401395284 nrkept=37 nrkeptmult=70 
Total energy=-2.42789654549  Egs=-1.51693817231
Kept: 37 out of 323, ratio=0.115
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 6/20 (scale 0.0055690742492008234) ***** 
[1] xi(5)=1.0003537089 zeta(6)=0
Stats: nr=15 min=1 max=21 sum3=34502
Safeguard: keep additional 1 states
Emax=10.8234387559 nrkept=88 nrkeptmult=180 
Total energy=-2.43108385012  Egs=-0.572322163856
Kept: 88 out of 134, ratio=0.657
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 7/20 (scale 0.0016076532584565542) ***** 
[1] xi(6)=1.0000292534 zeta(7)=0
Stats: nr=21 min=1 max=51 sum3=323951
Safeguard: keep additional 1 states
Emax=12.4049978104 nrkept=37 nrkeptmult=70 
Total energy=-2.43297742611  Egs=-1.17785099748
Kept: 37 out of 323, ratio=0.115
Memory used: 5 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 8/20 (scale 0.00046408952076673528) ***** 
[1] xi(7)=1.0000024364 zeta(8)=0
Stats: nr=15 min=1 max=21 sum3=34502
Safeguard: keep additional 1 states
Emax=10.9764633829 nrkept=46 nrkeptmult=100 
Total energy=-2.4333244672  Egs=-0.747789114578
Kept: 46 out of 134, ratio=0.343
Memory used: 5 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 9/20 (scale 0.00013397110487137952) ***** 
[1] xi(8)=1.00000020302 zeta(9)=0
Stats: nr=19 min=1 max=29 sum3=54903
Safeguard: keep additional 2 states
Emax=10.0478802148 nrkept=32 nrkeptmult=60 
Total energy=-2.43343062762  Egs=-0.792412792961
Kept: 32 out of 171, ratio=0.187
Memory used: 5 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 10/20 (scale 3.8674126730561276e-05) ***** 
[1] xi(9)=1.00000001692 zeta(10)=0
Stats: nr=15 min=1 max=18 sum3=21470
Emax=10.0849756233 nrkept=35 nrkeptmult=75 
Total energy=-2.43347707112  Egs=-1.20089325175
Kept: 35 out of 116, ratio=0.302
Memory used: 5 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 11/20 (scale 1.1164258739281626e-05) ***** 
[1] xi(10)=1.00000000141 zeta(11)=0
Stats: nr=18 min=1 max=23 sum3=26651
Emax=11.5693998258 nrkept=33 nrkeptmult=62 
Total energy=-2.43348175394  Egs=-0.419447669612
Kept: 33 out of 131, ratio=0.252
Memory used: 5 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 12/20 (scale 3.2228438942134397e-06) ***** 
[1] xi(11)=1.00000000012 zeta(12)=0
Stats: nr=15 min=1 max=19 sum3=25074
Safeguard: keep additional 1 states
Emax=10.0678394383 nrkept=21 nrkeptmult=45 
Total energy=-2.43348744128  Egs=-1.76469738305
Kept: 21 out of 120, ratio=0.175
Memory used: 5 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 13/20 (scale 9.3035489494013572e-07) ***** 
[1] xi(12)=1.00000000001 zeta(13)=0
Stats: nr=16 min=1 max=15 sum3=6870
Safeguard: keep additional 1 states
Emax=10.0237088516 nrkept=27 nrkeptmult=52 
Total energy=-2.43348772864  Egs=-0.308870579189
Kept: 27 out of 78, ratio=0.346
Memory used: 5 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 14/20 (scale 2.6857032451778662e-07) ***** 
[1] xi(13)=1 zeta(14)=0
Stats: nr=15 min=1 max=15 sum3=12812
Safeguard: keep additional 1 states
Emax=11.5396404524 nrkept=12 nrkeptmult=20 
Total energy=-2.43348824055  Egs=-1.90603648963
Kept: 12 out of 98, ratio=0.122
Memory used: 5 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 15/20 (scale 7.752957457834463e-08) ***** 
[1] xi(14)=1 zeta(15)=0
Stats: nr=10 min=1 max=10 sum3=1945
Emax=10.3485361886 nrkept=25 nrkeptmult=46 
Total energy=-2.4334882635  Egs=-0.296091566255
Kept: 25 out of 43, ratio=0.581
Memory used: 5 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 16/20 (scale 2.2380860376482222e-08) ***** 
[1] xi(15)=1 zeta(16)=0
Stats: nr=15 min=1 max=14 sum3=10488
Safeguard: keep additional 1 states
Emax=11.960626363 nrkept=12 nrkeptmult=20 
Total energy=-2.43348830647  Egs=-1.91999816346
Kept: 12 out of 90, ratio=0.133
Memory used: 5 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 17/20 (scale 6.4607978815287186e-09) ***** 
[1] xi(16)=1 zeta(17)=0
Stats: nr=10 min=1 max=10 sum3=1945
Emax=10.3858490014 nrkept=25 nrkeptmult=46 
Total energy=-2.43348830838  Egs=-0.294980761197
Kept: 25 out of 43, ratio=0.581
Memory used: 5 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 18/20 (scale 1.8650716980401851e-09) ***** 
[1] xi(17)=1 zeta(18)=0
Stats: nr=15 min=1 max=14 sum3=10488
Safeguard: keep additional 1 states
Emax=11.9967559998 nrkept=12 nrkeptmult=20 
Total energy=-2.43348831196  Egs=-1.92117955988
Kept: 12 out of 90, ratio=0.133
Memory used: 5 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 19/20 (scale 5.3839982346072666e-10) ***** 
[1] xi(18)=1 zeta(19)=0
Stats: nr=10 min=1 max=10 sum3=1945
Emax=10.3890056474 nrkept=25 nrkeptmult=46 
Total energy=-2.43348831212  Egs=-0.294887858082
Kept: 25 out of 43, ratio=0.581
Memory used: 5 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 20/20 (scale 1.5542264150334874e-10) ***** 
[1] xi(19)=1 zeta(20)=0
Stats: nr=15 min=1 max=14 sum3=10488
Safeguard: keep additional 1 states
Emax=11.9997723415 nrkept=90 nrkeptmult=184 
Total energy=-2.43348831242  Egs=-1.92127811926
Kept: 90 out of 90, ratio=1
Memory used: 5 MB  Time elapsed: 0 s

** Iteration completed.


Total energy:             -2.433488312420572
TKW=3.80606349329e-05
Grand canonical Z=              2.258567846124246
Zft (last shell)=                2.25856757245477
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=	0.1875
>>  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
0.00550998173306 
(-1 2) 2 states
0.00261547546685 0.00788491896696 
(0 1) 3 states
0 0.00550998173306 0.0105003944338 
(0 3) 1 states
0.00499041270075 
(1 2) 2 states
0.00261547546685 0.00788491896696 
(2 1) 1 states
0.00550998173306 
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 1/20 (scale 2.7780248306129258) ***** 
[1] xi(0)=0.220668400138 zeta(1)=0
Stats: nr=10 min=1 max=8 sum3=1055
Emax=0.88521473948 nrkept=35 nrkeptmult=64 
Kept: 35 out of 35, ratio=1
Memory used: 6 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 2/20 (scale 0.80194669188491863) ***** 
[1] xi(1)=0.862799545563 zeta(2)=0
Stats: nr=15 min=1 max=20 sum3=30066
Emax=4.7060138697 nrkept=126 nrkeptmult=256 
Kept: 126 out of 126, ratio=1
Memory used: 6 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 3/20 (scale 0.23150206921774383) ***** 
[1] xi(2)=1.49537882267 zeta(3)=0
Stats: nr=21 min=1 max=75 sum3=1007202
Safeguard: keep additional 5 states
Emax=10.2264995662 nrkept=206 nrkeptmult=464 
Kept: 206 out of 462, ratio=0.446
Memory used: 7 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 4/20 (scale 0.066828890990409881) ***** 
[1] xi(3)=1.0940651254 zeta(4)=0
Stats: nr=26 min=1 max=95 sum3=3449832
Safeguard: keep additional 1 states
Emax=10.4244739227 nrkept=88 nrkeptmult=180 
Kept: 88 out of 768, ratio=0.115
Memory used: 8 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 5/20 (scale 0.01929183910147865) ***** 
[1] xi(4)=1.0048154284 zeta(5)=0
Stats: nr=21 min=1 max=51 sum3=323951
Safeguard: keep additional 1 states
Emax=12.0401395284 nrkept=37 nrkeptmult=70 
Kept: 37 out of 323, ratio=0.115
Memory used: 8 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 6/20 (scale 0.0055690742492008234) ***** 
[1] xi(5)=1.0003537089 zeta(6)=0
Stats: nr=15 min=1 max=21 sum3=34502
Safeguard: keep additional 1 states
Emax=10.8234387559 nrkept=88 nrkeptmult=180 
Kept: 88 out of 134, ratio=0.657
Memory used: 8 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 7/20 (scale 0.0016076532584565542) ***** 
[1] xi(6)=1.0000292534 zeta(7)=0
Stats: nr=21 min=1 max=51 sum3=323951
Safeguard: keep additional 1 states
Emax=12.4049978104 nrkept=37 nrkeptmult=70 
Kept: 37 out of 323, ratio=0.115
Memory used: 8 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 8/20 (scale 0.00046408952076673528) ***** 
[1] xi(7)=1.0000024364 zeta(8)=0
Stats: nr=15 min=1 max=21 sum3=34502
Safeguard: keep additional 1 states
Emax=10.9764633829 nrkept=46 nrkeptmult=100 
Kept: 46 out of 134, ratio=0.343
Memory used: 8 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 9/20 (scale 0.00013397110487137952) ***** 
[1] xi(8)=1.00000020302 zeta(9)=0
Stats: nr=19 min=1 max=29 sum3=54903
Safeguard: keep additional 2 states
Emax=10.0478802148 nrkept=32 nrkeptmult=60 
Kept: 32 out of 171, ratio=0.187
Memory used: 8 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 10/20 (scale 3.8674126730561276e-05) ***** 
[1] xi(9)=1.00000001692 zeta(10)=0
Stats: nr=15 min=1 max=18 sum3=21470
Emax=10.0849756233 nrkept=35 nrkeptmult=75 
Kept: 35 out of 116, ratio=0.302
Memory used: 8 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 11/20 (scale 1.1164258739281626e-05) ***** 
[1] xi(10)=1.00000000141 zeta(11)=0
Stats: nr=18 min=1 max=23 sum3=26651
Emax=11.5693998258 nrkept=33 nrkeptmult=62 
Kept: 33 out of 131, ratio=0.252
Memory used: 8 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 12/20 (scale 3.2228438942134397e-06) ***** 
[1] xi(11)=1.00000000012 zeta(12)=0
Stats: nr=15 min=1 max=19 sum3=25074
Safeguard: keep additional 1 states
Emax=10.0678394383 nrkept=21 nrkeptmult=45 
Kept: 21 out of 120, ratio=0.175
Memory used: 8 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 13/20 (scale 9.3035489494013572e-07) ***** 
[1] xi(12)=1.00000000001 zeta(13)=0
Stats: nr=16 min=1 max=15 sum3=6870
Safeguard: keep additional 1 states
Emax=10.0237088516 nrkept=27 nrkeptmult=52 
Kept: 27 out of 78, ratio=0.346
Memory used: 8 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 14/20 (scale 2.6857032451778662e-07) ***** 
[1] xi(13)=1 zeta(14)=0
Stats: nr=15 min=1 max=15 sum3=12812
Safeguard: keep additional 1 states
Emax=11.5396404524 nrkept=12 nrkeptmult=20 
Kept: 12 out of 98, ratio=0.122
Memory used: 8 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 15/20 (scale 7.752957457834463e-08) ***** 
[1] xi(14)=1 zeta(15)=0
Stats: nr=10 min=1 max=10 sum3=1945
Emax=10.3485361886 nrkept=25 nrkeptmult=46 
Kept: 25 out of 43, ratio=0.581
Memory used: 8 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 16/20 (scale 2.2380860376482222e-08) ***** 
[1] xi(15)=1 zeta(16)=0
Stats: nr=15 min=1 max=14 sum3=10488
Safeguard: keep additional 1 states
Emax=11.960626363 nrkept=12 nrkeptmult=20 
Kept: 12 out of 90, ratio=0.133
Memory used: 8 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 17/20 (scale 6.4607978815287186e-09) ***** 
[1] xi(16)=1 zeta(17)=0
Stats: nr=10 min=1 max=10 sum3=1945
Emax=10.3858490014 nrkept=25 nrkeptmult=46 
Kept: 25 out of 43, ratio=0.581
Memory used: 8 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 18/20 (scale 1.8650716980401851e-09) ***** 
[1] xi(17)=1 zeta(18)=0
Stats: nr=15 min=1 max=14 sum3=10488
Safeguard: keep additional 1 states
Emax=11.9967559998 nrkept=12 nrkeptmult=20 
Kept: 12 out of 90, ratio=0.133
Memory used: 8 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 19/20 (scale 5.3839982346072666e-10) ***** 
[1] xi(18)=1 zeta(19)=0
Stats: nr=10 min=1 max=10 sum3=1945
Emax=10.3890056474 nrkept=25 nrkeptmult=46 
Kept: 25 out of 43, ratio=0.581
Memory used: 8 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 20/20 (scale 1.5542264150334874e-10) ***** 
[1] xi(19)=1 zeta(20)=0
Stats: nr=15 min=1 max=14 sum3=10488
Safeguard: keep additional 1 states
Emax=11.9997723415 nrkept=90 nrkeptmult=184 
Kept: 90 out of 90, ratio=1
Memory used: 8 MB  Time elapsed: 0 s

** Iteration completed.

Spectrum: A_d-A_d FDM
[A_d-A_d] pos=0.499999999999 neg=0.499999999999 sum= 0.999999999998
mu1=8.71698546678e-17 mu2=0.000667018687926 mu3=-3.03576608296e-18 mu4=0.000240447175147


Memory usage report
===================
  after diag: 9112 kB
after recalc: 9112 kB
 after split: 9112 kB
  after trim: 9112 kB
 after trunc: 9112 kB
      diag_h: 5208 kB

Peak usage: 9112 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
