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=33
TEMPERATURE T=1.78139792976e-10
Nmax=33
Tmin=1e-10
Ninit=0
Lambda=4
strategy=kept
lastall=0
lastalloverride=0
z=0.75
discretization=Z
band=flat
betabar=1
T=1.78139792976e-10
T_ratio=1
Tmin_ratio=-999
keep=5000
keepenergy=10
keepmin=0
keepblock=0
keepzrescale=0
log=
logall=0
logenumber=10
smooth=old
alpha=0.3
omega0=-1
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=2.5
broaden_min=-99
broaden_min_ratio=3
broaden_ratio=1.05
dumpenergies=0
saveall=0
dumpannotated=0
dumpscaled=1
dumpabs=0
dumpprecision=8
dumpgroups=1
grouptol=1e-06
dumpdiagonal=0
ops=
specs=
specd=
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=0
T0opt=-1
dmnrg=0
cfs=0
fdm=0
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=	0.0031831	 Delta=	0	 t=	0.
>> 
>>  Gamma^(1/2)=	0.04501582385587593
>>  Lambda=	4.	 BAND=	flat
>>  DISCRETIZATION=	Z	 z=	0.75
>>  ops=	
V7
>>  Number of channels, impurities, subspaces: 
channels=1 impurities=1 subspaces=6
Reading <||||> (e)
Reading <||||> (z)

# $Id: nrg.cc,v 1.31 2012/10/26 10:18:22 rokzitko Exp rokzitko $ QS
# disk=Z band=flat Lambda=4 z=0.75
# keep=5000 keepenergy=10 Nmax=33 channels=1 dots=1 betabar=1

Number of invariant subspaces: 6
(-2 1) 1 states
0.0604926129455 
(-1 2) 2 states
0.029395432651 0.0883222660952 
(0 1) 3 states
0 0.0604926129455 0.117717698746 
(0 3) 1 states
0.0572250858006 
(1 2) 2 states
0.029395432651 0.0883222660952 
(2 1) 1 states
0.0604926129455 
Number of states (multiplicity taken into account): 16

Computing the following operators:
s=[]
p=[]
g=[]
d=[]
v=[]
t=[]

Computing the following spectra:

Before NRG iteration (N=-1)

 ***** [NRG] Iteration 1/33 (scale 0.76510458494759226) ***** 
[1] xi(0)=0.76384659685 zeta(1)=0
Stats: nr=10 min=1 max=8 sum3=1055
Emax=3.07089566889 nrkept=35 nrkeptmult=64 
Total energy=-1.17227817808  Egs=-1.4177301357
Kept: 35 out of 35, ratio=1
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 2/33 (scale 0.38255229247379613) ***** 
[1] xi(1)=1.03835796029 zeta(2)=0
Stats: nr=15 min=1 max=20 sum3=30066
Emax=7.66348123824 nrkept=126 nrkeptmult=256 
Total energy=-1.46334115801  Egs=-0.760844950234
Kept: 126 out of 126, ratio=1
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 3/33 (scale 0.19127614623689806) ***** 
[1] xi(2)=1.0510904621 zeta(3)=0
Stats: nr=21 min=1 max=75 sum3=1007202
Safeguard: keep additional 1 states
Emax=10.1042883912 nrkept=264 nrkeptmult=594 
Total energy=-1.76641321106  Egs=-1.58447385633
Kept: 264 out of 462, ratio=0.571
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 4/33 (scale 0.095638073118449032) ***** 
[1] xi(3)=1.00917127924 zeta(4)=0
Stats: nr=28 min=1 max=116 sum3=6400760
Safeguard: keep additional 2 states
Emax=10.026792287 nrkept=255 nrkeptmult=569 
Total energy=-1.83949430651  Egs=-0.764142282117
Kept: 255 out of 980, ratio=0.26
Memory used: 6 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 5/33 (scale 0.047819036559224516) ***** 
[1] xi(4)=1.00135573228 zeta(5)=0
Stats: nr=29 min=1 max=136 sum3=6654170
Safeguard: keep additional 1 states
Emax=10.760551327 nrkept=264 nrkeptmult=594 
Total energy=-1.90558979815  Egs=-1.38220040385
Kept: 264 out of 950, ratio=0.278
Memory used: 6 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 6/33 (scale 0.023909518279612258) ***** 
[1] xi(5)=1.00028520546 zeta(6)=0
Stats: nr=28 min=1 max=116 sum3=6400760
Emax=10.1023954342 nrkept=157 nrkeptmult=323 
Total energy=-1.92746128923  Egs=-0.914760842036
Kept: 157 out of 980, ratio=0.16
Memory used: 8 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 7/33 (scale 0.011954759139806129) ***** 
[1] xi(6)=1.00006871662 zeta(7)=0
Stats: nr=21 min=1 max=94 sum3=1975880
Emax=10.1661370084 nrkept=201 nrkeptmult=446 
Total energy=-1.94126400882  Egs=-1.15457948021
Kept: 201 out of 578, ratio=0.348
Memory used: 8 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 8/33 (scale 0.0059773795699030645) ***** 
[1] xi(7)=1.00001703192 zeta(8)=0
Stats: nr=26 min=1 max=94 sum3=3271438
Safeguard: keep additional 2 states
Emax=10.0566269443 nrkept=151 nrkeptmult=311 
Total energy=-1.94793278484  Egs=-1.11566882062
Kept: 151 out of 748, ratio=0.202
Memory used: 8 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 9/33 (scale 0.0029886897849515323) ***** 
[1] xi(8)=1.00000424897 zeta(9)=0
Stats: nr=21 min=1 max=88 sum3=1673949
Emax=10.0609007058 nrkept=163 nrkeptmult=358 
Total energy=-1.95063677519  Egs=-0.90474105761
Kept: 163 out of 555, ratio=0.294
Memory used: 8 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 10/33 (scale 0.0014943448924757661) ***** 
[1] xi(9)=1.00000106168 zeta(10)=0
Stats: nr=25 min=1 max=77 sum3=1813918
Emax=10.0549991231 nrkept=116 nrkeptmult=244 
Total energy=-1.95267031592  Egs=-1.36082422476
Kept: 116 out of 604, ratio=0.192
Memory used: 8 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 11/33 (scale 0.00074717244623788307) ***** 
[1] xi(10)=1.00000026539 zeta(11)=0
Stats: nr=21 min=1 max=67 sum3=742548
Emax=10.1025239378 nrkept=115 nrkeptmult=252 
Total energy=-1.95318964298  Egs=-0.695056483969
Kept: 115 out of 426, ratio=0.27
Memory used: 8 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 12/33 (scale 0.00037358622311894153) ***** 
[1] xi(11)=1.00000006634 zeta(12)=0
Stats: nr=25 min=1 max=56 sum3=685604
Emax=10.1536797712 nrkept=86 nrkeptmult=180 
Total energy=-1.95378665643  Egs=-1.59806067829
Kept: 86 out of 428, ratio=0.201
Memory used: 8 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 13/33 (scale 0.00018679311155947077) ***** 
[1] xi(12)=1.00000001659 zeta(13)=0
Stats: nr=21 min=1 max=51 sum3=312552
Safeguard: keep additional 1 states
Emax=10.0848897168 nrkept=87 nrkeptmult=192 
Total energy=-1.95389592978  Egs=-0.584996695325
Kept: 87 out of 318, ratio=0.274
Memory used: 8 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 14/33 (scale 9.3396555779735383e-05) ***** 
[1] xi(13)=1.00000000415 zeta(14)=0
Stats: nr=23 min=1 max=43 sum3=315220
Safeguard: keep additional 1 states
Emax=10.0309545668 nrkept=78 nrkeptmult=162 
Total energy=-1.95405712162  Egs=-1.72588626357
Kept: 78 out of 322, ratio=0.242
Memory used: 8 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 15/33 (scale 4.6698277889867692e-05) ***** 
[1] xi(14)=1.00000000104 zeta(15)=0
Stats: nr=21 min=1 max=45 sum3=223534
Emax=11.017049345 nrkept=72 nrkeptmult=148 
Total energy=-1.9540826758  Egs=-0.5472189492
Kept: 72 out of 286, ratio=0.252
Memory used: 8 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 16/33 (scale 2.3349138944933846e-05) ***** 
[1] xi(15)=1.00000000026 zeta(16)=0
Stats: nr=21 min=1 max=37 sum3=196806
Safeguard: keep additional 1 states
Emax=10.2947230209 nrkept=74 nrkeptmult=154 
Total energy=-1.9541239626  Egs=-1.76823654173
Kept: 74 out of 264, ratio=0.28
Memory used: 8 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 17/33 (scale 1.1674569472466923e-05) ***** 
[1] xi(16)=1.00000000006 zeta(17)=0
Stats: nr=21 min=1 max=41 sum3=176130
Emax=11.6981414952 nrkept=72 nrkeptmult=148 
Total energy=-1.95413022877  Egs=-0.536736584833
Kept: 72 out of 270, ratio=0.267
Memory used: 8 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 18/33 (scale 5.8372847362334614e-06) ***** 
[1] xi(17)=1.00000000002 zeta(18)=0
Stats: nr=21 min=1 max=37 sum3=196806
Safeguard: keep additional 1 states
Emax=10.502157017 nrkept=74 nrkeptmult=154 
Total energy=-1.95414061738  Egs=-1.77969919705
Kept: 74 out of 264, ratio=0.28
Memory used: 8 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 19/33 (scale 2.9186423681167307e-06) ***** 
[1] xi(18)=1 zeta(19)=0
Stats: nr=21 min=1 max=41 sum3=176130
Emax=11.897411943 nrkept=72 nrkeptmult=148 
Total energy=-1.95414217605  Egs=-0.534038440541
Kept: 72 out of 270, ratio=0.267
Memory used: 8 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 20/33 (scale 1.4593211840583654e-06) ***** 
[1] xi(19)=1 zeta(20)=0
Stats: nr=21 min=1 max=37 sum3=196806
Safeguard: keep additional 1 states
Emax=10.5570563617 nrkept=74 nrkeptmult=154 
Total energy=-1.95414477747  Egs=-1.78262418742
Kept: 74 out of 264, ratio=0.28
Memory used: 8 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 21/33 (scale 7.2966059202918268e-07) ***** 
[1] xi(20)=1 zeta(21)=0
Stats: nr=21 min=1 max=41 sum3=176130
Emax=11.9491453107 nrkept=72 nrkeptmult=148 
Total energy=-1.95414516664  Egs=-0.533358792214
Kept: 72 out of 270, ratio=0.267
Memory used: 8 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 22/33 (scale 3.6483029601459134e-07) ***** 
[1] xi(21)=1 zeta(22)=0
Stats: nr=21 min=1 max=37 sum3=196806
Safeguard: keep additional 1 states
Emax=10.5709730899 nrkept=74 nrkeptmult=154 
Total energy=-1.95414581726  Egs=-1.78335922076
Kept: 74 out of 264, ratio=0.28
Memory used: 8 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 23/33 (scale 1.8241514800729567e-07) ***** 
[1] xi(22)=1 zeta(23)=0
Stats: nr=21 min=1 max=41 sum3=176130
Emax=11.962198516 nrkept=72 nrkeptmult=148 
Total energy=-1.95414591452  Egs=-0.533188556142
Kept: 72 out of 270, ratio=0.267
Memory used: 8 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 24/33 (scale 9.1207574003647835e-08) ***** 
[1] xi(23)=1 zeta(24)=0
Stats: nr=21 min=1 max=37 sum3=196806
Safeguard: keep additional 1 states
Emax=10.5744642694 nrkept=74 nrkeptmult=154 
Total energy=-1.9541460772  Egs=-1.78354321684
Kept: 74 out of 264, ratio=0.28
Memory used: 8 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 25/33 (scale 4.5603787001823918e-08) ***** 
[1] xi(24)=1 zeta(25)=0
Stats: nr=21 min=1 max=41 sum3=176130
Emax=11.9654693009 nrkept=72 nrkeptmult=148 
Total energy=-1.95414610151  Egs=-0.53314597682
Kept: 72 out of 270, ratio=0.267
Memory used: 8 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 26/33 (scale 2.2801893500911959e-08) ***** 
[1] xi(25)=1 zeta(26)=0
Stats: nr=21 min=1 max=37 sum3=196806
Safeguard: keep additional 1 states
Emax=10.5753378136 nrkept=74 nrkeptmult=154 
Total energy=-1.95414614218  Egs=-1.78358923071
Kept: 74 out of 264, ratio=0.28
Memory used: 8 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 27/33 (scale 1.1400946750455979e-08) ***** 
[1] xi(26)=1 zeta(27)=0
Stats: nr=21 min=1 max=41 sum3=176130
Emax=11.9662874643 nrkept=72 nrkeptmult=148 
Total energy=-1.95414614826  Egs=-0.533135330723
Kept: 72 out of 270, ratio=0.267
Memory used: 8 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 28/33 (scale 5.7004733752279897e-09) ***** 
[1] xi(27)=1 zeta(28)=0
Stats: nr=21 min=1 max=37 sum3=196806
Safeguard: keep additional 1 states
Emax=10.5755562464 nrkept=74 nrkeptmult=154 
Total energy=-1.95414615842  Egs=-1.7836007351
Kept: 74 out of 264, ratio=0.28
Memory used: 8 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 29/33 (scale 2.8502366876139948e-09) ***** 
[1] xi(28)=1 zeta(29)=0
Stats: nr=21 min=1 max=41 sum3=176130
Safeguard: keep additional 10 states
Emax=11.9665110856 nrkept=82 nrkeptmult=182 
Total energy=-1.95414615994  Egs=-0.533132669121
Kept: 82 out of 270, ratio=0.304
Memory used: 8 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 30/33 (scale 1.4251183438069974e-09) ***** 
[1] xi(29)=1 zeta(30)=0
Stats: nr=23 min=1 max=40 sum3=253576
Safeguard: keep additional 1 states
Emax=10.5755982757 nrkept=74 nrkeptmult=154 
Total energy=-1.95414616249  Egs=-1.78360361125
Kept: 74 out of 304, ratio=0.243
Memory used: 8 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 31/33 (scale 7.1255917190349871e-10) ***** 
[1] xi(30)=1 zeta(31)=0
Stats: nr=21 min=1 max=41 sum3=176130
Safeguard: keep additional 15 states
Emax=11.9665581369 nrkept=87 nrkeptmult=192 
Total energy=-1.95414616287  Egs=-0.533132003787
Kept: 87 out of 270, ratio=0.322
Memory used: 8 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 32/33 (scale 3.5627958595174936e-10) ***** 
[1] xi(31)=1 zeta(32)=0
Stats: nr=25 min=1 max=42 sum3=287376
Safeguard: keep additional 1 states
Emax=10.5756102668 nrkept=74 nrkeptmult=154 
Total energy=-1.9541461635  Egs=-1.78360433024
Kept: 74 out of 324, ratio=0.228
Memory used: 8 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 33/33 (scale 1.7813979297587468e-10) ***** 
[1] xi(32)=1 zeta(33)=0
Stats: nr=21 min=1 max=41 sum3=176130
Safeguard: keep additional 15 states
Emax=11.9665628201 nrkept=87 nrkeptmult=192 
Total energy=-1.9541461636  Egs=-0.53313183741
Kept: 87 out of 270, ratio=0.322
Memory used: 8 MB  Time elapsed: 0 s

** Iteration completed.


Total energy:             -1.954146163596723
TKW=0.000766877633773
Grand canonical Z=              6.708523781696889
Zft (last shell)=               6.708156381081026

Memory usage report
===================
  after diag: 8712 kB
after recalc: 8720 kB
 after split: 8716 kB
  after trim: 8720 kB
 after trunc: 8712 kB
      diag_h: 8712 kB

Peak usage: 8724 kB

Timing report
=============
         All: 0 s
        diag: 0 s
    recalc f: 0 s
       Other: 0 s
