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=1.25963855612e-10
Nmax=33
Tmin=1e-10
Ninit=0
Lambda=4
strategy=kept
lastall=0
lastalloverride=0
z=1
discretization=Z
band=flat
betabar=1
T=1.25963855612e-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=	0.0051	 t=	0.
>> 
>>  Gamma^(1/2)=	0.019544100476116797
>>  Lambda=	4.	 BAND=	flat
>>  DISCRETIZATION=	Z	 z=	1.
>>  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=1
# keep=5000 keepenergy=10 Nmax=33 channels=1 dots=1 betabar=1

Number of invariant subspaces: 6
(-2 1) 1 states
0.0340653632317 
(-1 2) 2 states
0.0160489297453 0.0521742163421 
(0 1) 3 states
0 0.038701435976 0.0730138749987 
(0 3) 1 states
0.0341577828557 
(1 2) 2 states
0.02016915388 0.057480793863 
(2 1) 1 states
0.0434921648873 
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 0.54101064033336133) ***** 
[1] xi(0)=0.872871560944 zeta(1)=0
Stats: nr=10 min=1 max=8 sum3=1055
Emax=3.51329719022 nrkept=35 nrkeptmult=64 
Total energy=-0.940273943449  Egs=-1.67910652356
Kept: 35 out of 35, ratio=1
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 2/33 (scale 0.27050532016668066) ***** 
[1] xi(1)=0.945372903138 zeta(2)=0
Stats: nr=15 min=1 max=20 sum3=30066
Emax=8.08914867236 nrkept=126 nrkeptmult=256 
Total energy=-1.08630554523  Egs=-0.53984742958
Kept: 126 out of 126, ratio=1
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 3/33 (scale 0.13525266008334033) ***** 
[1] xi(2)=0.984886060978 zeta(3)=0
Stats: nr=21 min=1 max=75 sum3=1007202
Safeguard: keep additional 9 states
Emax=10.5913728503 nrkept=272 nrkeptmult=608 
Total energy=-1.31081354909  Egs=-1.6599156255
Kept: 272 out of 462, ratio=0.589
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 4/33 (scale 0.067626330041670166) ***** 
[1] xi(3)=0.996126049722 zeta(4)=0
Stats: nr=28 min=1 max=122 sum3=7179298
Emax=10.0386707379 nrkept=165 nrkeptmult=340 
Total energy=-1.35413795796  Egs=-0.640644092969
Kept: 165 out of 1012, ratio=0.163
Memory used: 5 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 5/33 (scale 0.033813165020835083) ***** 
[1] xi(4)=0.999025462085 zeta(5)=0
Stats: nr=23 min=1 max=97 sum3=2209770
Emax=10.0376953089 nrkept=245 nrkeptmult=549 
Total energy=-1.4074420106  Egs=-1.57642896216
Kept: 245 out of 606, ratio=0.404
Memory used: 6 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 6/33 (scale 0.016906582510417541) ***** 
[1] xi(5)=0.999755986004 zeta(6)=0
Stats: nr=27 min=1 max=112 sum3=5439853
Emax=10.0136722401 nrkept=157 nrkeptmult=323 
Total energy=-1.41975060808  Egs=-0.728035809278
Kept: 157 out of 913, ratio=0.172
Memory used: 6 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 7/33 (scale 0.0084532912552087707) ***** 
[1] xi(6)=0.99993897276 zeta(7)=0
Stats: nr=21 min=1 max=93 sum3=1945688
Emax=10.2682803878 nrkept=235 nrkeptmult=526 
Total energy=-1.43199960359  Egs=-1.44902087684
Kept: 235 out of 578, ratio=0.407
Memory used: 6 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 8/33 (scale 0.0042266456276043854) ***** 
[1] xi(7)=0.999984741706 zeta(8)=0
Stats: nr=27 min=1 max=109 sum3=4896334
Emax=10.0198390592 nrkept=146 nrkeptmult=301 
Total energy=-1.43556247016  Egs=-0.842953699422
Kept: 146 out of 874, ratio=0.167
Memory used: 6 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 9/33 (scale 0.0021133228138021927) ***** 
[1] xi(8)=0.999996185334 zeta(9)=0
Stats: nr=21 min=1 max=87 sum3=1576221
Emax=10.0112641156 nrkept=170 nrkeptmult=378 
Total energy=-1.43834370629  Egs=-1.31604888565
Kept: 170 out of 537, ratio=0.317
Memory used: 6 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 10/33 (scale 0.0010566614069010963) ***** 
[1] xi(9)=0.999999046328 zeta(10)=0
Stats: nr=25 min=1 max=86 sum3=2083090
Emax=10.2489069967 nrkept=122 nrkeptmult=257 
Total energy=-1.43932582198  Egs=-0.929451651826
Kept: 122 out of 634, ratio=0.192
Memory used: 6 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 11/33 (scale 0.00052833070345054817) ***** 
[1] xi(10)=0.999999761582 zeta(11)=0
Stats: nr=20 min=1 max=73 sum3=958873
Emax=10.0136720853 nrkept=129 nrkeptmult=286 
Total energy=-1.43997620917  Egs=-1.23102287846
Kept: 129 out of 451, ratio=0.286
Memory used: 6 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 12/33 (scale 0.00026416535172527408) ***** 
[1] xi(11)=0.999999940395 zeta(12)=0
Stats: nr=24 min=1 max=69 sum3=977946
Emax=10.1742704088 nrkept=98 nrkeptmult=208 
Total energy=-1.44022556495  Egs=-0.943938249533
Kept: 98 out of 480, ratio=0.204
Memory used: 6 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 13/33 (scale 0.00013208267586263704) ***** 
[1] xi(12)=0.999999985099 zeta(13)=0
Stats: nr=20 min=1 max=58 sum3=490820
Emax=10.1407343172 nrkept=92 nrkeptmult=196 
Total energy=-1.44038409768  Egs=-1.20025382644
Kept: 92 out of 362, ratio=0.254
Memory used: 7 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 14/33 (scale 6.6041337931318521e-05) ***** 
[1] xi(13)=0.999999996275 zeta(14)=0
Stats: nr=22 min=1 max=52 sum3=383524
Emax=10.0183516678 nrkept=72 nrkeptmult=150 
Total energy=-1.44044578388  Egs=-0.93405437501
Kept: 72 out of 340, ratio=0.212
Memory used: 7 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 15/33 (scale 3.3020668965659261e-05) ***** 
[1] xi(14)=0.999999999069 zeta(15)=0
Stats: nr=20 min=1 max=42 sum3=194233
Emax=10.0692725414 nrkept=67 nrkeptmult=140 
Total energy=-1.44048519454  Egs=-1.19351492639
Kept: 67 out of 265, ratio=0.253
Memory used: 7 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 16/33 (scale 1.651033448282963e-05) ***** 
[1] xi(15)=0.999999999767 zeta(16)=0
Stats: nr=20 min=1 max=40 sum3=155592
Emax=10.0179338577 nrkept=60 nrkeptmult=120 
Total energy=-1.44050052711  Egs=-0.928664650167
Kept: 60 out of 246, ratio=0.244
Memory used: 7 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 17/33 (scale 8.2551672414148151e-06) ***** 
[1] xi(16)=0.999999999942 zeta(17)=0
Stats: nr=19 min=1 max=35 sum3=112972
Emax=10.4209367357 nrkept=67 nrkeptmult=137 
Total energy=-1.44051036887  Egs=-1.19219367216
Kept: 67 out of 220, ratio=0.305
Memory used: 7 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 18/33 (scale 4.1275836207074076e-06) ***** 
[1] xi(17)=0.999999999985 zeta(18)=0
Stats: nr=20 min=1 max=40 sum3=155129
Emax=10.1117357706 nrkept=58 nrkeptmult=116 
Total energy=-1.44051419528  Egs=-0.927033540846
Kept: 58 out of 245, ratio=0.237
Memory used: 7 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 19/33 (scale 2.0637918103537038e-06) ***** 
[1] xi(18)=0.999999999996 zeta(19)=0
Stats: nr=19 min=1 max=33 sum3=100508
Emax=10.0145756784 nrkept=61 nrkeptmult=125 
Total energy=-1.44051665511  Egs=-1.19190010233
Kept: 61 out of 212, ratio=0.288
Memory used: 7 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 20/33 (scale 1.0318959051768519e-06) ***** 
[1] xi(19)=0.999999999999 zeta(20)=0
Stats: nr=20 min=1 max=35 sum3=113342
Emax=10.1695154961 nrkept=58 nrkeptmult=116 
Total energy=-1.44051761127  Egs=-0.926605686612
Kept: 58 out of 224, ratio=0.259
Memory used: 7 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 21/33 (scale 5.1594795258842595e-07) ***** 
[1] xi(20)=1 zeta(21)=0
Stats: nr=19 min=1 max=33 sum3=100508
Emax=10.042646621 nrkept=61 nrkeptmult=125 
Total energy=-1.44051822619  Egs=-1.19182915973
Kept: 61 out of 212, ratio=0.288
Memory used: 7 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 22/33 (scale 2.5797397629421297e-07) ***** 
[1] xi(21)=1 zeta(22)=0
Stats: nr=20 min=1 max=35 sum3=113342
Emax=10.1839256607 nrkept=58 nrkeptmult=116 
Total energy=-1.4405184652  Egs=-0.926497528372
Kept: 58 out of 224, ratio=0.259
Memory used: 7 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 23/33 (scale 1.2898698814710649e-07) ***** 
[1] xi(22)=1 zeta(23)=0
Stats: nr=19 min=1 max=33 sum3=100508
Emax=10.04974287 nrkept=61 nrkeptmult=125 
Total energy=-1.44051861893  Egs=-1.19181146475
Kept: 61 out of 212, ratio=0.288
Memory used: 7 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 24/33 (scale 6.4493494073553243e-08) ***** 
[1] xi(23)=1 zeta(24)=0
Stats: nr=20 min=1 max=35 sum3=113342
Emax=10.187525892 nrkept=58 nrkeptmult=116 
Total energy=-1.44051867868  Egs=-0.926470515055
Kept: 58 out of 224, ratio=0.259
Memory used: 7 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 25/33 (scale 3.2246747036776622e-08) ***** 
[1] xi(24)=1 zeta(25)=0
Stats: nr=19 min=1 max=33 sum3=100508
Emax=10.0515221747 nrkept=61 nrkeptmult=125 
Total energy=-1.44051871712  Egs=-1.19180692516
Kept: 61 out of 212, ratio=0.288
Memory used: 7 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 26/33 (scale 1.6123373518388311e-08) ***** 
[1] xi(25)=1 zeta(26)=0
Stats: nr=20 min=1 max=35 sum3=113342
Emax=10.1884255456 nrkept=58 nrkeptmult=116 
Total energy=-1.44051873205  Egs=-0.926463866211
Kept: 58 out of 224, ratio=0.259
Memory used: 7 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 27/33 (scale 8.0616867591941554e-09) ***** 
[1] xi(26)=1 zeta(27)=0
Stats: nr=19 min=1 max=33 sum3=100508
Emax=10.0519675051 nrkept=61 nrkeptmult=125 
Total energy=-1.44051874166  Egs=-1.19180566423
Kept: 61 out of 212, ratio=0.288
Memory used: 7 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 28/33 (scale 4.0308433795970777e-09) ***** 
[1] xi(27)=1 zeta(28)=0
Stats: nr=20 min=1 max=35 sum3=113342
Safeguard: keep additional 1 states
Emax=10.1886596714 nrkept=59 nrkeptmult=118 
Total energy=-1.4405187454  Egs=-0.926462313721
Kept: 59 out of 224, ratio=0.263
Memory used: 7 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 29/33 (scale 2.0154216897985389e-09) ***** 
[1] xi(28)=1 zeta(29)=0
Stats: nr=19 min=1 max=34 sum3=106482
Safeguard: keep additional 3 states
Emax=10.0520858701 nrkept=64 nrkeptmult=132 
Total energy=-1.4405187478  Egs=-1.19180522223
Kept: 64 out of 216, ratio=0.296
Memory used: 7 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 30/33 (scale 1.0077108448992694e-09) ***** 
[1] xi(29)=1 zeta(30)=0
Stats: nr=20 min=1 max=38 sum3=135721
Safeguard: keep additional 2 states
Emax=10.1887142681 nrkept=60 nrkeptmult=120 
Total energy=-1.44051874873  Egs=-0.926462036792
Kept: 60 out of 235, ratio=0.255
Memory used: 7 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 31/33 (scale 5.0385542244963471e-10) ***** 
[1] xi(30)=1 zeta(31)=0
Stats: nr=19 min=1 max=35 sum3=112972
Safeguard: keep additional 5 states
Emax=10.0521113066 nrkept=66 nrkeptmult=136 
Total energy=-1.44051874933  Egs=-1.19180498437
Kept: 66 out of 220, ratio=0.3
Memory used: 7 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 32/33 (scale 2.5192771122481736e-10) ***** 
[1] xi(31)=1 zeta(32)=0
Stats: nr=20 min=1 max=40 sum3=152690
Safeguard: keep additional 2 states
Emax=10.1887215988 nrkept=60 nrkeptmult=120 
Total energy=-1.44051874956  Egs=-0.926462079639
Kept: 60 out of 242, ratio=0.248
Memory used: 7 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 33/33 (scale 1.2596385561240868e-10) ***** 
[1] xi(32)=1 zeta(33)=0
Stats: nr=19 min=1 max=35 sum3=112972
Safeguard: keep additional 5 states
Emax=10.0521151753 nrkept=66 nrkeptmult=136 
Total energy=-1.44051874971  Egs=-1.1918047961
Kept: 66 out of 220, ratio=0.3
Memory used: 7 MB  Time elapsed: 0 s

** Iteration completed.


Total energy:             -1.440518749714751
TKW=0.00040721524831
Grand canonical Z=              4.715189354889618
Zft (last shell)=               4.714494483340014

Memory usage report
===================
  after diag: 7340 kB
after recalc: 7348 kB
 after split: 7340 kB
  after trim: 7348 kB
 after trunc: 7340 kB
      diag_h: 7340 kB

Peak usage: 7352 kB

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