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=0.625
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=	0.625
>>  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=0.625
# keep=10000 keepenergy=10 Nmax=19 channels=1 dots=1 betabar=1

Number of invariant subspaces: 6
(-2 1) 1 states
0.0163415013518 
(-1 2) 2 states
0.00775697596612 0.0233850891346 
(0 1) 3 states
0 0.0163415013518 0.0311420651007 
(0 3) 1 states
0.0148005637489 
(1 2) 2 states
0.00775697596612 0.0233850891346 
(2 1) 1 states
0.0163415013518 
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 0.93668664470397767) ***** 
[1] xi(0)=0.657260430244 zeta(1)=0
Stats: nr=10 min=1 max=8 sum3=1055
Emax=2.63656893924 nrkept=35 nrkeptmult=64 
Total energy=-1.23231945661  Egs=-1.26434483061
Kept: 35 out of 35, ratio=1
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 2/19 (scale 0.27039814323308442) ***** 
[1] xi(1)=1.16215086204 zeta(2)=0
Stats: nr=15 min=1 max=20 sum3=30066
Emax=10.2304640037 nrkept=117 nrkeptmult=241 
Total energy=-1.40371418583  Egs=-0.633860599674
Kept: 117 out of 126, ratio=0.929
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 3/19 (scale 0.078057220391998153) ***** 
[1] xi(2)=1.07576155619 zeta(3)=0
Stats: nr=21 min=1 max=68 sum3=768322
Safeguard: keep additional 1 states
Emax=10.8083449205 nrkept=73 nrkeptmult=154 
Total energy=-1.53630439932  Egs=-1.69862842697
Kept: 73 out of 430, ratio=0.17
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 4/19 (scale 0.022533178602757036) ***** 
[1] xi(3)=1.00653956399 zeta(4)=0
Stats: nr=23 min=1 max=37 sum3=193906
Safeguard: keep additional 1 states
Emax=10.494702563 nrkept=88 nrkeptmult=180 
Total energy=-1.5474386834  Egs=-0.494128426041
Kept: 88 out of 268, ratio=0.328
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 5/19 (scale 0.0065047683659998452) ***** 
[1] xi(4)=1.00048208073 zeta(5)=0
Stats: nr=21 min=1 max=51 sum3=323951
Safeguard: keep additional 1 states
Emax=12.1147480928 nrkept=37 nrkeptmult=70 
Total energy=-1.5563433272  Egs=-1.36894095245
Kept: 37 out of 323, ratio=0.115
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 6/19 (scale 0.0018777648835630865) ***** 
[1] xi(5)=1.00003950646 zeta(6)=0
Stats: nr=15 min=1 max=21 sum3=34502
Emax=10.0871311139 nrkept=74 nrkeptmult=160 
Total energy=-1.55753255707  Egs=-0.633322030548
Kept: 74 out of 134, ratio=0.552
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 7/19 (scale 0.00054206403049998706) ***** 
[1] xi(6)=1.0000032879 zeta(7)=0
Stats: nr=19 min=1 max=45 sum3=215003
Safeguard: keep additional 1 states
Emax=12.9405880068 nrkept=37 nrkeptmult=70 
Total energy=-1.55808784441  Egs=-1.0243943762
Kept: 37 out of 275, ratio=0.135
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 8/19 (scale 0.00015648040696359053) ***** 
[1] xi(7)=1.00000027396 zeta(8)=0
Stats: nr=15 min=1 max=21 sum3=34502
Safeguard: keep additional 1 states
Emax=11.655974036 nrkept=46 nrkeptmult=100 
Total energy=-1.55822815699  Egs=-0.896678275906
Kept: 46 out of 134, ratio=0.343
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 9/19 (scale 4.5172002541665589e-05) ***** 
[1] xi(8)=1.00000002283 zeta(9)=0
Stats: nr=19 min=1 max=29 sum3=54903
Emax=11.0190892146 nrkept=33 nrkeptmult=62 
Total energy=-1.55825544263  Egs=-0.60403871957
Kept: 33 out of 171, ratio=0.193
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 10/19 (scale 1.3040033913632545e-05) ***** 
[1] xi(9)=1.0000000019 zeta(10)=0
Stats: nr=15 min=1 max=19 sum3=25074
Emax=11.0523615521 nrkept=35 nrkeptmult=73 
Total energy=-1.55827483486  Egs=-1.48713022793
Kept: 35 out of 120, ratio=0.292
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 11/19 (scale 3.7643335451387996e-06) ***** 
[1] xi(10)=1.00000000016 zeta(11)=0
Stats: nr=18 min=1 max=23 sum3=26314
Emax=12.4465420932 nrkept=33 nrkeptmult=62 
Total energy=-1.55827613767  Egs=-0.346091997266
Kept: 33 out of 130, ratio=0.254
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 12/19 (scale 1.0866694928027121e-06) ***** 
[1] xi(11)=1.00000000001 zeta(12)=0
Stats: nr=15 min=1 max=19 sum3=25074
Safeguard: keep additional 1 states
Emax=10.3404699704 nrkept=12 nrkeptmult=20 
Total energy=-1.55827816109  Egs=-1.86204228777
Kept: 12 out of 120, ratio=0.1
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 13/19 (scale 3.1369446209489997e-07) ***** 
[1] xi(12)=1 zeta(13)=0
Stats: nr=10 min=1 max=10 sum3=1945
Emax=10.2310320914 nrkept=25 nrkeptmult=46 
Total energy=-1.55827825512  Egs=-0.299753797527
Kept: 25 out of 43, ratio=0.581
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 14/19 (scale 9.055579106689267e-08) ***** 
[1] xi(13)=1 zeta(14)=0
Stats: nr=15 min=1 max=14 sum3=10488
Safeguard: keep additional 1 states
Emax=11.8407724196 nrkept=12 nrkeptmult=20 
Total energy=-1.55827842863  Egs=-1.91606476721
Kept: 12 out of 90, ratio=0.133
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 15/19 (scale 2.6141205174574994e-08) ***** 
[1] xi(14)=1 zeta(15)=0
Stats: nr=10 min=1 max=10 sum3=1945
Emax=10.3753378787 nrkept=25 nrkeptmult=46 
Total energy=-1.55827843635  Egs=-0.29529130045
Kept: 25 out of 43, ratio=0.581
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 16/19 (scale 7.5463159222410553e-09) ***** 
[1] xi(15)=1 zeta(16)=0
Stats: nr=15 min=1 max=14 sum3=10488
Safeguard: keep additional 1 states
Emax=11.9866672586 nrkept=12 nrkeptmult=20 
Total energy=-1.55827845085  Egs=-1.92084984291
Kept: 12 out of 90, ratio=0.133
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 17/19 (scale 2.178433764547916e-09) ***** 
[1] xi(16)=1 zeta(17)=0
Stats: nr=10 min=1 max=10 sum3=1945
Emax=10.3881246696 nrkept=25 nrkeptmult=46 
Total energy=-1.55827845149  Egs=-0.294913769632
Kept: 25 out of 43, ratio=0.581
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 18/19 (scale 6.2885966018675461e-10) ***** 
[1] xi(17)=1 zeta(18)=0
Stats: nr=15 min=1 max=14 sum3=10488
Safeguard: keep additional 1 states
Emax=11.9989311411 nrkept=12 nrkeptmult=20 
Total energy=-1.5582784527  Egs=-1.92125063405
Kept: 12 out of 90, ratio=0.133
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 19/19 (scale 1.815361470456597e-10) ***** 
[1] xi(18)=1 zeta(19)=0
Stats: nr=10 min=1 max=10 sum3=1945
Emax=10.3891955438 nrkept=43 nrkeptmult=80 
Total energy=-1.55827845275  Egs=-0.29488227446
Kept: 43 out of 43, ratio=1
Memory used: 4 MB  Time elapsed: 0 s

** Iteration completed.


Total energy:              -1.55827845275287
TKW=1.08715545894e-05
Grand canonical Z=              4.029851778442109
Zft (last shell)=                4.02985235339059
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=	0.625
>>  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
0.0163415013518 
(-1 2) 2 states
0.00775697596612 0.0233850891346 
(0 1) 3 states
0 0.0163415013518 0.0311420651007 
(0 3) 1 states
0.0148005637489 
(1 2) 2 states
0.00775697596612 0.0233850891346 
(2 1) 1 states
0.0163415013518 
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 0.93668664470397767) ***** 
[1] xi(0)=0.657260430244 zeta(1)=0
Stats: nr=10 min=1 max=8 sum3=1055
Emax=2.63656893924 nrkept=35 nrkeptmult=64 
Kept: 35 out of 35, ratio=1
Memory used: 5 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 2/19 (scale 0.27039814323308442) ***** 
[1] xi(1)=1.16215086204 zeta(2)=0
Stats: nr=15 min=1 max=20 sum3=30066
Emax=10.2304640037 nrkept=117 nrkeptmult=241 
Kept: 117 out of 126, ratio=0.929
Memory used: 5 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 3/19 (scale 0.078057220391998153) ***** 
[1] xi(2)=1.07576155619 zeta(3)=0
Stats: nr=21 min=1 max=68 sum3=768322
Safeguard: keep additional 1 states
Emax=10.8083449205 nrkept=73 nrkeptmult=154 
Kept: 73 out of 430, ratio=0.17
Memory used: 5 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 4/19 (scale 0.022533178602757036) ***** 
[1] xi(3)=1.00653956399 zeta(4)=0
Stats: nr=23 min=1 max=37 sum3=193906
Safeguard: keep additional 1 states
Emax=10.494702563 nrkept=88 nrkeptmult=180 
Kept: 88 out of 268, ratio=0.328
Memory used: 5 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 5/19 (scale 0.0065047683659998452) ***** 
[1] xi(4)=1.00048208073 zeta(5)=0
Stats: nr=21 min=1 max=51 sum3=323951
Safeguard: keep additional 1 states
Emax=12.1147480928 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 0.0018777648835630865) ***** 
[1] xi(5)=1.00003950646 zeta(6)=0
Stats: nr=15 min=1 max=21 sum3=34502
Emax=10.0871311139 nrkept=74 nrkeptmult=160 
Kept: 74 out of 134, ratio=0.552
Memory used: 5 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 7/19 (scale 0.00054206403049998706) ***** 
[1] xi(6)=1.0000032879 zeta(7)=0
Stats: nr=19 min=1 max=45 sum3=215003
Safeguard: keep additional 1 states
Emax=12.9405880068 nrkept=37 nrkeptmult=70 
Kept: 37 out of 275, ratio=0.135
Memory used: 5 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 8/19 (scale 0.00015648040696359053) ***** 
[1] xi(7)=1.00000027396 zeta(8)=0
Stats: nr=15 min=1 max=21 sum3=34502
Safeguard: keep additional 1 states
Emax=11.655974036 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 4.5172002541665589e-05) ***** 
[1] xi(8)=1.00000002283 zeta(9)=0
Stats: nr=19 min=1 max=29 sum3=54903
Emax=11.0190892146 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 1.3040033913632545e-05) ***** 
[1] xi(9)=1.0000000019 zeta(10)=0
Stats: nr=15 min=1 max=19 sum3=25074
Emax=11.0523615521 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 3.7643335451387996e-06) ***** 
[1] xi(10)=1.00000000016 zeta(11)=0
Stats: nr=18 min=1 max=23 sum3=26314
Emax=12.4465420932 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 1.0866694928027121e-06) ***** 
[1] xi(11)=1.00000000001 zeta(12)=0
Stats: nr=15 min=1 max=19 sum3=25074
Safeguard: keep additional 1 states
Emax=10.3404699704 nrkept=12 nrkeptmult=20 
Kept: 12 out of 120, ratio=0.1
Memory used: 5 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 13/19 (scale 3.1369446209489997e-07) ***** 
[1] xi(12)=1 zeta(13)=0
Stats: nr=10 min=1 max=10 sum3=1945
Emax=10.2310320914 nrkept=25 nrkeptmult=46 
Kept: 25 out of 43, ratio=0.581
Memory used: 5 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 14/19 (scale 9.055579106689267e-08) ***** 
[1] xi(13)=1 zeta(14)=0
Stats: nr=15 min=1 max=14 sum3=10488
Safeguard: keep additional 1 states
Emax=11.8407724196 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 2.6141205174574994e-08) ***** 
[1] xi(14)=1 zeta(15)=0
Stats: nr=10 min=1 max=10 sum3=1945
Emax=10.3753378787 nrkept=25 nrkeptmult=46 
Kept: 25 out of 43, ratio=0.581
Memory used: 5 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 16/19 (scale 7.5463159222410553e-09) ***** 
[1] xi(15)=1 zeta(16)=0
Stats: nr=15 min=1 max=14 sum3=10488
Safeguard: keep additional 1 states
Emax=11.9866672586 nrkept=12 nrkeptmult=20 
Kept: 12 out of 90, ratio=0.133
Memory used: 5 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 17/19 (scale 2.178433764547916e-09) ***** 
[1] xi(16)=1 zeta(17)=0
Stats: nr=10 min=1 max=10 sum3=1945
Emax=10.3881246696 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 6.2885966018675461e-10) ***** 
[1] xi(17)=1 zeta(18)=0
Stats: nr=15 min=1 max=14 sum3=10488
Safeguard: keep additional 1 states
Emax=11.9989311411 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 1.815361470456597e-10) ***** 
[1] xi(18)=1 zeta(19)=0
Stats: nr=10 min=1 max=10 sum3=1945
Emax=10.3891955438 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=0.5 neg=0.5 sum= 1
mu1=-1.98625837999e-16 mu2=0.000663787485462 mu3=-5.42101086243e-18 mu4=0.000242235952969


Memory usage report
===================
  after diag: 6188 kB
after recalc: 6232 kB
 after split: 6188 kB
  after trim: 6232 kB
 after trunc: 6188 kB
      diag_h: 4704 kB

Peak usage: 6232 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
