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=17
TEMPERATURE T=1e-10
Nmax=17
Tmin=1e-10
Ninit=0
Lambda=16
strategy=kept
lastall=1
lastalloverride=0
z=0.8125
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=	0.8125
>>  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=0.8125
# keep=10000 keepenergy=10 Nmax=17 channels=1 dots=1 betabar=1

Number of invariant subspaces: 6
(-2 1) 1 states
0.0233108759481 
(-1 2) 2 states
0.0110651953322 0.0333584350737 
(0 1) 3 states
0 0.0233108759481 0.0444236304059 
(0 3) 1 states
0.0211127544578 
(1 2) 2 states
0.0110651953322 0.0333584350737 
(2 1) 1 states
0.0233108759481 
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 1/17 (scale 0.56866738508805015) ***** 
[1] xi(0)=0.849054866811 zeta(1)=0
Stats: nr=10 min=1 max=8 sum3=1055
Emax=3.40959867385 nrkept=35 nrkeptmult=64 
Total energy=-0.96696378103  Egs=-1.61595207611
Kept: 35 out of 35, ratio=1
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 2/17 (scale 0.14216684627201254) ***** 
[1] xi(1)=1.15804556955 zeta(2)=0
Stats: nr=15 min=1 max=20 sum3=30066
Safeguard: keep additional 1 states
Emax=10.7764757396 nrkept=88 nrkeptmult=180 
Total energy=-1.03532925486  Egs=-0.480881975113
Kept: 88 out of 126, ratio=0.698
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 3/17 (scale 0.035541711568003134) ***** 
[1] xi(2)=1.02307312102 zeta(3)=0
Stats: nr=21 min=1 max=51 sum3=323951
Safeguard: keep additional 1 states
Emax=14.3722823929 nrkept=37 nrkeptmult=70 
Total energy=-1.09212905519  Egs=-1.59811663036
Kept: 37 out of 323, ratio=0.115
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 4/17 (scale 0.0088854278920007836) ***** 
[1] xi(3)=1.00101648492 zeta(4)=0
Stats: nr=15 min=1 max=21 sum3=34502
Safeguard: keep additional 1 states
Emax=12.2969954644 nrkept=88 nrkeptmult=180 
Total energy=-1.09655655782  Egs=-0.498288060198
Kept: 88 out of 134, ratio=0.657
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 5/17 (scale 0.0022213569730001959) ***** 
[1] xi(4)=1.00005825302 zeta(5)=0
Stats: nr=21 min=1 max=51 sum3=323951
Safeguard: keep additional 1 states
Emax=16.3540841651 nrkept=37 nrkeptmult=70 
Total energy=-1.09921892886  Egs=-1.19853363294
Kept: 37 out of 323, ratio=0.115
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 6/17 (scale 0.00055533924325004897) ***** 
[1] xi(5)=1.00000362023 zeta(6)=0
Stats: nr=15 min=1 max=21 sum3=34502
Emax=10.1900167234 nrkept=39 nrkeptmult=89 
Total energy=-1.09959383644  Egs=-0.675096495026
Kept: 39 out of 134, ratio=0.291
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 7/17 (scale 0.00013883481081251224) ***** 
[1] xi(6)=1.00000022619 zeta(7)=0
Stats: nr=19 min=1 max=24 sum3=31790
Safeguard: keep additional 2 states
Emax=10.0006176531 nrkept=20 nrkeptmult=40 
Total energy=-1.09969988225  Egs=-0.763827268218
Kept: 20 out of 146, ratio=0.137
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 8/17 (scale 3.4708702703128061e-05) ***** 
[1] xi(7)=1.00000001414 zeta(8)=0
Stats: nr=13 min=1 max=12 sum3=6236
Safeguard: keep additional 2 states
Emax=10.052961046 nrkept=34 nrkeptmult=72 
Total energy=-1.09974073928  Egs=-1.17714079834
Kept: 34 out of 74, ratio=0.459
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 9/17 (scale 8.6771756757820152e-06) ***** 
[1] xi(8)=1.00000000088 zeta(9)=0
Stats: nr=18 min=1 max=22 sum3=23701
Emax=10.4795910359 nrkept=25 nrkeptmult=46 
Total energy=-1.09974387801  Egs=-0.361722213574
Kept: 25 out of 127, ratio=0.197
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 10/17 (scale 2.1692939189455038e-06) ***** 
[1] xi(9)=1.00000000006 zeta(10)=0
Stats: nr=15 min=1 max=14 sum3=10488
Safeguard: keep additional 1 states
Emax=11.1376939411 nrkept=12 nrkeptmult=20 
Total energy=-1.09974780272  Egs=-1.80920937186
Kept: 12 out of 90, ratio=0.133
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 11/17 (scale 5.4232347973637595e-07) ***** 
[1] xi(10)=1 zeta(11)=0
Stats: nr=10 min=1 max=10 sum3=1945
Emax=11.6343923553 nrkept=25 nrkeptmult=46 
Total energy=-1.09974794534  Egs=-0.262996407084
Kept: 25 out of 43, ratio=0.581
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 12/17 (scale 1.3558086993409399e-07) ***** 
[1] xi(11)=1 zeta(12)=0
Stats: nr=15 min=1 max=14 sum3=10488
Safeguard: keep additional 1 states
Emax=15.5261446761 nrkept=12 nrkeptmult=20 
Total energy=-1.09974820714  Egs=-1.93088921742
Kept: 12 out of 90, ratio=0.133
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 13/17 (scale 3.3895217483523497e-08) ***** 
[1] xi(12)=1 zeta(13)=0
Stats: nr=10 min=1 max=10 sum3=1945
Emax=11.9721795729 nrkept=25 nrkeptmult=46 
Total energy=-1.09974821577  Egs=-0.254584054556
Kept: 25 out of 43, ratio=0.581
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 14/17 (scale 8.4738043708808742e-09) ***** 
[1] xi(13)=1 zeta(14)=0
Stats: nr=15 min=1 max=14 sum3=10488
Safeguard: keep additional 1 states
Emax=15.969822988 nrkept=12 nrkeptmult=20 
Total energy=-1.0997482322  Egs=-1.93959000047
Kept: 12 out of 90, ratio=0.133
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 15/17 (scale 2.1184510927202186e-09) ***** 
[1] xi(14)=1 zeta(15)=0
Stats: nr=10 min=1 max=10 sum3=1945
Emax=11.9968708306 nrkept=25 nrkeptmult=46 
Total energy=-1.09974823274  Egs=-0.254041756592
Kept: 25 out of 43, ratio=0.581
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 16/17 (scale 5.2961277318005464e-10) ***** 
[1] xi(15)=1 zeta(16)=0
Stats: nr=15 min=1 max=14 sum3=10488
Safeguard: keep additional 1 states
Emax=15.998126 nrkept=12 nrkeptmult=20 
Total energy=-1.09974823377  Egs=-1.94013875642
Kept: 12 out of 90, ratio=0.133
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 17/17 (scale 1.3240319329501366e-10) ***** 
[1] xi(16)=1 zeta(17)=0
Stats: nr=10 min=1 max=10 sum3=1945
Emax=11.9984296789 nrkept=43 nrkeptmult=80 
Total energy=-1.0997482338  Egs=-0.254007795476
Kept: 43 out of 43, ratio=1
Memory used: 4 MB  Time elapsed: 0 s

** Iteration completed.


Total energy:             -1.099748233800349
TKW=1.59455894805e-05
Grand canonical Z=               4.08083114232163
Zft (last shell)=               4.080833713482408
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=	0.8125
>>  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
0.0233108759481 
(-1 2) 2 states
0.0110651953322 0.0333584350737 
(0 1) 3 states
0 0.0233108759481 0.0444236304059 
(0 3) 1 states
0.0211127544578 
(1 2) 2 states
0.0110651953322 0.0333584350737 
(2 1) 1 states
0.0233108759481 
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 1/17 (scale 0.56866738508805015) ***** 
[1] xi(0)=0.849054866811 zeta(1)=0
Stats: nr=10 min=1 max=8 sum3=1055
Emax=3.40959867385 nrkept=35 nrkeptmult=64 
Kept: 35 out of 35, ratio=1
Memory used: 4 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 2/17 (scale 0.14216684627201254) ***** 
[1] xi(1)=1.15804556955 zeta(2)=0
Stats: nr=15 min=1 max=20 sum3=30066
Safeguard: keep additional 1 states
Emax=10.7764757396 nrkept=88 nrkeptmult=180 
Kept: 88 out of 126, ratio=0.698
Memory used: 4 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 3/17 (scale 0.035541711568003134) ***** 
[1] xi(2)=1.02307312102 zeta(3)=0
Stats: nr=21 min=1 max=51 sum3=323951
Safeguard: keep additional 1 states
Emax=14.3722823929 nrkept=37 nrkeptmult=70 
Kept: 37 out of 323, ratio=0.115
Memory used: 4 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 4/17 (scale 0.0088854278920007836) ***** 
[1] xi(3)=1.00101648492 zeta(4)=0
Stats: nr=15 min=1 max=21 sum3=34502
Safeguard: keep additional 1 states
Emax=12.2969954644 nrkept=88 nrkeptmult=180 
Kept: 88 out of 134, ratio=0.657
Memory used: 4 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 5/17 (scale 0.0022213569730001959) ***** 
[1] xi(4)=1.00005825302 zeta(5)=0
Stats: nr=21 min=1 max=51 sum3=323951
Safeguard: keep additional 1 states
Emax=16.3540841651 nrkept=37 nrkeptmult=70 
Kept: 37 out of 323, ratio=0.115
Memory used: 5 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 6/17 (scale 0.00055533924325004897) ***** 
[1] xi(5)=1.00000362023 zeta(6)=0
Stats: nr=15 min=1 max=21 sum3=34502
Emax=10.1900167234 nrkept=39 nrkeptmult=89 
Kept: 39 out of 134, ratio=0.291
Memory used: 5 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 7/17 (scale 0.00013883481081251224) ***** 
[1] xi(6)=1.00000022619 zeta(7)=0
Stats: nr=19 min=1 max=24 sum3=31790
Safeguard: keep additional 2 states
Emax=10.0006176531 nrkept=20 nrkeptmult=40 
Kept: 20 out of 146, ratio=0.137
Memory used: 5 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 8/17 (scale 3.4708702703128061e-05) ***** 
[1] xi(7)=1.00000001414 zeta(8)=0
Stats: nr=13 min=1 max=12 sum3=6236
Safeguard: keep additional 2 states
Emax=10.052961046 nrkept=34 nrkeptmult=72 
Kept: 34 out of 74, ratio=0.459
Memory used: 5 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 9/17 (scale 8.6771756757820152e-06) ***** 
[1] xi(8)=1.00000000088 zeta(9)=0
Stats: nr=18 min=1 max=22 sum3=23701
Emax=10.4795910359 nrkept=25 nrkeptmult=46 
Kept: 25 out of 127, ratio=0.197
Memory used: 5 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 10/17 (scale 2.1692939189455038e-06) ***** 
[1] xi(9)=1.00000000006 zeta(10)=0
Stats: nr=15 min=1 max=14 sum3=10488
Safeguard: keep additional 1 states
Emax=11.1376939411 nrkept=12 nrkeptmult=20 
Kept: 12 out of 90, ratio=0.133
Memory used: 5 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 11/17 (scale 5.4232347973637595e-07) ***** 
[1] xi(10)=1 zeta(11)=0
Stats: nr=10 min=1 max=10 sum3=1945
Emax=11.6343923553 nrkept=25 nrkeptmult=46 
Kept: 25 out of 43, ratio=0.581
Memory used: 5 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 12/17 (scale 1.3558086993409399e-07) ***** 
[1] xi(11)=1 zeta(12)=0
Stats: nr=15 min=1 max=14 sum3=10488
Safeguard: keep additional 1 states
Emax=15.5261446761 nrkept=12 nrkeptmult=20 
Kept: 12 out of 90, ratio=0.133
Memory used: 5 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 13/17 (scale 3.3895217483523497e-08) ***** 
[1] xi(12)=1 zeta(13)=0
Stats: nr=10 min=1 max=10 sum3=1945
Emax=11.9721795729 nrkept=25 nrkeptmult=46 
Kept: 25 out of 43, ratio=0.581
Memory used: 5 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 14/17 (scale 8.4738043708808742e-09) ***** 
[1] xi(13)=1 zeta(14)=0
Stats: nr=15 min=1 max=14 sum3=10488
Safeguard: keep additional 1 states
Emax=15.969822988 nrkept=12 nrkeptmult=20 
Kept: 12 out of 90, ratio=0.133
Memory used: 5 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 15/17 (scale 2.1184510927202186e-09) ***** 
[1] xi(14)=1 zeta(15)=0
Stats: nr=10 min=1 max=10 sum3=1945
Emax=11.9968708306 nrkept=25 nrkeptmult=46 
Kept: 25 out of 43, ratio=0.581
Memory used: 5 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 16/17 (scale 5.2961277318005464e-10) ***** 
[1] xi(15)=1 zeta(16)=0
Stats: nr=15 min=1 max=14 sum3=10488
Safeguard: keep additional 1 states
Emax=15.998126 nrkept=12 nrkeptmult=20 
Kept: 12 out of 90, ratio=0.133
Memory used: 5 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 17/17 (scale 1.3240319329501366e-10) ***** 
[1] xi(16)=1 zeta(17)=0
Stats: nr=10 min=1 max=10 sum3=1945
Emax=11.9984296789 nrkept=43 nrkeptmult=80 
Kept: 43 out of 43, ratio=1
Memory used: 5 MB  Time elapsed: 0 s

** Iteration completed.

Spectrum: A_d-A_d FDM
[A_d-A_d] pos=0.500000030688 neg=0.499999969328 sum= 1.00000000002
mu1=-2.60208521397e-18 mu2=0.000667921743248 mu3=-4.06575814682e-19 mu4=0.000151543252464


Memory usage report
===================
  after diag: 5412 kB
after recalc: 5452 kB
 after split: 5412 kB
  after trim: 5452 kB
 after trunc: 5412 kB
      diag_h: 4540 kB

Peak usage: 5452 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
