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=1
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=	1.
>>  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=1
# keep=10000 keepenergy=10 Nmax=18 channels=1 dots=1 betabar=1

Number of invariant subspaces: 6
(-2 1) 1 states
0.0414939635852 
(-1 2) 2 states
0.0196963345864 0.0593788793389 
(0 1) 3 states
0 0.0414939635852 0.0790752139253 
(0 3) 1 states
0.0375812503402 
(1 2) 2 states
0.0196963345864 0.0593788793389 
(2 1) 1 states
0.0414939635852 
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 0.36889380401669092) ***** 
[1] xi(0)=0.957704261361 zeta(1)=0
Stats: nr=10 min=1 max=8 sum3=1055
Emax=3.85399291666 nrkept=35 nrkeptmult=64 
Total energy=-0.708357053841  Egs=-1.79003417019
Kept: 35 out of 35, ratio=1
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 2/18 (scale 0.10649046852571079) ***** 
[1] xi(1)=0.993345018812 zeta(2)=0
Stats: nr=15 min=1 max=20 sum3=30066
Safeguard: keep additional 1 states
Emax=10.4116216907 nrkept=88 nrkeptmult=180 
Total energy=-0.75131364169  Egs=-0.403384344569
Kept: 88 out of 126, ratio=0.698
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 3/18 (scale 0.030741150334724243) ***** 
[1] xi(2)=0.999423318473 zeta(3)=0
Stats: nr=21 min=1 max=51 sum3=323951
Safeguard: keep additional 1 states
Emax=12.0253851387 nrkept=37 nrkeptmult=70 
Total energy=-0.799722875749  Egs=-1.57473723437
Kept: 37 out of 323, ratio=0.115
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 4/18 (scale 0.0088742057104758982) ***** 
[1] xi(3)=0.999951788742 zeta(4)=0
Stats: nr=15 min=1 max=21 sum3=34502
Safeguard: keep additional 1 states
Emax=10.6583550906 nrkept=88 nrkeptmult=180 
Total energy=-0.804567694356  Egs=-0.545943914846
Kept: 88 out of 134, ratio=0.657
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 5/18 (scale 0.0025617625278936866) ***** 
[1] xi(4)=0.999995981322 zeta(5)=0
Stats: nr=21 min=1 max=51 sum3=323951
Safeguard: keep additional 1 states
Emax=12.2703965301 nrkept=37 nrkeptmult=70 
Total energy=-0.807746962787  Egs=-1.24104728518
Kept: 37 out of 323, ratio=0.115
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 6/18 (scale 0.00073951714253965811) ***** 
[1] xi(5)=0.999999665103 zeta(6)=0
Stats: nr=15 min=1 max=21 sum3=34502
Safeguard: keep additional 1 states
Emax=10.6200967961 nrkept=52 nrkeptmult=108 
Total energy=-0.80826616166  Egs=-0.702078212462
Kept: 52 out of 134, ratio=0.388
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 7/18 (scale 0.00021348021065780722) ***** 
[1] xi(6)=0.999999972092 zeta(7)=0
Stats: nr=19 min=1 max=33 sum3=80963
Emax=10.6828320852 nrkept=33 nrkeptmult=62 
Total energy=-0.808452685489  Egs=-0.873728896363
Kept: 33 out of 191, ratio=0.173
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 8/18 (scale 6.1626428544971518e-05) ***** 
[1] xi(7)=0.999999997674 zeta(8)=0
Stats: nr=15 min=1 max=19 sum3=25074
Emax=10.1148890841 nrkept=39 nrkeptmult=89 
Total energy=-0.808519610286  Egs=-1.08597559577
Kept: 39 out of 120, ratio=0.325
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 9/18 (scale 1.7790017554817271e-05) ***** 
[1] xi(8)=0.999999999806 zeta(9)=0
Stats: nr=19 min=1 max=24 sum3=31790
Emax=11.2981572705 nrkept=33 nrkeptmult=62 
Total energy=-0.808527961413  Egs=-0.469427687163
Kept: 33 out of 146, ratio=0.226
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 10/18 (scale 5.1355357120809596e-06) ***** 
[1] xi(9)=0.999999999984 zeta(10)=0
Stats: nr=15 min=1 max=19 sum3=25074
Safeguard: keep additional 2 states
Emax=10.23264471 nrkept=25 nrkeptmult=51 
Total energy=-0.808536654005  Egs=-1.692635837
Kept: 25 out of 120, ratio=0.208
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 11/18 (scale 1.4825014629014394e-06) ***** 
[1] xi(10)=0.999999999999 zeta(11)=0
Stats: nr=16 min=1 max=17 sum3=10513
Safeguard: keep additional 1 states
Emax=10.0321357772 nrkept=32 nrkeptmult=60 
Total energy=-0.80853712348  Egs=-0.316677565472
Kept: 32 out of 91, ratio=0.352
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 12/18 (scale 4.2796130934007998e-07) ***** 
[1] xi(11)=1 zeta(12)=0
Stats: nr=15 min=1 max=18 sum3=21470
Safeguard: keep additional 1 states
Emax=11.2811520616 nrkept=12 nrkeptmult=20 
Total energy=-0.808537935404  Egs=-1.89718941111
Kept: 12 out of 116, ratio=0.103
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 13/18 (scale 1.2354178857511992e-07) ***** 
[1] xi(12)=1 zeta(13)=0
Stats: nr=10 min=1 max=10 sum3=1945
Emax=10.3249045189 nrkept=25 nrkeptmult=46 
Total energy=-0.808537972072  Egs=-0.296807539405
Kept: 25 out of 43, ratio=0.581
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 14/18 (scale 3.5663442445006661e-08) ***** 
[1] xi(13)=1 zeta(14)=0
Stats: nr=15 min=1 max=14 sum3=10488
Safeguard: keep additional 1 states
Emax=11.9372843501 nrkept=12 nrkeptmult=20 
Total energy=-0.808538040518  Egs=-1.91923336483
Kept: 12 out of 90, ratio=0.133
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 15/18 (scale 1.0295149047926661e-08) ***** 
[1] xi(14)=1 zeta(15)=0
Stats: nr=10 min=1 max=10 sum3=1945
Emax=10.3838065424 nrkept=25 nrkeptmult=46 
Total energy=-0.808538043556  Egs=-0.295040961331
Kept: 25 out of 43, ratio=0.581
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 16/18 (scale 2.9719535370838888e-09) ***** 
[1] xi(15)=1 zeta(16)=0
Stats: nr=15 min=1 max=14 sum3=10488
Safeguard: keep additional 1 states
Emax=11.9948014465 nrkept=12 nrkeptmult=20 
Total energy=-0.808538049265  Egs=-1.92111563991
Kept: 12 out of 90, ratio=0.133
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 17/18 (scale 8.5792908732722179e-10) ***** 
[1] xi(16)=1 zeta(17)=0
Stats: nr=10 min=1 max=10 sum3=1945
Emax=10.3888349586 nrkept=25 nrkeptmult=46 
Total energy=-0.808538049518  Egs=-0.294892877527
Kept: 25 out of 43, ratio=0.581
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 18/18 (scale 2.4766279475699072e-10) ***** 
[1] xi(17)=1 zeta(18)=0
Stats: nr=15 min=1 max=14 sum3=10488
Safeguard: keep additional 1 states
Emax=11.9996094344 nrkept=90 nrkeptmult=184 
Total energy=-0.808538049994  Egs=-1.92127279221
Kept: 90 out of 90, ratio=1
Memory used: 4 MB  Time elapsed: 0 s

** Iteration completed.


Total energy:            -0.8085380499940095
TKW=4.75134031565e-05
Grand canonical Z=              1.429457446073497
Zft (last shell)=                1.42945769335848
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=	1.
>>  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
0.0414939635852 
(-1 2) 2 states
0.0196963345864 0.0593788793389 
(0 1) 3 states
0 0.0414939635852 0.0790752139253 
(0 3) 1 states
0.0375812503402 
(1 2) 2 states
0.0196963345864 0.0593788793389 
(2 1) 1 states
0.0414939635852 
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 0.36889380401669092) ***** 
[1] xi(0)=0.957704261361 zeta(1)=0
Stats: nr=10 min=1 max=8 sum3=1055
Emax=3.85399291666 nrkept=35 nrkeptmult=64 
Kept: 35 out of 35, ratio=1
Memory used: 4 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 2/18 (scale 0.10649046852571079) ***** 
[1] xi(1)=0.993345018812 zeta(2)=0
Stats: nr=15 min=1 max=20 sum3=30066
Safeguard: keep additional 1 states
Emax=10.4116216907 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 0.030741150334724243) ***** 
[1] xi(2)=0.999423318473 zeta(3)=0
Stats: nr=21 min=1 max=51 sum3=323951
Safeguard: keep additional 1 states
Emax=12.0253851387 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 0.0088742057104758982) ***** 
[1] xi(3)=0.999951788742 zeta(4)=0
Stats: nr=15 min=1 max=21 sum3=34502
Safeguard: keep additional 1 states
Emax=10.6583550906 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 0.0025617625278936866) ***** 
[1] xi(4)=0.999995981322 zeta(5)=0
Stats: nr=21 min=1 max=51 sum3=323951
Safeguard: keep additional 1 states
Emax=12.2703965301 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 0.00073951714253965811) ***** 
[1] xi(5)=0.999999665103 zeta(6)=0
Stats: nr=15 min=1 max=21 sum3=34502
Safeguard: keep additional 1 states
Emax=10.6200967961 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 0.00021348021065780722) ***** 
[1] xi(6)=0.999999972092 zeta(7)=0
Stats: nr=19 min=1 max=33 sum3=80963
Emax=10.6828320852 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 6.1626428544971518e-05) ***** 
[1] xi(7)=0.999999997674 zeta(8)=0
Stats: nr=15 min=1 max=19 sum3=25074
Emax=10.1148890841 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 1.7790017554817271e-05) ***** 
[1] xi(8)=0.999999999806 zeta(9)=0
Stats: nr=19 min=1 max=24 sum3=31790
Emax=11.2981572705 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 5.1355357120809596e-06) ***** 
[1] xi(9)=0.999999999984 zeta(10)=0
Stats: nr=15 min=1 max=19 sum3=25074
Safeguard: keep additional 2 states
Emax=10.23264471 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 1.4825014629014394e-06) ***** 
[1] xi(10)=0.999999999999 zeta(11)=0
Stats: nr=16 min=1 max=17 sum3=10513
Safeguard: keep additional 1 states
Emax=10.0321357772 nrkept=32 nrkeptmult=60 
Kept: 32 out of 91, ratio=0.352
Memory used: 5 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 12/18 (scale 4.2796130934007998e-07) ***** 
[1] xi(11)=1 zeta(12)=0
Stats: nr=15 min=1 max=18 sum3=21470
Safeguard: keep additional 1 states
Emax=11.2811520616 nrkept=12 nrkeptmult=20 
Kept: 12 out of 116, ratio=0.103
Memory used: 5 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 13/18 (scale 1.2354178857511992e-07) ***** 
[1] xi(12)=1 zeta(13)=0
Stats: nr=10 min=1 max=10 sum3=1945
Emax=10.3249045189 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 3.5663442445006661e-08) ***** 
[1] xi(13)=1 zeta(14)=0
Stats: nr=15 min=1 max=14 sum3=10488
Safeguard: keep additional 1 states
Emax=11.9372843501 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 1.0295149047926661e-08) ***** 
[1] xi(14)=1 zeta(15)=0
Stats: nr=10 min=1 max=10 sum3=1945
Emax=10.3838065424 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 2.9719535370838888e-09) ***** 
[1] xi(15)=1 zeta(16)=0
Stats: nr=15 min=1 max=14 sum3=10488
Safeguard: keep additional 1 states
Emax=11.9948014465 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 8.5792908732722179e-10) ***** 
[1] xi(16)=1 zeta(17)=0
Stats: nr=10 min=1 max=10 sum3=1945
Emax=10.3888349586 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 2.4766279475699072e-10) ***** 
[1] xi(17)=1 zeta(18)=0
Stats: nr=15 min=1 max=14 sum3=10488
Safeguard: keep additional 1 states
Emax=11.9996094344 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=0.500000000001 neg=0.500000000001 sum= 1
mu1=-2.86229373536e-17 mu2=0.000670122868942 mu3=-7.86046575052e-19 mu4=8.19451270962e-05


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
