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=0.1875
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=	0.1875
>>  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=0.1875
# keep=10000 keepenergy=10 Nmax=18 channels=1 dots=1 betabar=1

Number of invariant subspaces: 6
(-2 1) 1 states
0.00412081961457 
(-1 2) 2 states
0.00195606866363 0.0058969939126 
(0 1) 3 states
0 0.00412081961457 0.00785306257623 
(0 3) 1 states
0.00373224296166 
(1 2) 2 states
0.00195606866363 0.0058969939126 
(2 1) 1 states
0.00412081961457 
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 3.2168685138830564) ***** 
[1] xi(0)=0.195411230181 zeta(1)=0
Stats: nr=10 min=1 max=8 sum3=1055
Emax=0.783823659529 nrkept=35 nrkeptmult=64 
Total energy=-1.25822882539  Egs=-0.376205704612
Kept: 35 out of 35, ratio=1
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 2/18 (scale 0.8042171284707641) ***** 
[1] xi(1)=0.855958306538 zeta(2)=0
Stats: nr=15 min=1 max=20 sum3=30066
Emax=4.73024319691 nrkept=126 nrkeptmult=256 
Total energy=-1.89957130039  Egs=-0.797474279398
Kept: 126 out of 126, ratio=1
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 3/18 (scale 0.20105428211769102) ***** 
[1] xi(2)=1.47245783038 zeta(3)=0
Stats: nr=21 min=1 max=75 sum3=1007202
Safeguard: keep additional 11 states
Emax=10.5076513126 nrkept=172 nrkeptmult=380 
Total energy=-2.30767965283  Egs=-2.0298416335
Kept: 172 out of 462, ratio=0.372
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 4/18 (scale 0.050263570529422756) ***** 
[1] xi(3)=1.06968589078 zeta(4)=0
Stats: nr=25 min=1 max=81 sum3=2125724
Safeguard: keep additional 1 states
Emax=12.0510412579 nrkept=88 nrkeptmult=180 
Total energy=-2.32897458826  Egs=-0.423665394241
Kept: 88 out of 638, ratio=0.138
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 5/18 (scale 0.012565892632355689) ***** 
[1] xi(4)=1.00274932434 zeta(5)=0
Stats: nr=21 min=1 max=51 sum3=323951
Safeguard: keep additional 1 states
Emax=16.0685600901 nrkept=37 nrkeptmult=70 
Total energy=-2.34723413814  Egs=-1.45310408281
Kept: 37 out of 323, ratio=0.115
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 6/18 (scale 0.0031414731580889223) ***** 
[1] xi(5)=1.00015656959 zeta(6)=0
Stats: nr=15 min=1 max=21 sum3=34502
Safeguard: keep additional 2 states
Emax=10.0839285895 nrkept=69 nrkeptmult=145 
Total energy=-2.34897276107  Egs=-0.553441917245
Kept: 69 out of 134, ratio=0.515
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 7/18 (scale 0.00078536828952223056) ***** 
[1] xi(6)=1.00000974404 zeta(7)=0
Stats: nr=19 min=1 max=42 sum3=174267
Safeguard: keep additional 1 states
Emax=16.8584442876 nrkept=37 nrkeptmult=70 
Total energy=-2.34979618483  Egs=-1.0484555709
Kept: 37 out of 255, ratio=0.145
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 8/18 (scale 0.00019634207238055764) ***** 
[1] xi(7)=1.00000060885 zeta(8)=0
Stats: nr=15 min=1 max=21 sum3=34502
Emax=10.0556109289 nrkept=35 nrkeptmult=75 
Total energy=-2.34995404097  Egs=-0.803985313282
Kept: 35 out of 134, ratio=0.261
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 9/18 (scale 4.908551809513941e-05) ***** 
[1] xi(8)=1.00000003805 zeta(9)=0
Stats: nr=18 min=1 max=23 sum3=26651
Safeguard: keep additional 3 states
Emax=10.4976453689 nrkept=24 nrkeptmult=44 
Total energy=-2.34998264476  Egs=-0.582733706243
Kept: 24 out of 131, ratio=0.183
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 10/18 (scale 1.2271379523784853e-05) ***** 
[1] xi(9)=1.00000000238 zeta(10)=0
Stats: nr=15 min=1 max=13 sum3=8516
Safeguard: keep additional 2 states
Emax=10.723715047 nrkept=25 nrkeptmult=51 
Total energy=-2.35000063877  Egs=-1.46634008925
Kept: 25 out of 86, ratio=0.291
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 11/18 (scale 3.0678448809462131e-06) ***** 
[1] xi(10)=1.00000000015 zeta(11)=0
Stats: nr=16 min=1 max=17 sum3=10513
Emax=10.8390019118 nrkept=25 nrkeptmult=46 
Total energy=-2.35000155752  Egs=-0.299475689134
Kept: 25 out of 91, ratio=0.275
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 12/18 (scale 7.6696122023655329e-07) ***** 
[1] xi(11)=1.00000000001 zeta(12)=0
Stats: nr=15 min=1 max=14 sum3=10488
Safeguard: keep additional 1 states
Emax=13.6431912788 nrkept=12 nrkeptmult=20 
Total energy=-2.35000300679  Egs=-1.88962696433
Kept: 12 out of 90, ratio=0.133
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 13/18 (scale 1.9174030505913832e-07) ***** 
[1] xi(12)=1 zeta(13)=0
Stats: nr=10 min=1 max=10 sum3=1945
Emax=11.8559925627 nrkept=25 nrkeptmult=46 
Total energy=-2.35000305612  Egs=-0.257254558543
Kept: 25 out of 43, ratio=0.581
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 14/18 (scale 4.793507626478458e-08) ***** 
[1] xi(13)=1 zeta(14)=0
Stats: nr=15 min=1 max=14 sum3=10488
Safeguard: keep additional 1 states
Emax=15.8298274849 nrkept=12 nrkeptmult=20 
Total energy=-2.35000314896  Egs=-1.93686328796
Kept: 12 out of 90, ratio=0.133
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 15/18 (scale 1.1983769066196145e-08) ***** 
[1] xi(14)=1 zeta(15)=0
Stats: nr=10 min=1 max=10 sum3=1945
Emax=11.9891346613 nrkept=25 nrkeptmult=46 
Total energy=-2.35000315201  Egs=-0.254210782304
Kept: 25 out of 43, ratio=0.581
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 16/18 (scale 2.9959422665490363e-09) ***** 
[1] xi(15)=1 zeta(16)=0
Stats: nr=15 min=1 max=14 sum3=10488
Safeguard: keep additional 1 states
Emax=15.9893123202 nrkept=12 nrkeptmult=20 
Total energy=-2.35000315782  Egs=-1.93996773008
Kept: 12 out of 90, ratio=0.133
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 17/18 (scale 7.4898556663725907e-10) ***** 
[1] xi(16)=1 zeta(17)=0
Stats: nr=10 min=1 max=10 sum3=1945
Emax=11.9979442641 nrkept=25 nrkeptmult=46 
Total energy=-2.35000315801  Egs=-0.254018367446
Kept: 25 out of 43, ratio=0.581
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 18/18 (scale 1.8724639165931477e-10) ***** 
[1] xi(17)=1 zeta(18)=0
Stats: nr=15 min=1 max=14 sum3=10488
Safeguard: keep additional 1 states
Emax=15.9993457329 nrkept=90 nrkeptmult=184 
Total energy=-2.35000315837  Egs=-1.94016238092
Kept: 90 out of 90, ratio=1
Memory used: 4 MB  Time elapsed: 0 s

** Iteration completed.


Total energy:             -2.350003158371519
TKW=4.1157176265e-05
Grand canonical Z=              1.830700264796316
Zft (last shell)=               1.830702192194347
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=	0.1875
>>  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
0.00412081961457 
(-1 2) 2 states
0.00195606866363 0.0058969939126 
(0 1) 3 states
0 0.00412081961457 0.00785306257623 
(0 3) 1 states
0.00373224296166 
(1 2) 2 states
0.00195606866363 0.0058969939126 
(2 1) 1 states
0.00412081961457 
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 3.2168685138830564) ***** 
[1] xi(0)=0.195411230181 zeta(1)=0
Stats: nr=10 min=1 max=8 sum3=1055
Emax=0.783823659529 nrkept=35 nrkeptmult=64 
Kept: 35 out of 35, ratio=1
Memory used: 5 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 2/18 (scale 0.8042171284707641) ***** 
[1] xi(1)=0.855958306538 zeta(2)=0
Stats: nr=15 min=1 max=20 sum3=30066
Emax=4.73024319691 nrkept=126 nrkeptmult=256 
Kept: 126 out of 126, ratio=1
Memory used: 6 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 3/18 (scale 0.20105428211769102) ***** 
[1] xi(2)=1.47245783038 zeta(3)=0
Stats: nr=21 min=1 max=75 sum3=1007202
Safeguard: keep additional 11 states
Emax=10.5076513126 nrkept=172 nrkeptmult=380 
Kept: 172 out of 462, ratio=0.372
Memory used: 6 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 4/18 (scale 0.050263570529422756) ***** 
[1] xi(3)=1.06968589078 zeta(4)=0
Stats: nr=25 min=1 max=81 sum3=2125724
Safeguard: keep additional 1 states
Emax=12.0510412579 nrkept=88 nrkeptmult=180 
Kept: 88 out of 638, ratio=0.138
Memory used: 6 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 5/18 (scale 0.012565892632355689) ***** 
[1] xi(4)=1.00274932434 zeta(5)=0
Stats: nr=21 min=1 max=51 sum3=323951
Safeguard: keep additional 1 states
Emax=16.0685600901 nrkept=37 nrkeptmult=70 
Kept: 37 out of 323, ratio=0.115
Memory used: 7 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 6/18 (scale 0.0031414731580889223) ***** 
[1] xi(5)=1.00015656959 zeta(6)=0
Stats: nr=15 min=1 max=21 sum3=34502
Safeguard: keep additional 2 states
Emax=10.0839285895 nrkept=69 nrkeptmult=145 
Kept: 69 out of 134, ratio=0.515
Memory used: 7 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 7/18 (scale 0.00078536828952223056) ***** 
[1] xi(6)=1.00000974404 zeta(7)=0
Stats: nr=19 min=1 max=42 sum3=174267
Safeguard: keep additional 1 states
Emax=16.8584442876 nrkept=37 nrkeptmult=70 
Kept: 37 out of 255, ratio=0.145
Memory used: 7 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 8/18 (scale 0.00019634207238055764) ***** 
[1] xi(7)=1.00000060885 zeta(8)=0
Stats: nr=15 min=1 max=21 sum3=34502
Emax=10.0556109289 nrkept=35 nrkeptmult=75 
Kept: 35 out of 134, ratio=0.261
Memory used: 7 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 9/18 (scale 4.908551809513941e-05) ***** 
[1] xi(8)=1.00000003805 zeta(9)=0
Stats: nr=18 min=1 max=23 sum3=26651
Safeguard: keep additional 3 states
Emax=10.4976453689 nrkept=24 nrkeptmult=44 
Kept: 24 out of 131, ratio=0.183
Memory used: 7 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 10/18 (scale 1.2271379523784853e-05) ***** 
[1] xi(9)=1.00000000238 zeta(10)=0
Stats: nr=15 min=1 max=13 sum3=8516
Safeguard: keep additional 2 states
Emax=10.723715047 nrkept=25 nrkeptmult=51 
Kept: 25 out of 86, ratio=0.291
Memory used: 7 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 11/18 (scale 3.0678448809462131e-06) ***** 
[1] xi(10)=1.00000000015 zeta(11)=0
Stats: nr=16 min=1 max=17 sum3=10513
Emax=10.8390019118 nrkept=25 nrkeptmult=46 
Kept: 25 out of 91, ratio=0.275
Memory used: 7 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 12/18 (scale 7.6696122023655329e-07) ***** 
[1] xi(11)=1.00000000001 zeta(12)=0
Stats: nr=15 min=1 max=14 sum3=10488
Safeguard: keep additional 1 states
Emax=13.6431912788 nrkept=12 nrkeptmult=20 
Kept: 12 out of 90, ratio=0.133
Memory used: 7 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 13/18 (scale 1.9174030505913832e-07) ***** 
[1] xi(12)=1 zeta(13)=0
Stats: nr=10 min=1 max=10 sum3=1945
Emax=11.8559925627 nrkept=25 nrkeptmult=46 
Kept: 25 out of 43, ratio=0.581
Memory used: 7 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 14/18 (scale 4.793507626478458e-08) ***** 
[1] xi(13)=1 zeta(14)=0
Stats: nr=15 min=1 max=14 sum3=10488
Safeguard: keep additional 1 states
Emax=15.8298274849 nrkept=12 nrkeptmult=20 
Kept: 12 out of 90, ratio=0.133
Memory used: 7 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 15/18 (scale 1.1983769066196145e-08) ***** 
[1] xi(14)=1 zeta(15)=0
Stats: nr=10 min=1 max=10 sum3=1945
Emax=11.9891346613 nrkept=25 nrkeptmult=46 
Kept: 25 out of 43, ratio=0.581
Memory used: 7 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 16/18 (scale 2.9959422665490363e-09) ***** 
[1] xi(15)=1 zeta(16)=0
Stats: nr=15 min=1 max=14 sum3=10488
Safeguard: keep additional 1 states
Emax=15.9893123202 nrkept=12 nrkeptmult=20 
Kept: 12 out of 90, ratio=0.133
Memory used: 7 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 17/18 (scale 7.4898556663725907e-10) ***** 
[1] xi(16)=1 zeta(17)=0
Stats: nr=10 min=1 max=10 sum3=1945
Emax=11.9979442641 nrkept=25 nrkeptmult=46 
Kept: 25 out of 43, ratio=0.581
Memory used: 7 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 18/18 (scale 1.8724639165931477e-10) ***** 
[1] xi(17)=1 zeta(18)=0
Stats: nr=15 min=1 max=14 sum3=10488
Safeguard: keep additional 1 states
Emax=15.9993457329 nrkept=90 nrkeptmult=184 
Kept: 90 out of 90, ratio=1
Memory used: 7 MB  Time elapsed: 0 s

** Iteration completed.

Spectrum: A_d-A_d FDM
[A_d-A_d] pos=0.500000000005 neg=0.500000000005 sum= 1.00000000001
mu1=-4.94396190653e-17 mu2=0.000664827438331 mu3=-3.87602276664e-18 mu4=0.000252443814033


Memory usage report
===================
  after diag: 7552 kB
after recalc: 7604 kB
 after split: 7552 kB
  after trim: 7604 kB
 after trunc: 7552 kB
      diag_h: 4988 kB

Peak usage: 7604 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
