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=34
TEMPERATURE T=1.78139792976e-10
Nmax=34
Tmin=1e-10
Ninit=0
Lambda=4
strategy=kept
lastall=0
lastalloverride=0
z=0.25
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=	0.0006	 Delta=	0.007	 t=	0.
>> 
>>  Gamma^(1/2)=	0.019544100476116797
>>  Lambda=	4.	 BAND=	flat
>>  DISCRETIZATION=	Z	 z=	0.25
>>  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=0.25
# keep=5000 keepenergy=10 Nmax=34 channels=1 dots=1 betabar=1

Number of invariant subspaces: 6
(-2 1) 1 states
0.0115068136138 
(-1 2) 2 states
0.00543912453998 0.0182280081165 
(0 1) 3 states
0 0.0137433394643 0.0260051448088 
(0 3) 1 states
0.0121603190427 
(1 2) 2 states
0.00744058514286 0.0208010855165 
(2 1) 1 states
0.0160813516166 
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 1/34 (scale 1.5302091698951845) ***** 
[1] xi(0)=0.386339012483 zeta(1)=0
Stats: nr=10 min=1 max=8 sum3=1055
Emax=1.55533956531 nrkept=35 nrkeptmult=64 
Total energy=-1.17800276195  Egs=-0.750085100201
Kept: 35 out of 35, ratio=1
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 2/34 (scale 0.76510458494759226) ***** 
[1] xi(1)=0.825210335354 zeta(2)=0
Stats: nr=15 min=1 max=20 sum3=30066
Emax=4.59958545687 nrkept=126 nrkeptmult=256 
Total energy=-1.74994034829  Egs=-0.747528635427
Kept: 126 out of 126, ratio=1
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 3/34 (scale 0.38255229247379613) ***** 
[1] xi(2)=1.34995585906 zeta(3)=0
Stats: nr=21 min=1 max=75 sum3=1007202
Safeguard: keep additional 3 states
Emax=10.0017496093 nrkept=397 nrkeptmult=891 
Total energy=-2.54579102424  Egs=-2.08037094957
Kept: 397 out of 462, ratio=0.859
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 4/34 (scale 0.19127614623689806) ***** 
[1] xi(3)=1.19788354053 zeta(4)=0
Stats: nr=28 min=1 max=177 sum3=22134493
Safeguard: keep additional 2 states
Emax=10.0511825491 nrkept=415 nrkeptmult=965 
Total energy=-2.68777560145  Egs=-0.7423015363
Kept: 415 out of 1477, ratio=0.281
Memory used: 8 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 5/34 (scale 0.095638073118449032) ***** 
[1] xi(4)=1.03290972714 zeta(5)=0
Stats: nr=33 min=1 max=203 sum3=23898904
Emax=10.0525982272 nrkept=263 nrkeptmult=586 
Total energy=-2.84802671386  Egs=-1.67559955131
Kept: 263 out of 1552, ratio=0.169
Memory used: 11 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 6/34 (scale 0.047819036559224516) ***** 
[1] xi(5)=1.00586473051 zeta(6)=0
Stats: nr=28 min=1 max=117 sum3=6526420
Emax=10.0415257116 nrkept=165 nrkeptmult=340 
Total energy=-2.87877993543  Egs=-0.643116712251
Kept: 165 out of 976, ratio=0.169
Memory used: 11 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 7/34 (scale 0.023909518279612258) ***** 
[1] xi(6)=1.00136705755 zeta(7)=0
Stats: nr=23 min=1 max=97 sum3=2209770
Emax=10.2979049058 nrkept=245 nrkeptmult=549 
Total energy=-2.91687324272  Egs=-1.59322771977
Kept: 245 out of 606, ratio=0.404
Memory used: 11 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 8/34 (scale 0.011954759139806129) ***** 
[1] xi(7)=1.00033724249 zeta(8)=0
Stats: nr=27 min=1 max=112 sum3=5439853
Emax=10.024510101 nrkept=157 nrkeptmult=323 
Total energy=-2.92506525677  Egs=-0.685251284061
Kept: 157 out of 913, ratio=0.172
Memory used: 12 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 9/34 (scale 0.0059773795699030645) ***** 
[1] xi(8)=1.00008404709 zeta(9)=0
Stats: nr=21 min=1 max=93 sum3=1945688
Emax=10.0125535204 nrkept=206 nrkeptmult=452 
Total energy=-2.93421799596  Egs=-1.53122937535
Kept: 206 out of 578, ratio=0.356
Memory used: 12 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 10/34 (scale 0.0029886897849515323) ***** 
[1] xi(9)=1.00002099553 zeta(10)=0
Stats: nr=26 min=1 max=97 sum3=3353927
Emax=10.123255045 nrkept=138 nrkeptmult=287 
Total energy=-2.9363272474  Egs=-0.70574452082
Kept: 138 out of 761, ratio=0.181
Memory used: 12 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 11/34 (scale 0.0014943448924757661) ***** 
[1] xi(10)=1.00000524787 zeta(11)=0
Stats: nr=21 min=1 max=81 sum3=1310878
Emax=10.017177882 nrkept=140 nrkeptmult=311 
Total energy=-2.93858949351  Egs=-1.51387147748
Kept: 140 out of 508, ratio=0.276
Memory used: 12 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 12/34 (scale 0.00074717244623788307) ***** 
[1] xi(11)=1.0000013119 zeta(12)=0
Stats: nr=24 min=1 max=74 sum3=1199812
Emax=10.0490130658 nrkept=104 nrkeptmult=219 
Total energy=-2.9391065716  Egs=-0.69204651289
Kept: 104 out of 520, ratio=0.2
Memory used: 12 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 13/34 (scale 0.00037358622311894153) ***** 
[1] xi(12)=1.00000032797 zeta(13)=0
Stats: nr=20 min=1 max=62 sum3=615360
Emax=10.0515753987 nrkept=89 nrkeptmult=186 
Total energy=-2.93967607704  Egs=-1.52442837478
Kept: 89 out of 384, ratio=0.232
Memory used: 12 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 14/34 (scale 0.00018679311155947077) ***** 
[1] xi(13)=1.00000008199 zeta(14)=0
Stats: nr=20 min=1 max=52 sum3=360742
Emax=10.026581776 nrkept=58 nrkeptmult=114 
Total energy=-2.93980290397  Egs=-0.678970077255
Kept: 58 out of 328, ratio=0.177
Memory used: 12 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 15/34 (scale 9.3396555779735383e-05) ***** 
[1] xi(14)=1.0000000205 zeta(15)=0
Stats: nr=19 min=1 max=33 sum3=113174
Emax=10.2040203659 nrkept=71 nrkeptmult=145 
Total energy=-2.93994595152  Egs=-1.53161481157
Kept: 71 out of 212, ratio=0.335
Memory used: 12 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 16/34 (scale 4.6698277889867692e-05) ***** 
[1] xi(15)=1.00000000512 zeta(16)=0
Stats: nr=20 min=1 max=42 sum3=176408
Emax=10.5308599181 nrkept=58 nrkeptmult=115 
Total energy=-2.9399774467  Egs=-0.674439989327
Kept: 58 out of 260, ratio=0.223
Memory used: 12 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 17/34 (scale 2.3349138944933846e-05) ***** 
[1] xi(16)=1.00000000128 zeta(17)=0
Stats: nr=18 min=1 max=34 sum3=119096
Emax=10.0175095657 nrkept=69 nrkeptmult=143 
Total energy=-2.9400132609  Egs=-1.53385498901
Kept: 69 out of 212, ratio=0.325
Memory used: 12 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 18/34 (scale 1.1674569472466923e-05) ***** 
[1] xi(17)=1.00000000032 zeta(18)=0
Stats: nr=20 min=1 max=41 sum3=163478
Emax=10.6386241345 nrkept=58 nrkeptmult=115 
Total energy=-2.94002112051  Egs=-0.673225131882
Kept: 58 out of 254, ratio=0.228
Memory used: 13 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 19/34 (scale 5.8372847362334614e-06) ***** 
[1] xi(18)=1.00000000008 zeta(19)=0
Stats: nr=18 min=1 max=34 sum3=119096
Emax=10.0462467064 nrkept=69 nrkeptmult=143 
Total energy=-2.94003007749  Egs=-1.53444341936
Kept: 69 out of 212, ratio=0.325
Memory used: 13 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 20/34 (scale 2.9186423681167307e-06) ***** 
[1] xi(19)=1.00000000002 zeta(20)=0
Stats: nr=20 min=1 max=41 sum3=163478
Emax=10.6701764423 nrkept=58 nrkeptmult=115 
Total energy=-2.9400320415  Egs=-0.67291658439
Kept: 58 out of 254, ratio=0.228
Memory used: 13 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 21/34 (scale 1.4593211840583654e-06) ***** 
[1] xi(20)=1.00000000001 zeta(21)=0
Stats: nr=18 min=1 max=34 sum3=119096
Emax=10.0535221275 nrkept=69 nrkeptmult=143 
Total energy=-2.94003428096  Egs=-1.53459230072
Kept: 69 out of 212, ratio=0.325
Memory used: 13 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 22/34 (scale 7.2966059202918268e-07) ***** 
[1] xi(21)=1 zeta(22)=0
Stats: nr=20 min=1 max=41 sum3=163478
Emax=10.6784128041 nrkept=58 nrkeptmult=115 
Total energy=-2.9400347719  Egs=-0.6728391366
Kept: 58 out of 254, ratio=0.228
Memory used: 13 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 23/34 (scale 3.6483029601459134e-07) ***** 
[1] xi(22)=1 zeta(23)=0
Stats: nr=18 min=1 max=34 sum3=119096
Emax=10.0553473163 nrkept=69 nrkeptmult=143 
Total energy=-2.94003533178  Egs=-1.53462965905
Kept: 69 out of 212, ratio=0.325
Memory used: 13 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 24/34 (scale 1.8241514800729567e-07) ***** 
[1] xi(23)=1 zeta(24)=0
Stats: nr=20 min=1 max=41 sum3=163478
Emax=10.6804947341 nrkept=58 nrkeptmult=115 
Total energy=-2.94003545451  Egs=-0.672819737963
Kept: 58 out of 254, ratio=0.228
Memory used: 13 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 25/34 (scale 9.1207574003647835e-08) ***** 
[1] xi(24)=1 zeta(25)=0
Stats: nr=18 min=1 max=34 sum3=119096
Emax=10.0558039762 nrkept=69 nrkeptmult=143 
Total energy=-2.94003559449  Egs=-1.53463903493
Kept: 69 out of 212, ratio=0.325
Memory used: 13 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 26/34 (scale 4.5603787001823918e-08) ***** 
[1] xi(25)=1 zeta(26)=0
Stats: nr=20 min=1 max=41 sum3=163478
Emax=10.681016577 nrkept=58 nrkeptmult=115 
Total energy=-2.94003562517  Egs=-0.672814868656
Kept: 58 out of 254, ratio=0.228
Memory used: 13 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 27/34 (scale 2.2801893500911959e-08) ***** 
[1] xi(26)=1 zeta(27)=0
Stats: nr=18 min=1 max=34 sum3=119096
Safeguard: keep additional 1 states
Emax=10.0559234191 nrkept=70 nrkeptmult=144 
Total energy=-2.94003566016  Egs=-1.53464140883
Kept: 70 out of 212, ratio=0.33
Memory used: 13 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 28/34 (scale 1.1400946750455979e-08) ***** 
[1] xi(27)=1 zeta(28)=0
Stats: nr=20 min=1 max=41 sum3=166697
Emax=10.6811470358 nrkept=58 nrkeptmult=115 
Total energy=-2.94003566783  Egs=-0.672813632755
Kept: 58 out of 257, ratio=0.226
Memory used: 13 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 29/34 (scale 5.7004733752279897e-09) ***** 
[1] xi(28)=1 zeta(29)=0
Stats: nr=18 min=1 max=34 sum3=119096
Safeguard: keep additional 1 states
Emax=10.0559478181 nrkept=70 nrkeptmult=144 
Total energy=-2.94003567658  Egs=-1.5346420319
Kept: 70 out of 212, ratio=0.33
Memory used: 13 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 30/34 (scale 2.8502366876139948e-09) ***** 
[1] xi(29)=1 zeta(30)=0
Stats: nr=20 min=1 max=41 sum3=166697
Emax=10.6811795628 nrkept=58 nrkeptmult=115 
Total energy=-2.9400356785  Egs=-0.672813305184
Kept: 58 out of 257, ratio=0.226
Memory used: 13 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 31/34 (scale 1.4251183438069974e-09) ***** 
[1] xi(30)=1 zeta(31)=0
Stats: nr=18 min=1 max=34 sum3=119096
Safeguard: keep additional 1 states
Emax=10.0559538712 nrkept=70 nrkeptmult=144 
Total energy=-2.94003568068  Egs=-1.53464221732
Kept: 70 out of 212, ratio=0.33
Memory used: 13 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 32/34 (scale 7.1255917190349871e-10) ***** 
[1] xi(31)=1 zeta(32)=0
Stats: nr=20 min=1 max=41 sum3=166697
Emax=10.6811876006 nrkept=58 nrkeptmult=115 
Total energy=-2.94003568116  Egs=-0.672813204691
Kept: 58 out of 257, ratio=0.226
Memory used: 13 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 33/34 (scale 3.5627958595174936e-10) ***** 
[1] xi(32)=1 zeta(33)=0
Stats: nr=18 min=1 max=34 sum3=119096
Safeguard: keep additional 1 states
Emax=10.0559554006 nrkept=70 nrkeptmult=144 
Total energy=-2.94003568171  Egs=-1.53464229332
Kept: 70 out of 212, ratio=0.33
Memory used: 13 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 34/34 (scale 1.7813979297587468e-10) ***** 
[1] xi(33)=1 zeta(34)=0
Stats: nr=20 min=1 max=41 sum3=166697
Emax=10.681189516 nrkept=58 nrkeptmult=115 
Total energy=-2.94003568183  Egs=-0.672813160967
Kept: 58 out of 257, ratio=0.226
Memory used: 13 MB  Time elapsed: 0 s

** Iteration completed.


Total energy:             -2.940035681830838
TKW=0.00149149515221
Grand canonical Z=              5.953032262739835
Zft (last shell)=               5.951770772415463

Memory usage report
===================
  after diag: 13456 kB
after recalc: 13468 kB
 after split: 13464 kB
  after trim: 13468 kB
 after trunc: 13456 kB
      diag_h: 13456 kB

Peak usage: 13468 kB

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