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=20
TEMPERATURE T=1e-10
Nmax=20
Tmin=1e-10
Ninit=0
Lambda=12
strategy=kept
lastall=1
lastalloverride=0
z=0.0625
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=	0.0625
>>  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=0.0625
# keep=10000 keepenergy=10 Nmax=20 channels=1 dots=1 betabar=1

Number of invariant subspaces: 6
(-2 1) 1 states
0.00403880144813 
(-1 2) 2 states
0.00191713632001 0.00577962390529 
(0 1) 3 states
0 0.00403880144813 0.0076967602253 
(0 3) 1 states
0.00365795877718 
(1 2) 2 states
0.00191713632001 0.00577962390529 
(2 1) 1 states
0.00403880144813 
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 1/20 (scale 3.7899526053115191) ***** 
[1] xi(0)=0.123998665974 zeta(1)=0
Stats: nr=10 min=1 max=8 sum3=1055
Emax=0.498020800858 nrkept=35 nrkeptmult=64 
Total energy=-0.941237615856  Egs=-0.235679220665
Kept: 35 out of 35, ratio=1
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 2/20 (scale 1.0940650784462644) ***** 
[1] xi(1)=0.615797522571 zeta(2)=0
Stats: nr=15 min=1 max=20 sum3=30066
Emax=3.07948708821 nrkept=126 nrkeptmult=256 
Total energy=-1.68207964137  Egs=-0.677146213792
Kept: 126 out of 126, ratio=1
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 3/20 (scale 0.31582938377595993) ***** 
[1] xi(2)=2.00355085763 zeta(3)=0
Stats: nr=21 min=1 max=75 sum3=1007202
Safeguard: keep additional 4 states
Emax=10.0920064071 nrkept=315 nrkeptmult=708 
Total energy=-2.58637813335  Egs=-2.86325002812
Kept: 315 out of 462, ratio=0.682
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 4/20 (scale 0.091172089870522041) ***** 
[1] xi(3)=1.35699622328 zeta(4)=0
Stats: nr=28 min=1 max=141 sum3=11318128
Safeguard: keep additional 1 states
Emax=10.4146709944 nrkept=88 nrkeptmult=180 
Total energy=-2.63496095919  Egs=-0.532869498956
Kept: 88 out of 1174, ratio=0.075
Memory used: 7 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 5/20 (scale 0.026319115314663327) ***** 
[1] xi(4)=1.01180543633 zeta(5)=0
Stats: nr=21 min=1 max=51 sum3=323951
Safeguard: keep additional 1 states
Emax=12.0295847889 nrkept=37 nrkeptmult=70 
Total energy=-2.67595045691  Egs=-1.55740408529
Kept: 37 out of 323, ratio=0.115
Memory used: 7 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 6/20 (scale 0.0075976741558768371) ***** 
[1] xi(5)=1.00065766362 zeta(6)=0
Stats: nr=15 min=1 max=21 sum3=34502
Safeguard: keep additional 1 states
Emax=10.7045128833 nrkept=88 nrkeptmult=180 
Total energy=-2.68016842793  Egs=-0.555166085689
Kept: 88 out of 134, ratio=0.657
Memory used: 7 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 7/20 (scale 0.0021932596095552773) ***** 
[1] xi(6)=1.00005389684 zeta(7)=0
Stats: nr=21 min=1 max=51 sum3=323951
Safeguard: keep additional 1 states
Emax=12.3100808498 nrkept=37 nrkeptmult=70 
Total energy=-2.68284416932  Egs=-1.21998388849
Kept: 37 out of 323, ratio=0.115
Memory used: 7 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 8/20 (scale 0.00063313951298973642) ***** 
[1] xi(7)=1.00000448686 zeta(8)=0
Stats: nr=15 min=1 max=21 sum3=34502
Safeguard: keep additional 2 states
Emax=10.1459493469 nrkept=47 nrkeptmult=99 
Total energy=-2.68329770143  Egs=-0.716322558779
Kept: 47 out of 134, ratio=0.351
Memory used: 7 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 9/20 (scale 0.00018277163412960641) ***** 
[1] xi(8)=1.00000037387 zeta(9)=0
Stats: nr=19 min=1 max=28 sum3=52804
Emax=10.7645913017 nrkept=33 nrkeptmult=62 
Total energy=-2.68345249154  Egs=-0.846904415055
Kept: 33 out of 172, ratio=0.192
Memory used: 7 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 10/20 (scale 5.2761626082478035e-05) ***** 
[1] xi(9)=1.00000003116 zeta(10)=0
Stats: nr=15 min=1 max=19 sum3=25074
Emax=10.1159067693 nrkept=38 nrkeptmult=88 
Total energy=-2.68351174583  Egs=-1.12305667185
Kept: 38 out of 120, ratio=0.317
Memory used: 7 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 11/20 (scale 1.5230969510800536e-05) ***** 
[1] xi(10)=1.0000000026 zeta(11)=0
Stats: nr=19 min=1 max=23 sum3=29039
Emax=11.3784107615 nrkept=33 nrkeptmult=62 
Total energy=-2.6835186209  Egs=-0.45138721425
Kept: 33 out of 143, ratio=0.231
Memory used: 7 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 12/20 (scale 4.3968021735398363e-06) ***** 
[1] xi(11)=1.00000000022 zeta(12)=0
Stats: nr=15 min=1 max=19 sum3=25074
Emax=10.0292382124 nrkept=22 nrkeptmult=48 
Total energy=-2.68352617926  Egs=-1.71905864567
Kept: 22 out of 120, ratio=0.183
Memory used: 7 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 13/20 (scale 1.2692474592333781e-06) ***** 
[1] xi(12)=1.00000000002 zeta(13)=0
Stats: nr=16 min=1 max=16 sum3=8224
Safeguard: keep additional 2 states
Emax=10.0029803156 nrkept=30 nrkeptmult=58 
Total energy=-2.68352657742  Egs=-0.313695874131
Kept: 30 out of 82, ratio=0.366
Memory used: 7 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 14/20 (scale 3.6640018112831969e-07) ***** 
[1] xi(13)=1 zeta(14)=0
Stats: nr=15 min=1 max=17 sum3=17660
Safeguard: keep additional 1 states
Emax=11.379776281 nrkept=12 nrkeptmult=20 
Total energy=-2.68352727379  Egs=-1.90059265854
Kept: 12 out of 110, ratio=0.109
Memory used: 7 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 15/20 (scale 1.057706216027815e-07) ***** 
[1] xi(14)=1 zeta(15)=0
Stats: nr=10 min=1 max=10 sum3=1945
Emax=10.3340004895 nrkept=25 nrkeptmult=46 
Total energy=-2.68352730516  Egs=-0.29653082883
Kept: 25 out of 43, ratio=0.581
Memory used: 7 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 16/20 (scale 3.053334842735997e-08) ***** 
[1] xi(15)=1 zeta(16)=0
Stats: nr=15 min=1 max=14 sum3=10488
Safeguard: keep additional 1 states
Emax=11.9463128932 nrkept=12 nrkeptmult=20 
Total energy=-2.68352736377  Egs=-1.91952906813
Kept: 12 out of 90, ratio=0.133
Memory used: 7 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 17/20 (scale 8.8142184668984575e-09) ***** 
[1] xi(16)=1 zeta(17)=0
Stats: nr=10 min=1 max=10 sum3=1945
Emax=10.3845966586 nrkept=25 nrkeptmult=46 
Total energy=-2.68352736637  Egs=-0.295017665451
Kept: 25 out of 43, ratio=0.581
Memory used: 7 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 18/20 (scale 2.5444457022799977e-09) ***** 
[1] xi(17)=1 zeta(18)=0
Stats: nr=15 min=1 max=14 sum3=10488
Safeguard: keep additional 1 states
Emax=11.9955580159 nrkept=12 nrkeptmult=20 
Total energy=-2.68352737126  Egs=-1.92114036486
Kept: 12 out of 90, ratio=0.133
Memory used: 7 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 19/20 (scale 7.3451820557487153e-10) ***** 
[1] xi(18)=1 zeta(19)=0
Stats: nr=10 min=1 max=10 sum3=1945
Emax=10.388901017 nrkept=25 nrkeptmult=46 
Total energy=-2.68352737147  Egs=-0.294890934923
Kept: 25 out of 43, ratio=0.581
Memory used: 7 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 20/20 (scale 2.120371418566665e-10) ***** 
[1] xi(19)=1 zeta(20)=0
Stats: nr=15 min=1 max=14 sum3=10488
Safeguard: keep additional 1 states
Emax=11.9996724962 nrkept=90 nrkeptmult=184 
Total energy=-2.68352737188  Egs=-1.92127485284
Kept: 90 out of 90, ratio=1
Memory used: 7 MB  Time elapsed: 0 s

** Iteration completed.


Total energy:              -2.68352737187906
TKW=4.4802088803e-05
Grand canonical Z=                 1.638571924022
Zft (last shell)=               1.638572173555375
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=	0.0625
>>  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
0.00403880144813 
(-1 2) 2 states
0.00191713632001 0.00577962390529 
(0 1) 3 states
0 0.00403880144813 0.0076967602253 
(0 3) 1 states
0.00365795877718 
(1 2) 2 states
0.00191713632001 0.00577962390529 
(2 1) 1 states
0.00403880144813 
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 1/20 (scale 3.7899526053115191) ***** 
[1] xi(0)=0.123998665974 zeta(1)=0
Stats: nr=10 min=1 max=8 sum3=1055
Emax=0.498020800858 nrkept=35 nrkeptmult=64 
Kept: 35 out of 35, ratio=1
Memory used: 9 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 2/20 (scale 1.0940650784462644) ***** 
[1] xi(1)=0.615797522571 zeta(2)=0
Stats: nr=15 min=1 max=20 sum3=30066
Emax=3.07948708821 nrkept=126 nrkeptmult=256 
Kept: 126 out of 126, ratio=1
Memory used: 9 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 3/20 (scale 0.31582938377595993) ***** 
[1] xi(2)=2.00355085763 zeta(3)=0
Stats: nr=21 min=1 max=75 sum3=1007202
Safeguard: keep additional 4 states
Emax=10.0920064071 nrkept=315 nrkeptmult=708 
Kept: 315 out of 462, ratio=0.682
Memory used: 9 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 4/20 (scale 0.091172089870522041) ***** 
[1] xi(3)=1.35699622328 zeta(4)=0
Stats: nr=28 min=1 max=141 sum3=11318128
Safeguard: keep additional 1 states
Emax=10.4146709944 nrkept=88 nrkeptmult=180 
Kept: 88 out of 1174, ratio=0.075
Memory used: 11 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 5/20 (scale 0.026319115314663327) ***** 
[1] xi(4)=1.01180543633 zeta(5)=0
Stats: nr=21 min=1 max=51 sum3=323951
Safeguard: keep additional 1 states
Emax=12.0295847889 nrkept=37 nrkeptmult=70 
Kept: 37 out of 323, ratio=0.115
Memory used: 11 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 6/20 (scale 0.0075976741558768371) ***** 
[1] xi(5)=1.00065766362 zeta(6)=0
Stats: nr=15 min=1 max=21 sum3=34502
Safeguard: keep additional 1 states
Emax=10.7045128833 nrkept=88 nrkeptmult=180 
Kept: 88 out of 134, ratio=0.657
Memory used: 11 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 7/20 (scale 0.0021932596095552773) ***** 
[1] xi(6)=1.00005389684 zeta(7)=0
Stats: nr=21 min=1 max=51 sum3=323951
Safeguard: keep additional 1 states
Emax=12.3100808498 nrkept=37 nrkeptmult=70 
Kept: 37 out of 323, ratio=0.115
Memory used: 11 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 8/20 (scale 0.00063313951298973642) ***** 
[1] xi(7)=1.00000448686 zeta(8)=0
Stats: nr=15 min=1 max=21 sum3=34502
Safeguard: keep additional 2 states
Emax=10.1459493469 nrkept=47 nrkeptmult=99 
Kept: 47 out of 134, ratio=0.351
Memory used: 11 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 9/20 (scale 0.00018277163412960641) ***** 
[1] xi(8)=1.00000037387 zeta(9)=0
Stats: nr=19 min=1 max=28 sum3=52804
Emax=10.7645913017 nrkept=33 nrkeptmult=62 
Kept: 33 out of 172, ratio=0.192
Memory used: 11 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 10/20 (scale 5.2761626082478035e-05) ***** 
[1] xi(9)=1.00000003116 zeta(10)=0
Stats: nr=15 min=1 max=19 sum3=25074
Emax=10.1159067693 nrkept=38 nrkeptmult=88 
Kept: 38 out of 120, ratio=0.317
Memory used: 11 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 11/20 (scale 1.5230969510800536e-05) ***** 
[1] xi(10)=1.0000000026 zeta(11)=0
Stats: nr=19 min=1 max=23 sum3=29039
Emax=11.3784107615 nrkept=33 nrkeptmult=62 
Kept: 33 out of 143, ratio=0.231
Memory used: 11 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 12/20 (scale 4.3968021735398363e-06) ***** 
[1] xi(11)=1.00000000022 zeta(12)=0
Stats: nr=15 min=1 max=19 sum3=25074
Emax=10.0292382124 nrkept=22 nrkeptmult=48 
Kept: 22 out of 120, ratio=0.183
Memory used: 11 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 13/20 (scale 1.2692474592333781e-06) ***** 
[1] xi(12)=1.00000000002 zeta(13)=0
Stats: nr=16 min=1 max=16 sum3=8224
Safeguard: keep additional 2 states
Emax=10.0029803156 nrkept=30 nrkeptmult=58 
Kept: 30 out of 82, ratio=0.366
Memory used: 11 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 14/20 (scale 3.6640018112831969e-07) ***** 
[1] xi(13)=1 zeta(14)=0
Stats: nr=15 min=1 max=17 sum3=17660
Safeguard: keep additional 1 states
Emax=11.379776281 nrkept=12 nrkeptmult=20 
Kept: 12 out of 110, ratio=0.109
Memory used: 11 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 15/20 (scale 1.057706216027815e-07) ***** 
[1] xi(14)=1 zeta(15)=0
Stats: nr=10 min=1 max=10 sum3=1945
Emax=10.3340004895 nrkept=25 nrkeptmult=46 
Kept: 25 out of 43, ratio=0.581
Memory used: 11 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 16/20 (scale 3.053334842735997e-08) ***** 
[1] xi(15)=1 zeta(16)=0
Stats: nr=15 min=1 max=14 sum3=10488
Safeguard: keep additional 1 states
Emax=11.9463128932 nrkept=12 nrkeptmult=20 
Kept: 12 out of 90, ratio=0.133
Memory used: 11 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 17/20 (scale 8.8142184668984575e-09) ***** 
[1] xi(16)=1 zeta(17)=0
Stats: nr=10 min=1 max=10 sum3=1945
Emax=10.3845966586 nrkept=25 nrkeptmult=46 
Kept: 25 out of 43, ratio=0.581
Memory used: 11 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 18/20 (scale 2.5444457022799977e-09) ***** 
[1] xi(17)=1 zeta(18)=0
Stats: nr=15 min=1 max=14 sum3=10488
Safeguard: keep additional 1 states
Emax=11.9955580159 nrkept=12 nrkeptmult=20 
Kept: 12 out of 90, ratio=0.133
Memory used: 11 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 19/20 (scale 7.3451820557487153e-10) ***** 
[1] xi(18)=1 zeta(19)=0
Stats: nr=10 min=1 max=10 sum3=1945
Emax=10.388901017 nrkept=25 nrkeptmult=46 
Kept: 25 out of 43, ratio=0.581
Memory used: 11 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 20/20 (scale 2.120371418566665e-10) ***** 
[1] xi(19)=1 zeta(20)=0
Stats: nr=15 min=1 max=14 sum3=10488
Safeguard: keep additional 1 states
Emax=11.9996724962 nrkept=90 nrkeptmult=184 
Kept: 90 out of 90, ratio=1
Memory used: 11 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=9.10729824888e-16 mu2=0.000669258441087 mu3=2.60208521397e-18 mu4=0.000142426500439


Memory usage report
===================
  after diag: 11336 kB
after recalc: 11364 kB
 after split: 11336 kB
  after trim: 11344 kB
 after trunc: 11336 kB
      diag_h: 7812 kB

Peak usage: 11364 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
