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=18
TEMPERATURE T=1e-10
Nmax=18
Tmin=1e-10
Ninit=0
Lambda=12
strategy=kept
lastall=1
lastalloverride=0
z=0.9375
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=	0.9375
>>  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=0.9375
# keep=10000 keepenergy=10 Nmax=18 channels=1 dots=1 betabar=1

Number of invariant subspaces: 6
(-2 1) 1 states
0.0355251641714 
(-1 2) 2 states
0.0168630677646 0.0508373810206 
(0 1) 3 states
0 0.0355251641714 0.0677004487851 
(0 3) 1 states
0.0321752846137 
(1 2) 2 states
0.0168630677646 0.0508373810206 
(2 1) 1 states
0.0355251641714 
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 1/18 (scale 0.43087390101244599) ***** 
[1] xi(0)=0.939139213363 zeta(1)=0
Stats: nr=10 min=1 max=8 sum3=1055
Emax=3.7753681055 nrkept=35 nrkeptmult=64 
Total energy=-0.810853791688  Egs=-1.77042343576
Kept: 35 out of 35, ratio=1
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 2/18 (scale 0.12438258136815993) ***** 
[1] xi(1)=1.06058189098 zeta(2)=0
Stats: nr=15 min=1 max=20 sum3=30066
Safeguard: keep additional 1 states
Emax=10.281659986 nrkept=88 nrkeptmult=180 
Total energy=-0.865885385346  Egs=-0.442438105509
Kept: 88 out of 126, ratio=0.698
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 3/18 (scale 0.03590615841770383) ***** 
[1] xi(2)=1.00706776266 zeta(3)=0
Stats: nr=21 min=1 max=51 sum3=323951
Safeguard: keep additional 1 states
Emax=11.8761323313 nrkept=37 nrkeptmult=70 
Total energy=-0.923147427928  Egs=-1.59476939626
Kept: 37 out of 323, ratio=0.115
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 4/18 (scale 0.010365215114013327) ***** 
[1] xi(3)=1.0001676033 zeta(4)=0
Stats: nr=15 min=1 max=21 sum3=34502
Safeguard: keep additional 1 states
Emax=10.6192538204 nrkept=88 nrkeptmult=180 
Total energy=-0.92871386502  Egs=-0.53703054209
Kept: 88 out of 134, ratio=0.657
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 5/18 (scale 0.002992179868141986) ***** 
[1] xi(4)=1.00001000493 zeta(5)=0
Stats: nr=21 min=1 max=51 sum3=323951
Safeguard: keep additional 1 states
Emax=12.2354298651 nrkept=37 nrkeptmult=70 
Total energy=-0.932490748738  Egs=-1.26225156399
Kept: 37 out of 323, ratio=0.115
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 6/18 (scale 0.00086376792616777722) ***** 
[1] xi(5)=1.00000082339 zeta(6)=0
Stats: nr=15 min=1 max=21 sum3=34502
Safeguard: keep additional 1 states
Emax=10.4673681282 nrkept=52 nrkeptmult=108 
Total energy=-0.933085565417  Egs=-0.68863019842
Kept: 52 out of 134, ratio=0.388
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 7/18 (scale 0.00024934832234516552) ***** 
[1] xi(6)=1.00000006856 zeta(7)=0
Stats: nr=19 min=1 max=33 sum3=80963
Emax=10.5756086227 nrkept=33 nrkeptmult=62 
Total energy=-0.933310065731  Egs=-0.900348202989
Kept: 33 out of 191, ratio=0.173
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 8/18 (scale 7.198066051398144e-05) ***** 
[1] xi(7)=1.00000000571 zeta(8)=0
Stats: nr=15 min=1 max=19 sum3=25074
Emax=10.0558207526 nrkept=39 nrkeptmult=89 
Total energy=-0.933385649954  Egs=-1.05006293589
Kept: 39 out of 120, ratio=0.325
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 9/18 (scale 2.0779026862097127e-05) ***** 
[1] xi(8)=1.00000000048 zeta(9)=0
Stats: nr=19 min=1 max=24 sum3=31790
Emax=11.2279657822 nrkept=33 nrkeptmult=62 
Total energy=-0.933395810775  Egs=-0.488994077875
Kept: 33 out of 146, ratio=0.226
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 10/18 (scale 5.9983883761651191e-06) ***** 
[1] xi(9)=1.00000000004 zeta(10)=0
Stats: nr=15 min=1 max=19 sum3=25074
Safeguard: keep additional 2 states
Emax=10.0315300928 nrkept=25 nrkeptmult=51 
Total energy=-0.933405789358  Egs=-1.66354395495
Kept: 25 out of 120, ratio=0.208
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 11/18 (scale 1.731585571841427e-06) ***** 
[1] xi(10)=1 zeta(11)=0
Stats: nr=16 min=1 max=17 sum3=10513
Emax=13.0378163736 nrkept=33 nrkeptmult=62 
Total energy=-0.933406343701  Egs=-0.320136040044
Kept: 33 out of 91, ratio=0.363
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 12/18 (scale 4.9986569801376e-07) ***** 
[1] xi(11)=1 zeta(12)=0
Stats: nr=15 min=1 max=19 sum3=25074
Safeguard: keep additional 1 states
Emax=11.1671400662 nrkept=12 nrkeptmult=20 
Total energy=-0.933407290046  Egs=-1.89319856488
Kept: 12 out of 120, ratio=0.1
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 13/18 (scale 1.4429879765345227e-07) ***** 
[1] xi(12)=1 zeta(13)=0
Stats: nr=10 min=1 max=10 sum3=1945
Emax=10.314248998 nrkept=25 nrkeptmult=46 
Total energy=-0.933407332922  Egs=-0.297133646762
Kept: 25 out of 43, ratio=0.581
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 14/18 (scale 4.1655474834480002e-08) ***** 
[1] xi(13)=1 zeta(14)=0
Stats: nr=15 min=1 max=14 sum3=10488
Safeguard: keep additional 1 states
Emax=11.9266391171 nrkept=12 nrkeptmult=20 
Total energy=-0.933407412854  Egs=-1.91888417108
Kept: 12 out of 90, ratio=0.133
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 15/18 (scale 1.2024899804454356e-08) ***** 
[1] xi(14)=1 zeta(15)=0
Stats: nr=10 min=1 max=10 sum3=1945
Emax=10.3828742346 nrkept=25 nrkeptmult=46 
Total energy=-0.933407416402  Egs=-0.295068463703
Kept: 25 out of 43, ratio=0.581
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 16/18 (scale 3.4712895695399998e-09) ***** 
[1] xi(15)=1 zeta(16)=0
Stats: nr=15 min=1 max=14 sum3=10488
Safeguard: keep additional 1 states
Emax=11.9939084968 nrkept=12 nrkeptmult=20 
Total energy=-0.933407423071  Egs=-1.92108642486
Kept: 12 out of 90, ratio=0.133
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 17/18 (scale 1.0020749837045295e-09) ***** 
[1] xi(16)=1 zeta(17)=0
Stats: nr=10 min=1 max=10 sum3=1945
Emax=10.3887569656 nrkept=25 nrkeptmult=46 
Total energy=-0.933407423366  Egs=-0.294895171247
Kept: 25 out of 43, ratio=0.581
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 18/18 (scale 2.89274130795e-10) ***** 
[1] xi(17)=1 zeta(18)=0
Stats: nr=15 min=1 max=14 sum3=10488
Safeguard: keep additional 1 states
Emax=11.9995349993 nrkept=90 nrkeptmult=184 
Total energy=-0.933407423922  Egs=-1.92127035723
Kept: 90 out of 90, ratio=1
Memory used: 4 MB  Time elapsed: 0 s

** Iteration completed.


Total energy:            -0.9334074239222548
TKW=4.90810381607e-05
Grand canonical Z=              1.275576407516415
Zft (last shell)=               1.275576213770768
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=	0.9375
>>  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
0.0355251641714 
(-1 2) 2 states
0.0168630677646 0.0508373810206 
(0 1) 3 states
0 0.0355251641714 0.0677004487851 
(0 3) 1 states
0.0321752846137 
(1 2) 2 states
0.0168630677646 0.0508373810206 
(2 1) 1 states
0.0355251641714 
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 1/18 (scale 0.43087390101244599) ***** 
[1] xi(0)=0.939139213363 zeta(1)=0
Stats: nr=10 min=1 max=8 sum3=1055
Emax=3.7753681055 nrkept=35 nrkeptmult=64 
Kept: 35 out of 35, ratio=1
Memory used: 4 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 2/18 (scale 0.12438258136815993) ***** 
[1] xi(1)=1.06058189098 zeta(2)=0
Stats: nr=15 min=1 max=20 sum3=30066
Safeguard: keep additional 1 states
Emax=10.281659986 nrkept=88 nrkeptmult=180 
Kept: 88 out of 126, ratio=0.698
Memory used: 4 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 3/18 (scale 0.03590615841770383) ***** 
[1] xi(2)=1.00706776266 zeta(3)=0
Stats: nr=21 min=1 max=51 sum3=323951
Safeguard: keep additional 1 states
Emax=11.8761323313 nrkept=37 nrkeptmult=70 
Kept: 37 out of 323, ratio=0.115
Memory used: 4 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 4/18 (scale 0.010365215114013327) ***** 
[1] xi(3)=1.0001676033 zeta(4)=0
Stats: nr=15 min=1 max=21 sum3=34502
Safeguard: keep additional 1 states
Emax=10.6192538204 nrkept=88 nrkeptmult=180 
Kept: 88 out of 134, ratio=0.657
Memory used: 4 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 5/18 (scale 0.002992179868141986) ***** 
[1] xi(4)=1.00001000493 zeta(5)=0
Stats: nr=21 min=1 max=51 sum3=323951
Safeguard: keep additional 1 states
Emax=12.2354298651 nrkept=37 nrkeptmult=70 
Kept: 37 out of 323, ratio=0.115
Memory used: 5 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 6/18 (scale 0.00086376792616777722) ***** 
[1] xi(5)=1.00000082339 zeta(6)=0
Stats: nr=15 min=1 max=21 sum3=34502
Safeguard: keep additional 1 states
Emax=10.4673681282 nrkept=52 nrkeptmult=108 
Kept: 52 out of 134, ratio=0.388
Memory used: 5 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 7/18 (scale 0.00024934832234516552) ***** 
[1] xi(6)=1.00000006856 zeta(7)=0
Stats: nr=19 min=1 max=33 sum3=80963
Emax=10.5756086227 nrkept=33 nrkeptmult=62 
Kept: 33 out of 191, ratio=0.173
Memory used: 5 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 8/18 (scale 7.198066051398144e-05) ***** 
[1] xi(7)=1.00000000571 zeta(8)=0
Stats: nr=15 min=1 max=19 sum3=25074
Emax=10.0558207526 nrkept=39 nrkeptmult=89 
Kept: 39 out of 120, ratio=0.325
Memory used: 5 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 9/18 (scale 2.0779026862097127e-05) ***** 
[1] xi(8)=1.00000000048 zeta(9)=0
Stats: nr=19 min=1 max=24 sum3=31790
Emax=11.2279657822 nrkept=33 nrkeptmult=62 
Kept: 33 out of 146, ratio=0.226
Memory used: 5 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 10/18 (scale 5.9983883761651191e-06) ***** 
[1] xi(9)=1.00000000004 zeta(10)=0
Stats: nr=15 min=1 max=19 sum3=25074
Safeguard: keep additional 2 states
Emax=10.0315300928 nrkept=25 nrkeptmult=51 
Kept: 25 out of 120, ratio=0.208
Memory used: 5 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 11/18 (scale 1.731585571841427e-06) ***** 
[1] xi(10)=1 zeta(11)=0
Stats: nr=16 min=1 max=17 sum3=10513
Emax=13.0378163736 nrkept=33 nrkeptmult=62 
Kept: 33 out of 91, ratio=0.363
Memory used: 5 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 12/18 (scale 4.9986569801376e-07) ***** 
[1] xi(11)=1 zeta(12)=0
Stats: nr=15 min=1 max=19 sum3=25074
Safeguard: keep additional 1 states
Emax=11.1671400662 nrkept=12 nrkeptmult=20 
Kept: 12 out of 120, ratio=0.1
Memory used: 5 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 13/18 (scale 1.4429879765345227e-07) ***** 
[1] xi(12)=1 zeta(13)=0
Stats: nr=10 min=1 max=10 sum3=1945
Emax=10.314248998 nrkept=25 nrkeptmult=46 
Kept: 25 out of 43, ratio=0.581
Memory used: 5 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 14/18 (scale 4.1655474834480002e-08) ***** 
[1] xi(13)=1 zeta(14)=0
Stats: nr=15 min=1 max=14 sum3=10488
Safeguard: keep additional 1 states
Emax=11.9266391171 nrkept=12 nrkeptmult=20 
Kept: 12 out of 90, ratio=0.133
Memory used: 5 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 15/18 (scale 1.2024899804454356e-08) ***** 
[1] xi(14)=1 zeta(15)=0
Stats: nr=10 min=1 max=10 sum3=1945
Emax=10.3828742346 nrkept=25 nrkeptmult=46 
Kept: 25 out of 43, ratio=0.581
Memory used: 5 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 16/18 (scale 3.4712895695399998e-09) ***** 
[1] xi(15)=1 zeta(16)=0
Stats: nr=15 min=1 max=14 sum3=10488
Safeguard: keep additional 1 states
Emax=11.9939084968 nrkept=12 nrkeptmult=20 
Kept: 12 out of 90, ratio=0.133
Memory used: 5 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 17/18 (scale 1.0020749837045295e-09) ***** 
[1] xi(16)=1 zeta(17)=0
Stats: nr=10 min=1 max=10 sum3=1945
Emax=10.3887569656 nrkept=25 nrkeptmult=46 
Kept: 25 out of 43, ratio=0.581
Memory used: 5 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 18/18 (scale 2.89274130795e-10) ***** 
[1] xi(17)=1 zeta(18)=0
Stats: nr=15 min=1 max=14 sum3=10488
Safeguard: keep additional 1 states
Emax=11.9995349993 nrkept=90 nrkeptmult=184 
Kept: 90 out of 90, ratio=1
Memory used: 5 MB  Time elapsed: 0 s

** Iteration completed.

Spectrum: A_d-A_d FDM
[A_d-A_d] pos=0.499999999999 neg=0.499999999999 sum= 0.999999999999
mu1=9.93129189997e-17 mu2=0.000670518924181 mu3=-2.14129929066e-18 mu4=0.000107409339038


Memory usage report
===================
  after diag: 5484 kB
after recalc: 5528 kB
 after split: 5484 kB
  after trim: 5528 kB
 after trunc: 5484 kB
      diag_h: 4560 kB

Peak usage: 5528 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
