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=0.5
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=	0.5
>>  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=0.5
# keep=10000 keepenergy=10 Nmax=19 channels=1 dots=1 betabar=1

Number of invariant subspaces: 6
(-2 1) 1 states
0.0119782755228 
(-1 2) 2 states
0.00568584203775 0.0171412059853 
(0 1) 3 states
0 0.0119782755228 0.022827048023 
(0 3) 1 states
0.0108487725002 
(1 2) 2 states
0.00568584203775 0.0171412059853 
(2 1) 1 states
0.0119782755228 
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 1.2778856223085293) ***** 
[1] xi(0)=0.520696716466 zeta(1)=0
Stats: nr=10 min=1 max=8 sum3=1055
Emax=2.0881853088 nrkept=35 nrkeptmult=64 
Total energy=-1.33173099142  Egs=-1.00455504744
Kept: 35 out of 35, ratio=1
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 2/19 (scale 0.36889380401669092) ***** 
[1] xi(1)=1.12209523626 zeta(2)=0
Stats: nr=15 min=1 max=20 sum3=30066
Emax=8.64542138855 nrkept=126 nrkeptmult=256 
Total energy=-1.59212119167  Egs=-0.705867643816
Kept: 126 out of 126, ratio=1
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 3/19 (scale 0.10649046852571079) ***** 
[1] xi(2)=1.12991299371 zeta(3)=0
Stats: nr=21 min=1 max=75 sum3=1007202
Safeguard: keep additional 3 states
Emax=10.2796280638 nrkept=115 nrkeptmult=256 
Total energy=-1.77845068884  Egs=-1.74972933963
Kept: 115 out of 462, ratio=0.249
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 4/19 (scale 0.030741150334724243) ***** 
[1] xi(3)=1.01363947339 zeta(4)=0
Stats: nr=25 min=1 max=54 sum3=630998
Safeguard: keep additional 1 states
Emax=10.4666642951 nrkept=88 nrkeptmult=180 
Total energy=-1.79317973451  Egs=-0.479131246217
Kept: 88 out of 428, ratio=0.206
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 5/19 (scale 0.0088742057104758982) ***** 
[1] xi(4)=1.00096672485 zeta(5)=0
Stats: nr=21 min=1 max=51 sum3=323951
Safeguard: keep additional 1 states
Emax=12.0853137301 nrkept=37 nrkeptmult=70 
Total energy=-1.80570843375  Egs=-1.41181077443
Kept: 37 out of 323, ratio=0.115
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 6/19 (scale 0.0025617625278936866) ***** 
[1] xi(5)=1.00007845038 zeta(6)=0
Stats: nr=15 min=1 max=21 sum3=34502
Safeguard: keep additional 1 states
Emax=11.4079818976 nrkept=88 nrkeptmult=180 
Total energy=-1.80728384361  Egs=-0.614971075867
Kept: 88 out of 134, ratio=0.657
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 7/19 (scale 0.00073951714253965811) ***** 
[1] xi(6)=1.00000652434 zeta(7)=0
Stats: nr=21 min=1 max=51 sum3=323951
Safeguard: keep additional 1 states
Emax=12.7526546403 nrkept=37 nrkeptmult=70 
Total energy=-1.80807516572  Egs=-1.07005242745
Kept: 37 out of 323, ratio=0.115
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 8/19 (scale 0.00021348021065780722) ***** 
[1] xi(7)=1.00000054361 zeta(8)=0
Stats: nr=15 min=1 max=21 sum3=34502
Safeguard: keep additional 1 states
Emax=11.462592868 nrkept=46 nrkeptmult=100 
Total energy=-1.80825599365  Egs=-0.84704772437
Kept: 46 out of 134, ratio=0.343
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 9/19 (scale 6.1626428544971518e-05) ***** 
[1] xi(8)=1.0000000453 zeta(9)=0
Stats: nr=19 min=1 max=29 sum3=54903
Emax=10.9801098556 nrkept=33 nrkeptmult=62 
Total energy=-1.80829642979  Egs=-0.656149378625
Kept: 33 out of 171, ratio=0.193
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 10/19 (scale 1.7790017554817271e-05) ***** 
[1] xi(9)=1.00000000377 zeta(10)=0
Stats: nr=15 min=1 max=19 sum3=25074
Emax=10.8017913173 nrkept=35 nrkeptmult=73 
Total energy=-1.8083214493  Egs=-1.40637898573
Kept: 35 out of 120, ratio=0.292
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 11/19 (scale 5.1355357120809596e-06) ***** 
[1] xi(10)=1.00000000031 zeta(11)=0
Stats: nr=18 min=1 max=23 sum3=26314
Emax=12.1808572449 nrkept=33 nrkeptmult=62 
Total energy=-1.80832330724  Egs=-0.36178183058
Kept: 33 out of 130, ratio=0.254
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 12/19 (scale 1.4825014629014394e-06) ***** 
[1] xi(11)=1.00000000003 zeta(12)=0
Stats: nr=15 min=1 max=19 sum3=25074
Emax=10.2157208314 nrkept=13 nrkeptmult=23 
Total energy=-1.80832603842  Egs=-1.8422772637
Kept: 13 out of 120, ratio=0.108
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 13/19 (scale 4.2796130934007998e-07) ***** 
[1] xi(12)=1 zeta(13)=0
Stats: nr=10 min=1 max=11 sum3=2405
Emax=10.1783110458 nrkept=25 nrkeptmult=46 
Total energy=-1.80832616745  Egs=-0.301489471139
Kept: 25 out of 47, ratio=0.532
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 14/19 (scale 1.2354178857511992e-07) ***** 
[1] xi(13)=1 zeta(14)=0
Stats: nr=15 min=1 max=14 sum3=10488
Safeguard: keep additional 1 states
Emax=11.7837194216 nrkept=12 nrkeptmult=20 
Total energy=-1.80832640393  Egs=-1.91417920957
Kept: 12 out of 90, ratio=0.133
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 15/19 (scale 3.5663442445006661e-08) ***** 
[1] xi(14)=1 zeta(15)=0
Stats: nr=10 min=1 max=10 sum3=1945
Emax=10.3703030747 nrkept=25 nrkeptmult=46 
Total energy=-1.80832641446  Egs=-0.295440707605
Kept: 25 out of 43, ratio=0.581
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 16/19 (scale 1.0295149047926661e-08) ***** 
[1] xi(15)=1 zeta(16)=0
Stats: nr=15 min=1 max=14 sum3=10488
Safeguard: keep additional 1 states
Emax=11.9818117511 nrkept=12 nrkeptmult=20 
Total energy=-1.80832643424  Egs=-1.92069092862
Kept: 12 out of 90, ratio=0.133
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 17/19 (scale 2.9719535370838888e-09) ***** 
[1] xi(16)=1 zeta(17)=0
Stats: nr=10 min=1 max=10 sum3=1945
Emax=10.3877004079 nrkept=25 nrkeptmult=46 
Total energy=-1.80832643511  Egs=-0.294926253014
Kept: 25 out of 43, ratio=0.581
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 18/19 (scale 8.5792908732722179e-10) ***** 
[1] xi(17)=1 zeta(18)=0
Stats: nr=15 min=1 max=14 sum3=10488
Safeguard: keep additional 1 states
Emax=11.998525995 nrkept=12 nrkeptmult=20 
Total energy=-1.80832643676  Egs=-1.92123738093
Kept: 12 out of 90, ratio=0.133
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 19/19 (scale 2.4766279475699072e-10) ***** 
[1] xi(18)=1 zeta(19)=0
Stats: nr=10 min=1 max=10 sum3=1945
Emax=10.3891601631 nrkept=43 nrkeptmult=80 
Total energy=-1.80832643684  Egs=-0.294883314761
Kept: 43 out of 43, ratio=1
Memory used: 4 MB  Time elapsed: 0 s

** Iteration completed.


Total energy:             -1.808326436836179
TKW=1.30660323836e-05
Grand canonical Z=              4.003011435306966
Zft (last shell)=               4.003008658946606
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=	0.5
>>  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
0.0119782755228 
(-1 2) 2 states
0.00568584203775 0.0171412059853 
(0 1) 3 states
0 0.0119782755228 0.022827048023 
(0 3) 1 states
0.0108487725002 
(1 2) 2 states
0.00568584203775 0.0171412059853 
(2 1) 1 states
0.0119782755228 
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 1.2778856223085293) ***** 
[1] xi(0)=0.520696716466 zeta(1)=0
Stats: nr=10 min=1 max=8 sum3=1055
Emax=2.0881853088 nrkept=35 nrkeptmult=64 
Kept: 35 out of 35, ratio=1
Memory used: 5 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 2/19 (scale 0.36889380401669092) ***** 
[1] xi(1)=1.12209523626 zeta(2)=0
Stats: nr=15 min=1 max=20 sum3=30066
Emax=8.64542138855 nrkept=126 nrkeptmult=256 
Kept: 126 out of 126, ratio=1
Memory used: 5 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 3/19 (scale 0.10649046852571079) ***** 
[1] xi(2)=1.12991299371 zeta(3)=0
Stats: nr=21 min=1 max=75 sum3=1007202
Safeguard: keep additional 3 states
Emax=10.2796280638 nrkept=115 nrkeptmult=256 
Kept: 115 out of 462, ratio=0.249
Memory used: 5 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 4/19 (scale 0.030741150334724243) ***** 
[1] xi(3)=1.01363947339 zeta(4)=0
Stats: nr=25 min=1 max=54 sum3=630998
Safeguard: keep additional 1 states
Emax=10.4666642951 nrkept=88 nrkeptmult=180 
Kept: 88 out of 428, ratio=0.206
Memory used: 5 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 5/19 (scale 0.0088742057104758982) ***** 
[1] xi(4)=1.00096672485 zeta(5)=0
Stats: nr=21 min=1 max=51 sum3=323951
Safeguard: keep additional 1 states
Emax=12.0853137301 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 0.0025617625278936866) ***** 
[1] xi(5)=1.00007845038 zeta(6)=0
Stats: nr=15 min=1 max=21 sum3=34502
Safeguard: keep additional 1 states
Emax=11.4079818976 nrkept=88 nrkeptmult=180 
Kept: 88 out of 134, ratio=0.657
Memory used: 5 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 7/19 (scale 0.00073951714253965811) ***** 
[1] xi(6)=1.00000652434 zeta(7)=0
Stats: nr=21 min=1 max=51 sum3=323951
Safeguard: keep additional 1 states
Emax=12.7526546403 nrkept=37 nrkeptmult=70 
Kept: 37 out of 323, ratio=0.115
Memory used: 5 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 8/19 (scale 0.00021348021065780722) ***** 
[1] xi(7)=1.00000054361 zeta(8)=0
Stats: nr=15 min=1 max=21 sum3=34502
Safeguard: keep additional 1 states
Emax=11.462592868 nrkept=46 nrkeptmult=100 
Kept: 46 out of 134, ratio=0.343
Memory used: 5 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 9/19 (scale 6.1626428544971518e-05) ***** 
[1] xi(8)=1.0000000453 zeta(9)=0
Stats: nr=19 min=1 max=29 sum3=54903
Emax=10.9801098556 nrkept=33 nrkeptmult=62 
Kept: 33 out of 171, ratio=0.193
Memory used: 5 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 10/19 (scale 1.7790017554817271e-05) ***** 
[1] xi(9)=1.00000000377 zeta(10)=0
Stats: nr=15 min=1 max=19 sum3=25074
Emax=10.8017913173 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 5.1355357120809596e-06) ***** 
[1] xi(10)=1.00000000031 zeta(11)=0
Stats: nr=18 min=1 max=23 sum3=26314
Emax=12.1808572449 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 1.4825014629014394e-06) ***** 
[1] xi(11)=1.00000000003 zeta(12)=0
Stats: nr=15 min=1 max=19 sum3=25074
Emax=10.2157208314 nrkept=13 nrkeptmult=23 
Kept: 13 out of 120, ratio=0.108
Memory used: 5 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 13/19 (scale 4.2796130934007998e-07) ***** 
[1] xi(12)=1 zeta(13)=0
Stats: nr=10 min=1 max=11 sum3=2405
Emax=10.1783110458 nrkept=25 nrkeptmult=46 
Kept: 25 out of 47, ratio=0.532
Memory used: 5 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 14/19 (scale 1.2354178857511992e-07) ***** 
[1] xi(13)=1 zeta(14)=0
Stats: nr=15 min=1 max=14 sum3=10488
Safeguard: keep additional 1 states
Emax=11.7837194216 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 3.5663442445006661e-08) ***** 
[1] xi(14)=1 zeta(15)=0
Stats: nr=10 min=1 max=10 sum3=1945
Emax=10.3703030747 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 1.0295149047926661e-08) ***** 
[1] xi(15)=1 zeta(16)=0
Stats: nr=15 min=1 max=14 sum3=10488
Safeguard: keep additional 1 states
Emax=11.9818117511 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 2.9719535370838888e-09) ***** 
[1] xi(16)=1 zeta(17)=0
Stats: nr=10 min=1 max=10 sum3=1945
Emax=10.3877004079 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 8.5792908732722179e-10) ***** 
[1] xi(17)=1 zeta(18)=0
Stats: nr=15 min=1 max=14 sum3=10488
Safeguard: keep additional 1 states
Emax=11.998525995 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 2.4766279475699072e-10) ***** 
[1] xi(18)=1 zeta(19)=0
Stats: nr=10 min=1 max=10 sum3=1945
Emax=10.3891601631 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=0.499999999991 neg=0.499999999991 sum= 0.999999999982
mu1=2.04263689296e-16 mu2=0.000664170622048 mu3=-1.16551733542e-18 mu4=0.000282704610585


Memory usage report
===================
  after diag: 6300 kB
after recalc: 6340 kB
 after split: 6300 kB
  after trim: 6340 kB
 after trunc: 6300 kB
      diag_h: 4768 kB

Peak usage: 6340 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
