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=16
strategy=kept
lastall=1
lastalloverride=0
z=0.375
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=	16.	 BAND=	flat
>>  DISCRETIZATION=	Z	 z=	0.375
>>  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=16 z=0.375
# keep=10000 keepenergy=10 Nmax=18 channels=1 dots=1 betabar=1

Number of invariant subspaces: 6
(-2 1) 1 states
0.00693036488361 
(-1 2) 2 states
0.00328970225448 0.00991752208376 
(0 1) 3 states
0 0.00693036488361 0.0132072243382 
(0 3) 1 states
0.00627685945463 
(1 2) 2 states
0.00328970225448 0.00991752208376 
(2 1) 1 states
0.00693036488361 
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 1.9127614623689804) ***** 
[1] xi(0)=0.362512079427 zeta(1)=0
Stats: nr=10 min=1 max=8 sum3=1055
Emax=1.45361515102 nrkept=35 nrkeptmult=64 
Total energy=-1.38770952099  Egs=-0.700393126832
Kept: 35 out of 35, ratio=1
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 2/18 (scale 0.47819036559224509) ***** 
[1] xi(1)=1.0424951338 zeta(2)=0
Stats: nr=15 min=1 max=20 sum3=30066
Emax=7.26926108013 nrkept=126 nrkeptmult=256 
Total energy=-1.73554530675  Egs=-0.727400238031
Kept: 126 out of 126, ratio=1
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 3/18 (scale 0.11954759139806127) ***** 
[1] xi(2)=1.19696475522 zeta(3)=0
Stats: nr=21 min=1 max=75 sum3=1007202
Safeguard: keep additional 3 states
Emax=10.1058242536 nrkept=115 nrkeptmult=256 
Total energy=-1.94988222129  Egs=-1.79290031726
Kept: 115 out of 462, ratio=0.249
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 4/18 (scale 0.029886897849515318) ***** 
[1] xi(3)=1.01962277887 zeta(4)=0
Stats: nr=25 min=1 max=54 sum3=630998
Safeguard: keep additional 1 states
Emax=12.0872995404 nrkept=88 nrkeptmult=180 
Total energy=-1.96292329468  Egs=-0.436347507654
Kept: 88 out of 428, ratio=0.206
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 5/18 (scale 0.0074717244623788296) ***** 
[1] xi(4)=1.00099640774 zeta(5)=0
Stats: nr=21 min=1 max=51 sum3=323951
Safeguard: keep additional 1 states
Emax=16.113592494 nrkept=37 nrkeptmult=70 
Total energy=-1.9732103228  Egs=-1.37679436343
Kept: 37 out of 323, ratio=0.115
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 6/18 (scale 0.0018679311155947074) ***** 
[1] xi(5)=1.00006036226 zeta(6)=0
Stats: nr=15 min=1 max=21 sum3=34502
Safeguard: keep additional 1 states
Emax=10.0659392604 nrkept=58 nrkeptmult=124 
Total energy=-1.97429812945  Egs=-0.58235908075
Kept: 58 out of 134, ratio=0.433
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 7/18 (scale 0.00046698277889867685) ***** 
[1] xi(6)=1.00000376617 zeta(7)=0
Stats: nr=19 min=1 max=35 sum3=101916
Emax=10.7691048905 nrkept=33 nrkeptmult=62 
Total energy=-1.97475097995  Egs=-0.969737032541
Kept: 33 out of 216, ratio=0.153
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 8/18 (scale 0.00011674569472466921) ***** 
[1] xi(7)=1.00000023536 zeta(8)=0
Stats: nr=15 min=1 max=19 sum3=25074
Emax=10.4690711005 nrkept=35 nrkeptmult=75 
Total energy=-1.97485517457  Egs=-0.892492251292
Kept: 35 out of 120, ratio=0.292
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 9/18 (scale 2.9186423681167303e-05) ***** 
[1] xi(8)=1.00000001471 zeta(9)=0
Stats: nr=18 min=1 max=23 sum3=26651
Safeguard: keep additional 3 states
Emax=10.1553220486 nrkept=24 nrkeptmult=44 
Total energy=-1.97486983174  Egs=-0.502191056013
Kept: 24 out of 131, ratio=0.183
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 10/18 (scale 7.2966059202918258e-06) ***** 
[1] xi(9)=1.00000000092 zeta(10)=0
Stats: nr=15 min=1 max=13 sum3=8516
Emax=10.228156535 nrkept=22 nrkeptmult=48 
Total energy=-1.97488148435  Egs=-1.59699170905
Kept: 22 out of 86, ratio=0.256
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 11/18 (scale 1.8241514800729564e-06) ***** 
[1] xi(10)=1.00000000006 zeta(11)=0
Stats: nr=16 min=1 max=16 sum3=8224
Emax=11.1069369665 nrkept=25 nrkeptmult=46 
Total energy=-1.97488199986  Egs=-0.282600266624
Kept: 25 out of 82, ratio=0.305
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 12/18 (scale 4.5603787001823911e-07) ***** 
[1] xi(11)=1 zeta(12)=0
Stats: nr=15 min=1 max=14 sum3=10488
Safeguard: keep additional 1 states
Emax=14.4921601265 nrkept=12 nrkeptmult=20 
Total energy=-1.97488287059  Egs=-1.90933049307
Kept: 12 out of 90, ratio=0.133
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 13/18 (scale 1.1400946750455978e-07) ***** 
[1] xi(12)=1 zeta(13)=0
Stats: nr=10 min=1 max=10 sum3=1945
Emax=11.911401068 nrkept=25 nrkeptmult=46 
Total energy=-1.97488289977  Egs=-0.255955831694
Kept: 25 out of 43, ratio=0.581
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 14/18 (scale 2.8502366876139944e-08) ***** 
[1] xi(13)=1 zeta(14)=0
Stats: nr=15 min=1 max=14 sum3=10488
Safeguard: keep additional 1 states
Emax=15.898074266 nrkept=12 nrkeptmult=20 
Total energy=-1.97488295501  Egs=-1.93819160675
Kept: 12 out of 90, ratio=0.133
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 15/18 (scale 7.1255917190349861e-09) ***** 
[1] xi(14)=1 zeta(15)=0
Stats: nr=10 min=1 max=10 sum3=1945
Emax=11.9929093627 nrkept=25 nrkeptmult=46 
Total energy=-1.97488295682  Egs=-0.254128212501
Kept: 25 out of 43, ratio=0.581
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 16/18 (scale 1.7813979297587465e-09) ***** 
[1] xi(15)=1 zeta(16)=0
Stats: nr=15 min=1 max=14 sum3=10488
Safeguard: keep additional 1 states
Emax=15.9936209297 nrkept=12 nrkeptmult=20 
Total energy=-1.97488296028  Egs=-1.940051153
Kept: 12 out of 90, ratio=0.133
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 17/18 (scale 4.4534948243968663e-10) ***** 
[1] xi(16)=1 zeta(17)=0
Stats: nr=10 min=1 max=10 sum3=1945
Emax=11.9981814495 nrkept=25 nrkeptmult=46 
Total energy=-1.97488296039  Egs=-0.254013201503
Kept: 25 out of 43, ratio=0.581
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 18/18 (scale 1.1133737060992166e-10) ***** 
[1] xi(17)=1 zeta(18)=0
Stats: nr=15 min=1 max=14 sum3=10488
Safeguard: keep additional 1 states
Emax=15.9996151601 nrkept=90 nrkeptmult=184 
Total energy=-1.97488296061  Egs=-1.94016759626
Kept: 90 out of 90, ratio=1
Memory used: 4 MB  Time elapsed: 0 s

** Iteration completed.


Total energy:             -1.974882960607326
TKW=5.95044176817e-05
Grand canonical Z=               3.22720354432999
Zft (last shell)=               3.227205721904656
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=	16.	 BAND=	flat
>>  DISCRETIZATION=	Z	 z=	0.375
>>  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
0.00693036488361 
(-1 2) 2 states
0.00328970225448 0.00991752208376 
(0 1) 3 states
0 0.00693036488361 0.0132072243382 
(0 3) 1 states
0.00627685945463 
(1 2) 2 states
0.00328970225448 0.00991752208376 
(2 1) 1 states
0.00693036488361 
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 1.9127614623689804) ***** 
[1] xi(0)=0.362512079427 zeta(1)=0
Stats: nr=10 min=1 max=8 sum3=1055
Emax=1.45361515102 nrkept=35 nrkeptmult=64 
Kept: 35 out of 35, ratio=1
Memory used: 5 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 2/18 (scale 0.47819036559224509) ***** 
[1] xi(1)=1.0424951338 zeta(2)=0
Stats: nr=15 min=1 max=20 sum3=30066
Emax=7.26926108013 nrkept=126 nrkeptmult=256 
Kept: 126 out of 126, ratio=1
Memory used: 5 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 3/18 (scale 0.11954759139806127) ***** 
[1] xi(2)=1.19696475522 zeta(3)=0
Stats: nr=21 min=1 max=75 sum3=1007202
Safeguard: keep additional 3 states
Emax=10.1058242536 nrkept=115 nrkeptmult=256 
Kept: 115 out of 462, ratio=0.249
Memory used: 6 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 4/18 (scale 0.029886897849515318) ***** 
[1] xi(3)=1.01962277887 zeta(4)=0
Stats: nr=25 min=1 max=54 sum3=630998
Safeguard: keep additional 1 states
Emax=12.0872995404 nrkept=88 nrkeptmult=180 
Kept: 88 out of 428, ratio=0.206
Memory used: 6 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 5/18 (scale 0.0074717244623788296) ***** 
[1] xi(4)=1.00099640774 zeta(5)=0
Stats: nr=21 min=1 max=51 sum3=323951
Safeguard: keep additional 1 states
Emax=16.113592494 nrkept=37 nrkeptmult=70 
Kept: 37 out of 323, ratio=0.115
Memory used: 6 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 6/18 (scale 0.0018679311155947074) ***** 
[1] xi(5)=1.00006036226 zeta(6)=0
Stats: nr=15 min=1 max=21 sum3=34502
Safeguard: keep additional 1 states
Emax=10.0659392604 nrkept=58 nrkeptmult=124 
Kept: 58 out of 134, ratio=0.433
Memory used: 6 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 7/18 (scale 0.00046698277889867685) ***** 
[1] xi(6)=1.00000376617 zeta(7)=0
Stats: nr=19 min=1 max=35 sum3=101916
Emax=10.7691048905 nrkept=33 nrkeptmult=62 
Kept: 33 out of 216, ratio=0.153
Memory used: 6 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 8/18 (scale 0.00011674569472466921) ***** 
[1] xi(7)=1.00000023536 zeta(8)=0
Stats: nr=15 min=1 max=19 sum3=25074
Emax=10.4690711005 nrkept=35 nrkeptmult=75 
Kept: 35 out of 120, ratio=0.292
Memory used: 6 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 9/18 (scale 2.9186423681167303e-05) ***** 
[1] xi(8)=1.00000001471 zeta(9)=0
Stats: nr=18 min=1 max=23 sum3=26651
Safeguard: keep additional 3 states
Emax=10.1553220486 nrkept=24 nrkeptmult=44 
Kept: 24 out of 131, ratio=0.183
Memory used: 6 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 10/18 (scale 7.2966059202918258e-06) ***** 
[1] xi(9)=1.00000000092 zeta(10)=0
Stats: nr=15 min=1 max=13 sum3=8516
Emax=10.228156535 nrkept=22 nrkeptmult=48 
Kept: 22 out of 86, ratio=0.256
Memory used: 6 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 11/18 (scale 1.8241514800729564e-06) ***** 
[1] xi(10)=1.00000000006 zeta(11)=0
Stats: nr=16 min=1 max=16 sum3=8224
Emax=11.1069369665 nrkept=25 nrkeptmult=46 
Kept: 25 out of 82, ratio=0.305
Memory used: 6 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 12/18 (scale 4.5603787001823911e-07) ***** 
[1] xi(11)=1 zeta(12)=0
Stats: nr=15 min=1 max=14 sum3=10488
Safeguard: keep additional 1 states
Emax=14.4921601265 nrkept=12 nrkeptmult=20 
Kept: 12 out of 90, ratio=0.133
Memory used: 6 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 13/18 (scale 1.1400946750455978e-07) ***** 
[1] xi(12)=1 zeta(13)=0
Stats: nr=10 min=1 max=10 sum3=1945
Emax=11.911401068 nrkept=25 nrkeptmult=46 
Kept: 25 out of 43, ratio=0.581
Memory used: 6 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 14/18 (scale 2.8502366876139944e-08) ***** 
[1] xi(13)=1 zeta(14)=0
Stats: nr=15 min=1 max=14 sum3=10488
Safeguard: keep additional 1 states
Emax=15.898074266 nrkept=12 nrkeptmult=20 
Kept: 12 out of 90, ratio=0.133
Memory used: 6 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 15/18 (scale 7.1255917190349861e-09) ***** 
[1] xi(14)=1 zeta(15)=0
Stats: nr=10 min=1 max=10 sum3=1945
Emax=11.9929093627 nrkept=25 nrkeptmult=46 
Kept: 25 out of 43, ratio=0.581
Memory used: 6 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 16/18 (scale 1.7813979297587465e-09) ***** 
[1] xi(15)=1 zeta(16)=0
Stats: nr=15 min=1 max=14 sum3=10488
Safeguard: keep additional 1 states
Emax=15.9936209297 nrkept=12 nrkeptmult=20 
Kept: 12 out of 90, ratio=0.133
Memory used: 6 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 17/18 (scale 4.4534948243968663e-10) ***** 
[1] xi(16)=1 zeta(17)=0
Stats: nr=10 min=1 max=10 sum3=1945
Emax=11.9981814495 nrkept=25 nrkeptmult=46 
Kept: 25 out of 43, ratio=0.581
Memory used: 6 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 18/18 (scale 1.1133737060992166e-10) ***** 
[1] xi(17)=1 zeta(18)=0
Stats: nr=15 min=1 max=14 sum3=10488
Safeguard: keep additional 1 states
Emax=15.9996151601 nrkept=90 nrkeptmult=184 
Kept: 90 out of 90, 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=-5.17814957579e-16 mu2=0.000663567820817 mu3=-3.98444298388e-18 mu4=0.000306945381679


Memory usage report
===================
  after diag: 6448 kB
after recalc: 6492 kB
 after split: 6448 kB
  after trim: 6492 kB
 after trunc: 6448 kB
      diag_h: 4744 kB

Peak usage: 6492 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
