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=0.5625
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=	0.5625
>>  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=0.5625
# keep=10000 keepenergy=10 Nmax=19 channels=1 dots=1 betabar=1

Number of invariant subspaces: 6
(-2 1) 1 states
0.0139908186197 
(-1 2) 2 states
0.00664115502259 0.0200212045052 
(0 1) 3 states
0 0.0139908186197 0.0266623595278 
(0 3) 1 states
0.0126715409081 
(1 2) 2 states
0.00664115502259 0.0200212045052 
(2 1) 1 states
0.0139908186197 
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 1.0940650784462644) ***** 
[1] xi(0)=0.588582075838 zeta(1)=0
Stats: nr=10 min=1 max=8 sum3=1055
Emax=2.36069107342 nrkept=35 nrkeptmult=64 
Total energy=-1.28887483221  Egs=-1.13416497536
Kept: 35 out of 35, ratio=1
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 2/19 (scale 0.31582938377595993) ***** 
[1] xi(1)=1.14675223551 zeta(2)=0
Stats: nr=15 min=1 max=20 sum3=30066
Emax=9.51860655539 nrkept=126 nrkeptmult=256 
Total energy=-1.5006278214  Egs=-0.670466397558
Kept: 126 out of 126, ratio=1
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 3/19 (scale 0.091172089870522041) ***** 
[1] xi(2)=1.09985063298 zeta(3)=0
Stats: nr=21 min=1 max=75 sum3=1007202
Safeguard: keep additional 1 states
Emax=10.0567667823 nrkept=73 nrkeptmult=154 
Total energy=-1.65768491611  Egs=-1.72264445113
Kept: 73 out of 462, ratio=0.158
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 4/19 (scale 0.026319115314663327) ***** 
[1] xi(3)=1.00953055966 zeta(4)=0
Stats: nr=23 min=1 max=37 sum3=193906
Safeguard: keep additional 1 states
Emax=10.4795757879 nrkept=88 nrkeptmult=180 
Total energy=-1.67048506791  Egs=-0.486344303235
Kept: 88 out of 268, ratio=0.328
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 5/19 (scale 0.0075976741558768371) ***** 
[1] xi(4)=1.00069137168 zeta(5)=0
Stats: nr=21 min=1 max=51 sum3=323951
Safeguard: keep additional 1 states
Emax=12.0990077606 nrkept=37 nrkeptmult=70 
Total energy=-1.68104881337  Egs=-1.39039201304
Kept: 37 out of 323, ratio=0.115
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 6/19 (scale 0.0021932596095552773) ***** 
[1] xi(5)=1.00005642311 zeta(6)=0
Stats: nr=15 min=1 max=21 sum3=34502
Safeguard: keep additional 3 states
Emax=10.0428137654 nrkept=83 nrkeptmult=173 
Total energy=-1.682417338  Egs=-0.623968369738
Kept: 83 out of 134, ratio=0.619
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 7/19 (scale 0.00063313951298973642) ***** 
[1] xi(6)=1.00000469434 zeta(7)=0
Stats: nr=21 min=1 max=48 sum3=267870
Safeguard: keep additional 1 states
Emax=12.8431403471 nrkept=37 nrkeptmult=70 
Total energy=-1.68308053624  Egs=-1.04747568856
Kept: 37 out of 306, ratio=0.121
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 8/19 (scale 0.00018277163412960641) ***** 
[1] xi(7)=1.00000039114 zeta(8)=0
Stats: nr=15 min=1 max=21 sum3=34502
Safeguard: keep additional 1 states
Emax=11.5582966048 nrkept=46 nrkeptmult=100 
Total energy=-1.68323974347  Egs=-0.871071824965
Kept: 46 out of 134, ratio=0.343
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 9/19 (scale 5.2761626082478035e-05) ***** 
[1] xi(8)=1.00000003259 zeta(9)=0
Stats: nr=19 min=1 max=29 sum3=54903
Emax=10.9978908554 nrkept=33 nrkeptmult=62 
Total energy=-1.68327297245  Egs=-0.629794568219
Kept: 33 out of 171, ratio=0.193
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 10/19 (scale 1.5230969510800536e-05) ***** 
[1] xi(9)=1.00000000272 zeta(10)=0
Stats: nr=15 min=1 max=19 sum3=25074
Emax=10.9225635561 nrkept=35 nrkeptmult=73 
Total energy=-1.68329501428  Egs=-1.44717200586
Kept: 35 out of 120, ratio=0.292
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 11/19 (scale 4.3968021735398363e-06) ***** 
[1] xi(10)=1.00000000023 zeta(11)=0
Stats: nr=18 min=1 max=23 sum3=26314
Emax=12.314069083 nrkept=33 nrkeptmult=62 
Total energy=-1.6832965685  Egs=-0.353487102386
Kept: 33 out of 130, ratio=0.254
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 12/19 (scale 1.2692474592333781e-06) ***** 
[1] xi(11)=1.00000000002 zeta(12)=0
Stats: nr=15 min=1 max=19 sum3=25074
Safeguard: keep additional 1 states
Emax=10.118814017 nrkept=12 nrkeptmult=20 
Total energy=-1.68329892017  Egs=-1.85280776324
Kept: 12 out of 120, ratio=0.1
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 13/19 (scale 3.6640018112831969e-07) ***** 
[1] xi(12)=1 zeta(13)=0
Stats: nr=10 min=1 max=10 sum3=1945
Emax=10.2063859197 nrkept=25 nrkeptmult=46 
Total energy=-1.68329903029  Egs=-0.300556182773
Kept: 25 out of 43, ratio=0.581
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 14/19 (scale 1.057706216027815e-07) ***** 
[1] xi(13)=1 zeta(14)=0
Stats: nr=15 min=1 max=14 sum3=10488
Safeguard: keep additional 1 states
Emax=11.8143766566 nrkept=12 nrkeptmult=20 
Total energy=-1.68329923286  Egs=-1.91519608412
Kept: 12 out of 90, ratio=0.133
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 15/19 (scale 3.053334842735997e-08) ***** 
[1] xi(14)=1 zeta(15)=0
Stats: nr=10 min=1 max=10 sum3=1945
Emax=10.3730140654 nrkept=25 nrkeptmult=46 
Total energy=-1.68329924188  Egs=-0.295360200171
Kept: 25 out of 43, ratio=0.581
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 16/19 (scale 8.8142184668984575e-09) ***** 
[1] xi(15)=1 zeta(16)=0
Stats: nr=15 min=1 max=14 sum3=10488
Safeguard: keep additional 1 states
Emax=11.9844266786 nrkept=12 nrkeptmult=20 
Total energy=-1.68329925881  Egs=-1.92077669859
Kept: 12 out of 90, ratio=0.133
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 17/19 (scale 2.5444457022799977e-09) ***** 
[1] xi(16)=1 zeta(17)=0
Stats: nr=10 min=1 max=10 sum3=1945
Emax=10.3879290415 nrkept=25 nrkeptmult=46 
Total energy=-1.68329925956  Egs=-0.29491952504
Kept: 25 out of 43, ratio=0.581
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 18/19 (scale 7.3451820557487153e-10) ***** 
[1] xi(17)=1 zeta(18)=0
Stats: nr=15 min=1 max=14 sum3=10488
Safeguard: keep additional 1 states
Emax=11.9987442092 nrkept=12 nrkeptmult=20 
Total energy=-1.68329926097  Egs=-1.92124453445
Kept: 12 out of 90, ratio=0.133
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 19/19 (scale 2.120371418566665e-10) ***** 
[1] xi(18)=1 zeta(19)=0
Stats: nr=10 min=1 max=10 sum3=1945
Emax=10.389179231 nrkept=43 nrkeptmult=80 
Total energy=-1.68329926104  Egs=-0.294882754077
Kept: 43 out of 43, ratio=1
Memory used: 4 MB  Time elapsed: 0 s

** Iteration completed.


Total energy:             -1.683299261036261
TKW=1.19628693099e-05
Grand canonical Z=              4.010354803264338
Zft (last shell)=               4.010358408394885
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=	0.5625
>>  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
0.0139908186197 
(-1 2) 2 states
0.00664115502259 0.0200212045052 
(0 1) 3 states
0 0.0139908186197 0.0266623595278 
(0 3) 1 states
0.0126715409081 
(1 2) 2 states
0.00664115502259 0.0200212045052 
(2 1) 1 states
0.0139908186197 
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 1.0940650784462644) ***** 
[1] xi(0)=0.588582075838 zeta(1)=0
Stats: nr=10 min=1 max=8 sum3=1055
Emax=2.36069107342 nrkept=35 nrkeptmult=64 
Kept: 35 out of 35, ratio=1
Memory used: 5 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 2/19 (scale 0.31582938377595993) ***** 
[1] xi(1)=1.14675223551 zeta(2)=0
Stats: nr=15 min=1 max=20 sum3=30066
Emax=9.51860655539 nrkept=126 nrkeptmult=256 
Kept: 126 out of 126, ratio=1
Memory used: 5 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 3/19 (scale 0.091172089870522041) ***** 
[1] xi(2)=1.09985063298 zeta(3)=0
Stats: nr=21 min=1 max=75 sum3=1007202
Safeguard: keep additional 1 states
Emax=10.0567667823 nrkept=73 nrkeptmult=154 
Kept: 73 out of 462, ratio=0.158
Memory used: 6 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 4/19 (scale 0.026319115314663327) ***** 
[1] xi(3)=1.00953055966 zeta(4)=0
Stats: nr=23 min=1 max=37 sum3=193906
Safeguard: keep additional 1 states
Emax=10.4795757879 nrkept=88 nrkeptmult=180 
Kept: 88 out of 268, ratio=0.328
Memory used: 6 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 5/19 (scale 0.0075976741558768371) ***** 
[1] xi(4)=1.00069137168 zeta(5)=0
Stats: nr=21 min=1 max=51 sum3=323951
Safeguard: keep additional 1 states
Emax=12.0990077606 nrkept=37 nrkeptmult=70 
Kept: 37 out of 323, ratio=0.115
Memory used: 6 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 6/19 (scale 0.0021932596095552773) ***** 
[1] xi(5)=1.00005642311 zeta(6)=0
Stats: nr=15 min=1 max=21 sum3=34502
Safeguard: keep additional 3 states
Emax=10.0428137654 nrkept=83 nrkeptmult=173 
Kept: 83 out of 134, ratio=0.619
Memory used: 6 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 7/19 (scale 0.00063313951298973642) ***** 
[1] xi(6)=1.00000469434 zeta(7)=0
Stats: nr=21 min=1 max=48 sum3=267870
Safeguard: keep additional 1 states
Emax=12.8431403471 nrkept=37 nrkeptmult=70 
Kept: 37 out of 306, ratio=0.121
Memory used: 6 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 8/19 (scale 0.00018277163412960641) ***** 
[1] xi(7)=1.00000039114 zeta(8)=0
Stats: nr=15 min=1 max=21 sum3=34502
Safeguard: keep additional 1 states
Emax=11.5582966048 nrkept=46 nrkeptmult=100 
Kept: 46 out of 134, ratio=0.343
Memory used: 6 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 9/19 (scale 5.2761626082478035e-05) ***** 
[1] xi(8)=1.00000003259 zeta(9)=0
Stats: nr=19 min=1 max=29 sum3=54903
Emax=10.9978908554 nrkept=33 nrkeptmult=62 
Kept: 33 out of 171, ratio=0.193
Memory used: 6 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 10/19 (scale 1.5230969510800536e-05) ***** 
[1] xi(9)=1.00000000272 zeta(10)=0
Stats: nr=15 min=1 max=19 sum3=25074
Emax=10.9225635561 nrkept=35 nrkeptmult=73 
Kept: 35 out of 120, ratio=0.292
Memory used: 6 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 11/19 (scale 4.3968021735398363e-06) ***** 
[1] xi(10)=1.00000000023 zeta(11)=0
Stats: nr=18 min=1 max=23 sum3=26314
Emax=12.314069083 nrkept=33 nrkeptmult=62 
Kept: 33 out of 130, ratio=0.254
Memory used: 6 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 12/19 (scale 1.2692474592333781e-06) ***** 
[1] xi(11)=1.00000000002 zeta(12)=0
Stats: nr=15 min=1 max=19 sum3=25074
Safeguard: keep additional 1 states
Emax=10.118814017 nrkept=12 nrkeptmult=20 
Kept: 12 out of 120, ratio=0.1
Memory used: 6 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 13/19 (scale 3.6640018112831969e-07) ***** 
[1] xi(12)=1 zeta(13)=0
Stats: nr=10 min=1 max=10 sum3=1945
Emax=10.2063859197 nrkept=25 nrkeptmult=46 
Kept: 25 out of 43, ratio=0.581
Memory used: 6 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 14/19 (scale 1.057706216027815e-07) ***** 
[1] xi(13)=1 zeta(14)=0
Stats: nr=15 min=1 max=14 sum3=10488
Safeguard: keep additional 1 states
Emax=11.8143766566 nrkept=12 nrkeptmult=20 
Kept: 12 out of 90, ratio=0.133
Memory used: 6 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 15/19 (scale 3.053334842735997e-08) ***** 
[1] xi(14)=1 zeta(15)=0
Stats: nr=10 min=1 max=10 sum3=1945
Emax=10.3730140654 nrkept=25 nrkeptmult=46 
Kept: 25 out of 43, ratio=0.581
Memory used: 6 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 16/19 (scale 8.8142184668984575e-09) ***** 
[1] xi(15)=1 zeta(16)=0
Stats: nr=15 min=1 max=14 sum3=10488
Safeguard: keep additional 1 states
Emax=11.9844266786 nrkept=12 nrkeptmult=20 
Kept: 12 out of 90, ratio=0.133
Memory used: 6 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 17/19 (scale 2.5444457022799977e-09) ***** 
[1] xi(16)=1 zeta(17)=0
Stats: nr=10 min=1 max=10 sum3=1945
Emax=10.3879290415 nrkept=25 nrkeptmult=46 
Kept: 25 out of 43, ratio=0.581
Memory used: 6 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 18/19 (scale 7.3451820557487153e-10) ***** 
[1] xi(17)=1 zeta(18)=0
Stats: nr=15 min=1 max=14 sum3=10488
Safeguard: keep additional 1 states
Emax=11.9987442092 nrkept=12 nrkeptmult=20 
Kept: 12 out of 90, ratio=0.133
Memory used: 6 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 19/19 (scale 2.120371418566665e-10) ***** 
[1] xi(18)=1 zeta(19)=0
Stats: nr=10 min=1 max=10 sum3=1945
Emax=10.389179231 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=0.500000000008 neg=0.500000000008 sum= 1.00000000002
mu1=1.54390389362e-16 mu2=0.000664089654451 mu3=4.30970363563e-18 mu4=0.000264964761314


Memory usage report
===================
  after diag: 6976 kB
after recalc: 7016 kB
 after split: 6976 kB
  after trim: 7016 kB
 after trunc: 6976 kB
      diag_h: 4776 kB

Peak usage: 7016 kB

Timing report
=============
         All: 1 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
