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=0.4375
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=	0.4375
>>  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=0.4375
# keep=10000 keepenergy=10 Nmax=17 channels=1 dots=1 betabar=1

Number of invariant subspaces: 6
(-2 1) 1 states
0.00824163922915 
(-1 2) 2 states
0.00391213732726 0.0117939878252 
(0 1) 3 states
0 0.00824163922915 0.0157061251525 
(0 3) 1 states
0.00746448592331 
(1 2) 2 states
0.00391213732726 0.0117939878252 
(2 1) 1 states
0.00824163922915 
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 1.6084342569415282) ***** 
[1] xi(0)=0.426526154301 zeta(1)=0
Stats: nr=10 min=1 max=8 sum3=1055
Emax=1.7103583809 nrkept=35 nrkeptmult=64 
Total energy=-1.37299950575  Egs=-0.823766940147
Kept: 35 out of 35, ratio=1
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 2/17 (scale 0.40210856423538205) ***** 
[1] xi(1)=1.08740320176 zeta(2)=0
Stats: nr=15 min=1 max=20 sum3=30066
Emax=8.23089472419 nrkept=126 nrkeptmult=256 
Total energy=-1.65235662996  Egs=-0.694730600289
Kept: 126 out of 126, ratio=1
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 3/17 (scale 0.10052714105884551) ***** 
[1] xi(2)=1.15061812575 zeta(3)=0
Stats: nr=21 min=1 max=75 sum3=1007202
Safeguard: keep additional 1 states
Emax=10.0725444422 nrkept=73 nrkeptmult=154 
Total energy=-1.82877902789  Egs=-1.75497279713
Kept: 73 out of 462, ratio=0.158
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 4/17 (scale 0.025131785264711378) ***** 
[1] xi(3)=1.01356889625 zeta(4)=0
Stats: nr=23 min=1 max=37 sum3=193906
Safeguard: keep additional 1 states
Emax=12.1038981571 nrkept=88 nrkeptmult=180 
Total energy=-1.83993671764  Egs=-0.44396725634
Kept: 88 out of 268, ratio=0.328
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 5/17 (scale 0.0062829463161778445) ***** 
[1] xi(4)=1.00071822088 zeta(5)=0
Stats: nr=21 min=1 max=51 sum3=323951
Safeguard: keep additional 1 states
Emax=16.134207049 nrkept=37 nrkeptmult=70 
Total energy=-1.84842576637  Egs=-1.35112545954
Kept: 37 out of 323, ratio=0.115
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 6/17 (scale 0.0015707365790444611) ***** 
[1] xi(5)=1.0000438639 zeta(6)=0
Stats: nr=15 min=1 max=21 sum3=34502
Emax=10.4080332581 nrkept=57 nrkeptmult=121 
Total energy=-1.84935713707  Egs=-0.592951559274
Kept: 57 out of 134, ratio=0.425
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 7/17 (scale 0.00039268414476111528) ***** 
[1] xi(6)=1.00000273791 zeta(7)=0
Stats: nr=19 min=1 max=34 sum3=93517
Safeguard: keep additional 1 states
Emax=10.2769563952 nrkept=29 nrkeptmult=54 
Total energy=-1.84972713496  Egs=-0.942227728109
Kept: 29 out of 211, ratio=0.137
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 8/17 (scale 9.8171036190278821e-05) ***** 
[1] xi(7)=1.00000017111 zeta(8)=0
Stats: nr=15 min=1 max=16 sum3=15944
Emax=10.6248294116 nrkept=35 nrkeptmult=75 
Total energy=-1.84981808536  Egs=-0.926448387258
Kept: 35 out of 104, ratio=0.337
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 9/17 (scale 2.4542759047569705e-05) ***** 
[1] xi(8)=1.00000001069 zeta(9)=0
Stats: nr=18 min=1 max=23 sum3=26651
Safeguard: keep additional 3 states
Emax=10.0276078121 nrkept=24 nrkeptmult=44 
Total energy=-1.84982980805  Egs=-0.477643308015
Kept: 24 out of 131, ratio=0.183
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 10/17 (scale 6.1356897618924263e-06) ***** 
[1] xi(9)=1.00000000067 zeta(10)=0
Stats: nr=15 min=1 max=13 sum3=8516
Safeguard: keep additional 1 states
Emax=10.0712742079 nrkept=19 nrkeptmult=37 
Total energy=-1.84983984638  Egs=-1.63605593912
Kept: 19 out of 86, ratio=0.221
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 11/17 (scale 1.5339224404731066e-06) ***** 
[1] xi(10)=1.00000000004 zeta(11)=0
Stats: nr=14 min=1 max=15 sum3=6322
Emax=11.1965615544 nrkept=25 nrkeptmult=46 
Total energy=-1.84984027339  Egs=-0.278381571888
Kept: 25 out of 70, ratio=0.357
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 12/17 (scale 3.8348061011827664e-07) ***** 
[1] xi(11)=1 zeta(12)=0
Stats: nr=15 min=1 max=14 sum3=10488
Safeguard: keep additional 1 states
Emax=14.7121791781 nrkept=12 nrkeptmult=20 
Total energy=-1.84984100741  Egs=-1.91410000171
Kept: 12 out of 90, ratio=0.133
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 13/17 (scale 9.5870152529569161e-08) ***** 
[1] xi(12)=1 zeta(13)=0
Stats: nr=10 min=1 max=10 sum3=1945
Emax=11.9248330929 nrkept=25 nrkeptmult=46 
Total energy=-1.84984103192  Egs=-0.255648037946
Kept: 25 out of 43, ratio=0.581
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 14/17 (scale 2.396753813239229e-08) ***** 
[1] xi(13)=1 zeta(14)=0
Stats: nr=15 min=1 max=14 sum3=10488
Safeguard: keep additional 1 states
Emax=15.9142045638 nrkept=12 nrkeptmult=20 
Total energy=-1.84984107838  Egs=-1.93850582706
Kept: 12 out of 90, ratio=0.133
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 15/17 (scale 5.9918845330980725e-09) ***** 
[1] xi(14)=1 zeta(15)=0
Stats: nr=10 min=1 max=10 sum3=1945
Emax=11.9938005247 nrkept=25 nrkeptmult=46 
Total energy=-1.84984107991  Egs=-0.254108745695
Kept: 25 out of 43, ratio=0.581
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 16/17 (scale 1.4979711332745181e-09) ***** 
[1] xi(15)=1 zeta(16)=0
Stats: nr=15 min=1 max=14 sum3=10488
Safeguard: keep additional 1 states
Emax=15.9946358491 nrkept=12 nrkeptmult=20 
Total energy=-1.84984108281  Egs=-1.94007085723
Kept: 12 out of 90, ratio=0.133
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 17/17 (scale 3.7449278331862953e-10) ***** 
[1] xi(16)=1 zeta(17)=0
Stats: nr=10 min=1 max=10 sum3=1945
Emax=11.9982373525 nrkept=43 nrkeptmult=80 
Total energy=-1.84984108291  Egs=-0.254011983984
Kept: 43 out of 43, ratio=1
Memory used: 4 MB  Time elapsed: 0 s

** Iteration completed.


Total energy:             -1.849841082907882
TKW=5.46244697264e-06
Grand canonical Z=              3.999987241928138
Zft (last shell)=               3.999989779343033
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=	0.4375
>>  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
0.00824163922915 
(-1 2) 2 states
0.00391213732726 0.0117939878252 
(0 1) 3 states
0 0.00824163922915 0.0157061251525 
(0 3) 1 states
0.00746448592331 
(1 2) 2 states
0.00391213732726 0.0117939878252 
(2 1) 1 states
0.00824163922915 
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 1.6084342569415282) ***** 
[1] xi(0)=0.426526154301 zeta(1)=0
Stats: nr=10 min=1 max=8 sum3=1055
Emax=1.7103583809 nrkept=35 nrkeptmult=64 
Kept: 35 out of 35, ratio=1
Memory used: 5 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 2/17 (scale 0.40210856423538205) ***** 
[1] xi(1)=1.08740320176 zeta(2)=0
Stats: nr=15 min=1 max=20 sum3=30066
Emax=8.23089472419 nrkept=126 nrkeptmult=256 
Kept: 126 out of 126, ratio=1
Memory used: 5 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 3/17 (scale 0.10052714105884551) ***** 
[1] xi(2)=1.15061812575 zeta(3)=0
Stats: nr=21 min=1 max=75 sum3=1007202
Safeguard: keep additional 1 states
Emax=10.0725444422 nrkept=73 nrkeptmult=154 
Kept: 73 out of 462, ratio=0.158
Memory used: 6 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 4/17 (scale 0.025131785264711378) ***** 
[1] xi(3)=1.01356889625 zeta(4)=0
Stats: nr=23 min=1 max=37 sum3=193906
Safeguard: keep additional 1 states
Emax=12.1038981571 nrkept=88 nrkeptmult=180 
Kept: 88 out of 268, ratio=0.328
Memory used: 6 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 5/17 (scale 0.0062829463161778445) ***** 
[1] xi(4)=1.00071822088 zeta(5)=0
Stats: nr=21 min=1 max=51 sum3=323951
Safeguard: keep additional 1 states
Emax=16.134207049 nrkept=37 nrkeptmult=70 
Kept: 37 out of 323, ratio=0.115
Memory used: 6 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 6/17 (scale 0.0015707365790444611) ***** 
[1] xi(5)=1.0000438639 zeta(6)=0
Stats: nr=15 min=1 max=21 sum3=34502
Emax=10.4080332581 nrkept=57 nrkeptmult=121 
Kept: 57 out of 134, ratio=0.425
Memory used: 6 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 7/17 (scale 0.00039268414476111528) ***** 
[1] xi(6)=1.00000273791 zeta(7)=0
Stats: nr=19 min=1 max=34 sum3=93517
Safeguard: keep additional 1 states
Emax=10.2769563952 nrkept=29 nrkeptmult=54 
Kept: 29 out of 211, ratio=0.137
Memory used: 6 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 8/17 (scale 9.8171036190278821e-05) ***** 
[1] xi(7)=1.00000017111 zeta(8)=0
Stats: nr=15 min=1 max=16 sum3=15944
Emax=10.6248294116 nrkept=35 nrkeptmult=75 
Kept: 35 out of 104, ratio=0.337
Memory used: 6 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 9/17 (scale 2.4542759047569705e-05) ***** 
[1] xi(8)=1.00000001069 zeta(9)=0
Stats: nr=18 min=1 max=23 sum3=26651
Safeguard: keep additional 3 states
Emax=10.0276078121 nrkept=24 nrkeptmult=44 
Kept: 24 out of 131, ratio=0.183
Memory used: 6 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 10/17 (scale 6.1356897618924263e-06) ***** 
[1] xi(9)=1.00000000067 zeta(10)=0
Stats: nr=15 min=1 max=13 sum3=8516
Safeguard: keep additional 1 states
Emax=10.0712742079 nrkept=19 nrkeptmult=37 
Kept: 19 out of 86, ratio=0.221
Memory used: 6 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 11/17 (scale 1.5339224404731066e-06) ***** 
[1] xi(10)=1.00000000004 zeta(11)=0
Stats: nr=14 min=1 max=15 sum3=6322
Emax=11.1965615544 nrkept=25 nrkeptmult=46 
Kept: 25 out of 70, ratio=0.357
Memory used: 6 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 12/17 (scale 3.8348061011827664e-07) ***** 
[1] xi(11)=1 zeta(12)=0
Stats: nr=15 min=1 max=14 sum3=10488
Safeguard: keep additional 1 states
Emax=14.7121791781 nrkept=12 nrkeptmult=20 
Kept: 12 out of 90, ratio=0.133
Memory used: 6 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 13/17 (scale 9.5870152529569161e-08) ***** 
[1] xi(12)=1 zeta(13)=0
Stats: nr=10 min=1 max=10 sum3=1945
Emax=11.9248330929 nrkept=25 nrkeptmult=46 
Kept: 25 out of 43, ratio=0.581
Memory used: 6 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 14/17 (scale 2.396753813239229e-08) ***** 
[1] xi(13)=1 zeta(14)=0
Stats: nr=15 min=1 max=14 sum3=10488
Safeguard: keep additional 1 states
Emax=15.9142045638 nrkept=12 nrkeptmult=20 
Kept: 12 out of 90, ratio=0.133
Memory used: 6 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 15/17 (scale 5.9918845330980725e-09) ***** 
[1] xi(14)=1 zeta(15)=0
Stats: nr=10 min=1 max=10 sum3=1945
Emax=11.9938005247 nrkept=25 nrkeptmult=46 
Kept: 25 out of 43, ratio=0.581
Memory used: 6 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 16/17 (scale 1.4979711332745181e-09) ***** 
[1] xi(15)=1 zeta(16)=0
Stats: nr=15 min=1 max=14 sum3=10488
Safeguard: keep additional 1 states
Emax=15.9946358491 nrkept=12 nrkeptmult=20 
Kept: 12 out of 90, ratio=0.133
Memory used: 6 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 17/17 (scale 3.7449278331862953e-10) ***** 
[1] xi(16)=1 zeta(17)=0
Stats: nr=10 min=1 max=10 sum3=1945
Emax=11.9982373525 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=0.500000000024 neg=0.500000000024 sum= 1.00000000005
mu1=9.58434720477e-17 mu2=0.000663479325796 mu3=-8.40256683676e-19 mu4=0.00030065233737


Memory usage report
===================
  after diag: 6708 kB
after recalc: 6760 kB
 after split: 6712 kB
  after trim: 6760 kB
 after trunc: 6708 kB
      diag_h: 4732 kB

Peak usage: 6760 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
