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=0.125
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=	0.125
>>  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=0.125
# keep=10000 keepenergy=10 Nmax=20 channels=1 dots=1 betabar=1

Number of invariant subspaces: 6
(-2 1) 1 states
0.00471738510222 
(-1 2) 2 states
0.00223924608107 0.00675069375344 
(0 1) 3 states
0 0.00471738510222 0.00898993983451 
(0 3) 1 states
0.00427255473229 
(1 2) 2 states
0.00223924608107 0.00675069375344 
(2 1) 1 states
0.00471738510222 
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 3.2447777187970135) ***** 
[1] xi(0)=0.170722715002 zeta(1)=0
Stats: nr=10 min=1 max=8 sum3=1055
Emax=0.685133465293 nrkept=35 nrkeptmult=64 
Total energy=-1.10905290129  Egs=-0.326995700096
Kept: 35 out of 35, ratio=1
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 2/20 (scale 0.93668664470397767) ***** 
[1] xi(1)=0.766464039217 zeta(2)=0
Stats: nr=15 min=1 max=20 sum3=30066
Emax=3.95842855666 nrkept=126 nrkeptmult=256 
Total energy=-1.85140358152  Egs=-0.792528306479
Kept: 126 out of 126, ratio=1
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 3/20 (scale 0.27039814323308442) ***** 
[1] xi(2)=1.68555731889 zeta(3)=0
Stats: nr=21 min=1 max=75 sum3=1007202
Safeguard: keep additional 11 states
Emax=10.125531936 nrkept=274 nrkeptmult=620 
Total energy=-2.47983758918  Egs=-2.32410622405
Kept: 274 out of 462, ratio=0.593
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 4/20 (scale 0.078057220391998153) ***** 
[1] xi(3)=1.16317423255 zeta(4)=0
Stats: nr=28 min=1 max=120 sum3=7170418
Safeguard: keep additional 1 states
Emax=10.4192447056 nrkept=88 nrkeptmult=180 
Total energy=-2.51736349059  Egs=-0.480748625474
Kept: 88 out of 1018, ratio=0.0864
Memory used: 6 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 5/20 (scale 0.022533178602757036) ***** 
[1] xi(4)=1.00705324749 zeta(5)=0
Stats: nr=21 min=1 max=51 sum3=323951
Safeguard: keep additional 1 states
Emax=12.0344662168 nrkept=37 nrkeptmult=70 
Total energy=-2.55200372845  Egs=-1.53729921843
Kept: 37 out of 323, ratio=0.115
Memory used: 6 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 6/20 (scale 0.0065047683659998452) ***** 
[1] xi(5)=1.00047963928 zeta(6)=0
Stats: nr=15 min=1 max=21 sum3=34502
Safeguard: keep additional 1 states
Emax=10.7589533736 nrkept=88 nrkeptmult=180 
Total energy=-2.55567104729  Egs=-0.563789306031
Kept: 88 out of 134, ratio=0.657
Memory used: 6 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 7/20 (scale 0.0018777648835630865) ***** 
[1] xi(6)=1.00003954644 zeta(7)=0
Stats: nr=21 min=1 max=51 sum3=323951
Safeguard: keep additional 1 states
Emax=12.3547746592 nrkept=37 nrkeptmult=70 
Total energy=-2.55792234334  Egs=-1.1989232862
Kept: 37 out of 323, ratio=0.115
Memory used: 6 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 8/20 (scale 0.00054206403049998706) ***** 
[1] xi(7)=1.00000329306 zeta(8)=0
Stats: nr=15 min=1 max=21 sum3=34502
Safeguard: keep additional 1 states
Emax=10.863681161 nrkept=46 nrkeptmult=100 
Total energy=-2.55831888485  Egs=-0.731539994341
Kept: 46 out of 134, ratio=0.343
Memory used: 6 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 9/20 (scale 0.00015648040696359053) ***** 
[1] xi(8)=1.0000002744 zeta(9)=0
Stats: nr=19 min=1 max=29 sum3=54903
Safeguard: keep additional 2 states
Emax=10.0338722015 nrkept=32 nrkeptmult=60 
Total energy=-2.55844716169  Egs=-0.819762948885
Kept: 32 out of 171, ratio=0.187
Memory used: 6 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 10/20 (scale 4.5172002541665589e-05) ***** 
[1] xi(9)=1.00000002287 zeta(10)=0
Stats: nr=15 min=1 max=18 sum3=21470
Safeguard: keep additional 1 states
Emax=10.1417341496 nrkept=37 nrkeptmult=83 
Total energy=-2.55849962582  Egs=-1.16143028186
Kept: 37 out of 116, ratio=0.319
Memory used: 6 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 11/20 (scale 1.3040033913632545e-05) ***** 
[1] xi(10)=1.00000000191 zeta(11)=0
Stats: nr=18 min=1 max=23 sum3=28669
Emax=11.4689995215 nrkept=33 nrkeptmult=62 
Total energy=-2.55850529471  Egs=-0.434729465265
Kept: 33 out of 139, ratio=0.237
Memory used: 6 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 12/20 (scale 3.7643335451387996e-06) ***** 
[1] xi(11)=1.00000000016 zeta(12)=0
Stats: nr=15 min=1 max=19 sum3=25074
Emax=10.3495166561 nrkept=22 nrkeptmult=48 
Total energy=-2.55851185617  Egs=-1.74305988568
Kept: 22 out of 120, ratio=0.183
Memory used: 6 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 13/20 (scale 1.0866694928027121e-06) ***** 
[1] xi(12)=1.00000000001 zeta(13)=0
Stats: nr=16 min=1 max=16 sum3=8224
Safeguard: keep additional 2 states
Emax=10.0456512071 nrkept=30 nrkeptmult=58 
Total energy=-2.55851219424  Egs=-0.311109469205
Kept: 30 out of 82, ratio=0.366
Memory used: 6 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 14/20 (scale 3.1369446209489997e-07) ***** 
[1] xi(13)=1 zeta(14)=0
Stats: nr=15 min=1 max=17 sum3=17660
Safeguard: keep additional 1 states
Emax=11.4654498033 nrkept=12 nrkeptmult=20 
Total energy=-2.55851279137  Egs=-1.90352158223
Kept: 12 out of 110, ratio=0.109
Memory used: 6 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 15/20 (scale 9.055579106689267e-08) ***** 
[1] xi(14)=1 zeta(15)=0
Stats: nr=10 min=1 max=10 sum3=1945
Emax=10.3418205709 nrkept=25 nrkeptmult=46 
Total energy=-2.5585128182  Egs=-0.296294054611
Kept: 25 out of 43, ratio=0.581
Memory used: 6 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 16/20 (scale 2.6141205174574994e-08) ***** 
[1] xi(15)=1 zeta(16)=0
Stats: nr=15 min=1 max=14 sum3=10488
Safeguard: keep additional 1 states
Emax=11.95403016 nrkept=12 nrkeptmult=20 
Total energy=-2.55851286838  Egs=-1.91978204788
Kept: 12 out of 90, ratio=0.133
Memory used: 6 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 17/20 (scale 7.5463159222410553e-09) ***** 
[1] xi(16)=1 zeta(17)=0
Stats: nr=10 min=1 max=10 sum3=1945
Emax=10.3852719914 nrkept=25 nrkeptmult=46 
Total energy=-2.55851287061  Egs=-0.294997761362
Kept: 25 out of 43, ratio=0.581
Memory used: 6 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 18/20 (scale 2.178433764547916e-09) ***** 
[1] xi(17)=1 zeta(18)=0
Stats: nr=15 min=1 max=14 sum3=10488
Safeguard: keep additional 1 states
Emax=11.9962041382 nrkept=12 nrkeptmult=20 
Total energy=-2.5585128748  Egs=-1.92116150671
Kept: 12 out of 90, ratio=0.133
Memory used: 6 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 19/20 (scale 6.2885966018675461e-10) ***** 
[1] xi(18)=1 zeta(19)=0
Stats: nr=10 min=1 max=10 sum3=1945
Emax=10.3889574507 nrkept=25 nrkeptmult=46 
Total energy=-2.55851287498  Egs=-0.294889275364
Kept: 25 out of 43, ratio=0.581
Memory used: 6 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 20/20 (scale 1.815361470456597e-10) ***** 
[1] xi(19)=1 zeta(20)=0
Stats: nr=15 min=1 max=14 sum3=10488
Safeguard: keep additional 1 states
Emax=11.9997263483 nrkept=90 nrkeptmult=184 
Total energy=-2.55851287533  Egs=-1.92127661478
Kept: 90 out of 90, ratio=1
Memory used: 6 MB  Time elapsed: 0 s

** Iteration completed.


Total energy:             -2.558512875329978
TKW=4.15374515917e-05
Grand canonical Z=               1.91228565392904
Zft (last shell)=               1.912284668079429
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=	0.125
>>  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
0.00471738510222 
(-1 2) 2 states
0.00223924608107 0.00675069375344 
(0 1) 3 states
0 0.00471738510222 0.00898993983451 
(0 3) 1 states
0.00427255473229 
(1 2) 2 states
0.00223924608107 0.00675069375344 
(2 1) 1 states
0.00471738510222 
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 3.2447777187970135) ***** 
[1] xi(0)=0.170722715002 zeta(1)=0
Stats: nr=10 min=1 max=8 sum3=1055
Emax=0.685133465293 nrkept=35 nrkeptmult=64 
Kept: 35 out of 35, ratio=1
Memory used: 8 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 2/20 (scale 0.93668664470397767) ***** 
[1] xi(1)=0.766464039217 zeta(2)=0
Stats: nr=15 min=1 max=20 sum3=30066
Emax=3.95842855666 nrkept=126 nrkeptmult=256 
Kept: 126 out of 126, ratio=1
Memory used: 8 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 3/20 (scale 0.27039814323308442) ***** 
[1] xi(2)=1.68555731889 zeta(3)=0
Stats: nr=21 min=1 max=75 sum3=1007202
Safeguard: keep additional 11 states
Emax=10.125531936 nrkept=274 nrkeptmult=620 
Kept: 274 out of 462, ratio=0.593
Memory used: 9 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 4/20 (scale 0.078057220391998153) ***** 
[1] xi(3)=1.16317423255 zeta(4)=0
Stats: nr=28 min=1 max=120 sum3=7170418
Safeguard: keep additional 1 states
Emax=10.4192447056 nrkept=88 nrkeptmult=180 
Kept: 88 out of 1018, ratio=0.0864
Memory used: 9 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 5/20 (scale 0.022533178602757036) ***** 
[1] xi(4)=1.00705324749 zeta(5)=0
Stats: nr=21 min=1 max=51 sum3=323951
Safeguard: keep additional 1 states
Emax=12.0344662168 nrkept=37 nrkeptmult=70 
Kept: 37 out of 323, ratio=0.115
Memory used: 9 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 6/20 (scale 0.0065047683659998452) ***** 
[1] xi(5)=1.00047963928 zeta(6)=0
Stats: nr=15 min=1 max=21 sum3=34502
Safeguard: keep additional 1 states
Emax=10.7589533736 nrkept=88 nrkeptmult=180 
Kept: 88 out of 134, ratio=0.657
Memory used: 9 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 7/20 (scale 0.0018777648835630865) ***** 
[1] xi(6)=1.00003954644 zeta(7)=0
Stats: nr=21 min=1 max=51 sum3=323951
Safeguard: keep additional 1 states
Emax=12.3547746592 nrkept=37 nrkeptmult=70 
Kept: 37 out of 323, ratio=0.115
Memory used: 9 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 8/20 (scale 0.00054206403049998706) ***** 
[1] xi(7)=1.00000329306 zeta(8)=0
Stats: nr=15 min=1 max=21 sum3=34502
Safeguard: keep additional 1 states
Emax=10.863681161 nrkept=46 nrkeptmult=100 
Kept: 46 out of 134, ratio=0.343
Memory used: 9 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 9/20 (scale 0.00015648040696359053) ***** 
[1] xi(8)=1.0000002744 zeta(9)=0
Stats: nr=19 min=1 max=29 sum3=54903
Safeguard: keep additional 2 states
Emax=10.0338722015 nrkept=32 nrkeptmult=60 
Kept: 32 out of 171, ratio=0.187
Memory used: 9 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 10/20 (scale 4.5172002541665589e-05) ***** 
[1] xi(9)=1.00000002287 zeta(10)=0
Stats: nr=15 min=1 max=18 sum3=21470
Safeguard: keep additional 1 states
Emax=10.1417341496 nrkept=37 nrkeptmult=83 
Kept: 37 out of 116, ratio=0.319
Memory used: 9 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 11/20 (scale 1.3040033913632545e-05) ***** 
[1] xi(10)=1.00000000191 zeta(11)=0
Stats: nr=18 min=1 max=23 sum3=28669
Emax=11.4689995215 nrkept=33 nrkeptmult=62 
Kept: 33 out of 139, ratio=0.237
Memory used: 9 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 12/20 (scale 3.7643335451387996e-06) ***** 
[1] xi(11)=1.00000000016 zeta(12)=0
Stats: nr=15 min=1 max=19 sum3=25074
Emax=10.3495166561 nrkept=22 nrkeptmult=48 
Kept: 22 out of 120, ratio=0.183
Memory used: 9 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 13/20 (scale 1.0866694928027121e-06) ***** 
[1] xi(12)=1.00000000001 zeta(13)=0
Stats: nr=16 min=1 max=16 sum3=8224
Safeguard: keep additional 2 states
Emax=10.0456512071 nrkept=30 nrkeptmult=58 
Kept: 30 out of 82, ratio=0.366
Memory used: 9 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 14/20 (scale 3.1369446209489997e-07) ***** 
[1] xi(13)=1 zeta(14)=0
Stats: nr=15 min=1 max=17 sum3=17660
Safeguard: keep additional 1 states
Emax=11.4654498033 nrkept=12 nrkeptmult=20 
Kept: 12 out of 110, ratio=0.109
Memory used: 9 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 15/20 (scale 9.055579106689267e-08) ***** 
[1] xi(14)=1 zeta(15)=0
Stats: nr=10 min=1 max=10 sum3=1945
Emax=10.3418205709 nrkept=25 nrkeptmult=46 
Kept: 25 out of 43, ratio=0.581
Memory used: 9 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 16/20 (scale 2.6141205174574994e-08) ***** 
[1] xi(15)=1 zeta(16)=0
Stats: nr=15 min=1 max=14 sum3=10488
Safeguard: keep additional 1 states
Emax=11.95403016 nrkept=12 nrkeptmult=20 
Kept: 12 out of 90, ratio=0.133
Memory used: 9 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 17/20 (scale 7.5463159222410553e-09) ***** 
[1] xi(16)=1 zeta(17)=0
Stats: nr=10 min=1 max=10 sum3=1945
Emax=10.3852719914 nrkept=25 nrkeptmult=46 
Kept: 25 out of 43, ratio=0.581
Memory used: 9 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 18/20 (scale 2.178433764547916e-09) ***** 
[1] xi(17)=1 zeta(18)=0
Stats: nr=15 min=1 max=14 sum3=10488
Safeguard: keep additional 1 states
Emax=11.9962041382 nrkept=12 nrkeptmult=20 
Kept: 12 out of 90, ratio=0.133
Memory used: 9 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 19/20 (scale 6.2885966018675461e-10) ***** 
[1] xi(18)=1 zeta(19)=0
Stats: nr=10 min=1 max=10 sum3=1945
Emax=10.3889574507 nrkept=25 nrkeptmult=46 
Kept: 25 out of 43, ratio=0.581
Memory used: 9 MB  Time elapsed: 0 s

 ***** [DMNRG] Iteration 20/20 (scale 1.815361470456597e-10) ***** 
[1] xi(19)=1 zeta(20)=0
Stats: nr=15 min=1 max=14 sum3=10488
Safeguard: keep additional 1 states
Emax=11.9997263483 nrkept=90 nrkeptmult=184 
Kept: 90 out of 90, ratio=1
Memory used: 9 MB  Time elapsed: 0 s

** Iteration completed.

Spectrum: A_d-A_d FDM
[A_d-A_d] pos=0.499999999999 neg=0.499999999999 sum= 0.999999999999
mu1=-6.96491475605e-16 mu2=0.000667976384378 mu3=-4.28259858132e-18 mu4=0.000196783902853


Memory usage report
===================
  after diag: 9972 kB
after recalc: 9972 kB
 after split: 9972 kB
  after trim: 9972 kB
 after trunc: 9972 kB
      diag_h: 7096 kB

Peak usage: 9972 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
