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=43
TEMPERATURE T=1.20669850796e-10
Nmax=43
Tmin=1e-10
Ninit=0
Lambda=3
strategy=kept
lastall=0
lastalloverride=0
z=0.333333333333
discretization=Z
band=flat
betabar=1
T=1.20669850796e-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	 t=	0.
>> 
>>  Gamma^(1/2)=	0.019544100476116797
>>  Lambda=	3.	 BAND=	flat
>>  DISCRETIZATION=	Z	 z=	0.333333333333333
>>  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=3 z=0.333333333333
# keep=5000 keepenergy=10 Nmax=43 channels=1 dots=1 betabar=1

Number of invariant subspaces: 6
(-2 1) 1 states
0.0190588898068 
(-1 2) 2 states
0.00890312383889 0.0269276658458 
(0 1) 3 states
0 0.0190588898068 0.0358307896847 
(0 3) 1 states
0.0167718998779 
(1 2) 2 states
0.00890312383889 0.0269276658458 
(2 1) 1 states
0.0190588898068 
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 1/43 (scale 1.2622492602758408) ***** 
[1] xi(0)=0.47485776515 zeta(1)=0
Stats: nr=10 min=1 max=8 sum3=1055
Emax=1.90439337027 nrkept=35 nrkeptmult=64 
Total energy=-1.19940956145  Egs=-0.921166311031
Kept: 35 out of 35, ratio=1
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 2/43 (scale 0.72875995020466267) ***** 
[1] xi(1)=0.82804395637 zeta(2)=0
Stats: nr=15 min=1 max=20 sum3=30066
Emax=4.74542654516 nrkept=126 nrkeptmult=256 
Total energy=-1.72663840638  Egs=-0.723460235129
Kept: 126 out of 126, ratio=1
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 3/43 (scale 0.42074975342528032) ***** 
[1] xi(2)=1.21197883533 zeta(3)=0
Stats: nr=21 min=1 max=75 sum3=1007202
Emax=10.4565485677 nrkept=439 nrkeptmult=984 
Total energy=-2.52658026513  Egs=-1.90122953665
Kept: 439 out of 462, ratio=0.95
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 4/43 (scale 0.24291998340155421) ***** 
[1] xi(3)=1.1575142539 zeta(4)=0
Stats: nr=28 min=1 max=197 sum3=31110764
Safeguard: keep additional 1 states
Emax=10.6551000121 nrkept=716 nrkeptmult=1700 
Total energy=-2.72733160109  Egs=-0.82640931041
Kept: 716 out of 1634, ratio=0.438
Memory used: 9 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 5/43 (scale 0.14024991780842674) ***** 
[1] xi(4)=1.03781006398 zeta(5)=0
Stats: nr=33 min=2 max=334 sum3=112846582
Safeguard: keep additional 3 states
Emax=10.5430794611 nrkept=495 nrkeptmult=1124 
Total energy=-2.95732717087  Egs=-1.63989807174
Kept: 495 out of 2686, ratio=0.184
Memory used: 12 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 6/43 (scale 0.08097332780051808) ***** 
[1] xi(5)=1.00854348892 zeta(6)=0
Stats: nr=32 min=1 max=219 sum3=43262606
Safeguard: keep additional 6 states
Emax=10.2930311275 nrkept=419 nrkeptmult=975 
Total energy=-3.01629534626  Egs=-0.728241965498
Kept: 419 out of 1844, ratio=0.227
Memory used: 15 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 7/43 (scale 0.046749972602808915) ***** 
[1] xi(6)=1.00251358776 zeta(7)=0
Stats: nr=33 min=1 max=204 sum3=24528289
Safeguard: keep additional 1 states
Emax=10.6188681043 nrkept=389 nrkeptmult=874 
Total energy=-3.08973475864  Egs=-1.57089744208
Kept: 389 out of 1567, ratio=0.248
Memory used: 15 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 8/43 (scale 0.026991109266839359) ***** 
[1] xi(7)=1.00081163609 zeta(8)=0
Stats: nr=28 min=1 max=173 sum3=21206352
Safeguard: keep additional 3 states
Emax=10.3169482539 nrkept=416 nrkeptmult=972 
Total energy=-3.11021126244  Egs=-0.758638839284
Kept: 416 out of 1446, ratio=0.288
Memory used: 15 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 9/43 (scale 0.015583324200936307) ***** 
[1] xi(8)=1.00026795311 zeta(9)=0
Stats: nr=33 min=1 max=203 sum3=24107488
Safeguard: keep additional 1 states
Emax=10.0871925073 nrkept=357 nrkeptmult=806 
Total energy=-3.13379458938  Egs=-1.51336946014
Kept: 357 out of 1558, ratio=0.229
Memory used: 15 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 10/43 (scale 0.0089970364222797857) ***** 
[1] xi(9)=1.00008903845 zeta(10)=0
Stats: nr=28 min=1 max=162 sum3=17066972
Emax=10.3906260198 nrkept=413 nrkeptmult=963 
Total energy=-3.14091628643  Egs=-0.791560322777
Kept: 413 out of 1334, ratio=0.31
Memory used: 15 MB  Time elapsed: 1 s

 ***** [NRG] Iteration 11/43 (scale 0.0051944414003121013) ***** 
[1] xi(10)=1.00002964875 zeta(11)=0
Stats: nr=33 min=1 max=202 sum3=23580328
Emax=10.2296440282 nrkept=340 nrkeptmult=774 
Total energy=-3.1485177576  Egs=-1.46338568233
Kept: 340 out of 1546, ratio=0.22
Memory used: 15 MB  Time elapsed: 1 s

 ***** [NRG] Iteration 12/43 (scale 0.0029990121407599286) ***** 
[1] xi(11)=1.00000987951 zeta(12)=0
Stats: nr=28 min=1 max=153 sum3=14512518
Safeguard: keep additional 2 states
Emax=10.0403340239 nrkept=337 nrkeptmult=775 
Total energy=-3.15096733609  Egs=-0.816795120399
Kept: 337 out of 1272, ratio=0.265
Memory used: 15 MB  Time elapsed: 1 s

 ***** [NRG] Iteration 13/43 (scale 0.0017314804667707005) ***** 
[1] xi(12)=1.00000329279 zeta(13)=0
Stats: nr=31 min=1 max=170 sum3=13707901
Safeguard: keep additional 3 states
Emax=10.0435934879 nrkept=278 nrkeptmult=634 
Total energy=-3.15342765754  Egs=-1.4209351503
Kept: 278 out of 1255, ratio=0.222
Memory used: 15 MB  Time elapsed: 1 s

 ***** [NRG] Iteration 14/43 (scale 0.00099967071358664293) ***** 
[1] xi(13)=1.00000109756 zeta(14)=0
Stats: nr=26 min=1 max=125 sum3=8067396
Safeguard: keep additional 1 states
Emax=10.0089084815 nrkept=259 nrkeptmult=605 
Total energy=-3.15427085348  Egs=-0.843473685292
Kept: 259 out of 1038, ratio=0.25
Memory used: 16 MB  Time elapsed: 1 s

 ***** [NRG] Iteration 15/43 (scale 0.00057716015559023358) ***** 
[1] xi(14)=1.00000036585 zeta(15)=0
Stats: nr=31 min=1 max=134 sum3=6463167
Emax=10.0564359619 nrkept=189 nrkeptmult=446 
Total energy=-3.15506393698  Egs=-1.37411339149
Kept: 189 out of 969, ratio=0.195
Memory used: 16 MB  Time elapsed: 1 s

 ***** [NRG] Iteration 16/43 (scale 0.00033322357119554763) ***** 
[1] xi(15)=1.00000012195 zeta(16)=0
Stats: nr=26 min=1 max=89 sum3=2862718
Safeguard: keep additional 2 states
Emax=10.3057319733 nrkept=213 nrkeptmult=523 
Total energy=-3.15535772424  Egs=-0.881652090051
Kept: 213 out of 712, ratio=0.299
Memory used: 16 MB  Time elapsed: 1 s

 ***** [NRG] Iteration 17/43 (scale 0.00019238671853007784) ***** 
[1] xi(16)=1.00000004065 zeta(17)=0
Stats: nr=31 min=1 max=108 sum3=3544234
Emax=10.0323216975 nrkept=179 nrkeptmult=428 
Total energy=-3.15561034303  Egs=-1.31307808556
Kept: 179 out of 802, ratio=0.223
Memory used: 16 MB  Time elapsed: 1 s

 ***** [NRG] Iteration 18/43 (scale 0.0001110745237318492) ***** 
[1] xi(17)=1.00000001355 zeta(18)=0
Stats: nr=26 min=1 max=82 sum3=2333108
Safeguard: keep additional 2 states
Emax=10.4575541798 nrkept=213 nrkeptmult=523 
Total energy=-3.15571442665  Egs=-0.937061205993
Kept: 213 out of 674, ratio=0.316
Memory used: 16 MB  Time elapsed: 1 s

 ***** [NRG] Iteration 19/43 (scale 6.4128906176692677e-05) ***** 
[1] xi(18)=1.00000000452 zeta(19)=0
Stats: nr=31 min=1 max=108 sum3=3544234
Safeguard: keep additional 2 states
Emax=10.0919585575 nrkept=178 nrkeptmult=424 
Total energy=-3.15579338256  Egs=-1.23120621515
Kept: 178 out of 802, ratio=0.222
Memory used: 16 MB  Time elapsed: 1 s

 ***** [NRG] Iteration 20/43 (scale 3.7024841243949768e-05) ***** 
[1] xi(19)=1.00000000151 zeta(20)=0
Stats: nr=26 min=1 max=82 sum3=2302678
Emax=10.0228649799 nrkept=208 nrkeptmult=516 
Total energy=-3.15583104178  Egs=-1.01713382375
Kept: 208 out of 670, ratio=0.31
Memory used: 16 MB  Time elapsed: 1 s

 ***** [NRG] Iteration 21/43 (scale 2.1376302058897561e-05) ***** 
[1] xi(20)=1.0000000005 zeta(21)=0
Stats: nr=31 min=1 max=105 sum3=3290513
Safeguard: keep additional 1 states
Emax=10.0744157393 nrkept=177 nrkeptmult=414 
Total energy=-3.15585502936  Egs=-1.12215751393
Kept: 177 out of 785, ratio=0.225
Memory used: 16 MB  Time elapsed: 1 s

 ***** [NRG] Iteration 22/43 (scale 1.2341613747983258e-05) ***** 
[1] xi(21)=1.00000000017 zeta(22)=0
Stats: nr=26 min=1 max=83 sum3=2328838
Emax=10.0630589721 nrkept=205 nrkeptmult=501 
Total energy=-3.15586900608  Egs=-1.1324870782
Kept: 205 out of 664, ratio=0.309
Memory used: 16 MB  Time elapsed: 1 s

 ***** [NRG] Iteration 23/43 (scale 7.1254340196325204e-06) ***** 
[1] xi(22)=1.00000000006 zeta(23)=0
Stats: nr=29 min=1 max=104 sum3=3207713
Emax=10.0142893898 nrkept=172 nrkeptmult=406 
Total energy=-3.15587602298  Egs=-0.984768189502
Kept: 172 out of 773, ratio=0.223
Memory used: 16 MB  Time elapsed: 1 s

 ***** [NRG] Iteration 24/43 (scale 4.1138712493277525e-06) ***** 
[1] xi(23)=1.00000000002 zeta(24)=0
Stats: nr=26 min=1 max=80 sum3=2123248
Safeguard: keep additional 3 states
Emax=10.001647304 nrkept=178 nrkeptmult=412 
Total energy=-3.15588132823  Egs=-1.28960203821
Kept: 178 out of 646, ratio=0.276
Memory used: 16 MB  Time elapsed: 1 s

 ***** [NRG] Iteration 25/43 (scale 2.3751446732108397e-06) ***** 
[1] xi(24)=1.00000000001 zeta(25)=0
Stats: nr=27 min=1 max=95 sum3=2323411
Emax=10.0953476664 nrkept=169 nrkeptmult=396 
Total energy=-3.15588332015  Egs=-0.838651018352
Kept: 169 out of 667, ratio=0.253
Memory used: 16 MB  Time elapsed: 1 s

 ***** [NRG] Iteration 26/43 (scale 1.3712904164425841e-06) ***** 
[1] xi(25)=1 zeta(26)=0
Stats: nr=26 min=1 max=79 sum3=2005426
Emax=10.1023665953 nrkept=165 nrkeptmult=375 
Total energy=-3.15588533119  Egs=-1.46652911494
Kept: 165 out of 634, ratio=0.26
Memory used: 16 MB  Time elapsed: 1 s

 ***** [NRG] Iteration 27/43 (scale 7.9171489107028001e-07) ***** 
[1] xi(26)=1 zeta(27)=0
Stats: nr=27 min=1 max=90 sum3=1890417
Safeguard: keep additional 1 states
Emax=10.1182151682 nrkept=161 nrkeptmult=370 
Total energy=-3.15588590619  Egs=-0.726279948912
Kept: 161 out of 615, ratio=0.262
Memory used: 16 MB  Time elapsed: 1 s

 ***** [NRG] Iteration 28/43 (scale 4.5709680548086144e-07) ***** 
[1] xi(27)=1 zeta(28)=0
Stats: nr=25 min=1 max=75 sum3=1749488
Emax=10.006844146 nrkept=134 nrkeptmult=290 
Total energy=-3.15588663973  Egs=-1.6047710225
Kept: 134 out of 602, ratio=0.223
Memory used: 16 MB  Time elapsed: 1 s

 ***** [NRG] Iteration 29/43 (scale 2.6390496369009334e-07) ***** 
[1] xi(28)=1 zeta(29)=0
Stats: nr=21 min=1 max=77 sum3=1141937
Safeguard: keep additional 2 states
Emax=10.0906867089 nrkept=148 nrkeptmult=324 
Total energy=-3.15588681565  Egs=-0.666593803054
Kept: 148 out of 497, ratio=0.298
Memory used: 16 MB  Time elapsed: 1 s

 ***** [NRG] Iteration 30/43 (scale 1.5236560182695378e-07) ***** 
[1] xi(29)=1 zeta(30)=0
Stats: nr=25 min=1 max=71 sum3=1411012
Emax=10.0761201773 nrkept=117 nrkeptmult=243 
Total energy=-3.15588707113  Egs=-1.67674814101
Kept: 117 out of 550, ratio=0.213
Memory used: 16 MB  Time elapsed: 1 s

 ***** [NRG] Iteration 31/43 (scale 8.7968321230031104e-08) ***** 
[1] xi(30)=1 zeta(31)=0
Stats: nr=21 min=1 max=68 sum3=768935
Safeguard: keep additional 1 states
Emax=10.0220735181 nrkept=128 nrkeptmult=286 
Total energy=-3.15588712761  Egs=-0.642089275873
Kept: 128 out of 431, ratio=0.297
Memory used: 16 MB  Time elapsed: 1 s

 ***** [NRG] Iteration 32/43 (scale 5.0788533942317932e-08) ***** 
[1] xi(31)=1 zeta(32)=0
Stats: nr=25 min=1 max=61 sum3=927272
Safeguard: keep additional 1 states
Emax=10.069466183 nrkept=108 nrkeptmult=220 
Total energy=-3.15588721423  Egs=-1.70551886313
Kept: 108 out of 476, ratio=0.227
Memory used: 16 MB  Time elapsed: 1 s

 ***** [NRG] Iteration 33/43 (scale 2.9322773743343701e-08) ***** 
[1] xi(32)=1 zeta(33)=0
Stats: nr=21 min=1 max=63 sum3=612299
Emax=10.0884147867 nrkept=112 nrkeptmult=244 
Total energy=-3.1558872328  Egs=-0.633231380162
Kept: 112 out of 395, ratio=0.284
Memory used: 16 MB  Time elapsed: 1 s

 ***** [NRG] Iteration 34/43 (scale 1.6929511314105979e-08) ***** 
[1] xi(33)=1 zeta(34)=0
Stats: nr=25 min=1 max=54 sum3=614330
Safeguard: keep additional 1 states
Emax=10.4107845767 nrkept=108 nrkeptmult=220 
Total energy=-3.15588726185  Egs=-1.71575254605
Kept: 108 out of 416, ratio=0.26
Memory used: 16 MB  Time elapsed: 1 s

 ***** [NRG] Iteration 35/43 (scale 9.7742579144479021e-09) ***** 
[1] xi(34)=1 zeta(35)=0
Stats: nr=21 min=1 max=63 sum3=612299
Emax=10.2206698404 nrkept=112 nrkeptmult=244 
Total energy=-3.155887268  Egs=-0.63019185158
Kept: 112 out of 395, ratio=0.284
Memory used: 16 MB  Time elapsed: 1 s

 ***** [NRG] Iteration 36/43 (scale 5.6431704380353256e-09) ***** 
[1] xi(35)=1 zeta(36)=0
Stats: nr=25 min=1 max=54 sum3=614330
Safeguard: keep additional 1 states
Emax=10.5356755032 nrkept=108 nrkeptmult=220 
Total energy=-3.15588727771  Egs=-1.71924015411
Kept: 108 out of 416, ratio=0.26
Memory used: 16 MB  Time elapsed: 1 s

 ***** [NRG] Iteration 37/43 (scale 3.2580859714826339e-09) ***** 
[1] xi(36)=1 zeta(37)=0
Stats: nr=21 min=1 max=63 sum3=612299
Emax=10.2625309461 nrkept=112 nrkeptmult=244 
Total energy=-3.15588727976  Egs=-0.629168554805
Kept: 112 out of 395, ratio=0.284
Memory used: 16 MB  Time elapsed: 1 s

 ***** [NRG] Iteration 38/43 (scale 1.881056812678442e-09) ***** 
[1] xi(37)=1 zeta(38)=0
Stats: nr=25 min=1 max=54 sum3=614330
Safeguard: keep additional 1 states
Emax=10.5781517234 nrkept=108 nrkeptmult=220 
Total energy=-3.15588728299  Egs=-1.72041136604
Kept: 108 out of 416, ratio=0.26
Memory used: 16 MB  Time elapsed: 1 s

 ***** [NRG] Iteration 39/43 (scale 1.086028657160878e-09) ***** 
[1] xi(38)=1 zeta(39)=0
Stats: nr=21 min=1 max=63 sum3=612299
Emax=10.2764244748 nrkept=112 nrkeptmult=244 
Total energy=-3.15588728368  Egs=-0.628826313442
Kept: 112 out of 395, ratio=0.284
Memory used: 16 MB  Time elapsed: 1 s

 ***** [NRG] Iteration 40/43 (scale 6.2701893755948074e-10) ***** 
[1] xi(39)=1 zeta(40)=0
Stats: nr=25 min=1 max=54 sum3=614330
Safeguard: keep additional 1 states
Emax=10.5900369088 nrkept=108 nrkeptmult=224 
Total energy=-3.15588728475  Egs=-1.7208027388
Kept: 108 out of 416, ratio=0.26
Memory used: 16 MB  Time elapsed: 1 s

 ***** [NRG] Iteration 41/43 (scale 3.620095523869593e-10) ***** 
[1] xi(40)=1 zeta(41)=0
Stats: nr=21 min=1 max=61 sum3=575735
Emax=10.2810497434 nrkept=112 nrkeptmult=244 
Total energy=-3.15588728498  Egs=-0.628712105123
Kept: 112 out of 395, ratio=0.284
Memory used: 16 MB  Time elapsed: 1 s

 ***** [NRG] Iteration 42/43 (scale 2.0900631251982687e-10) ***** 
[1] xi(41)=1 zeta(42)=0
Stats: nr=25 min=1 max=54 sum3=614330
Safeguard: keep additional 1 states
Emax=10.5918979197 nrkept=108 nrkeptmult=224 
Total energy=-3.15588728534  Egs=-1.7209332896
Kept: 108 out of 416, ratio=0.26
Memory used: 16 MB  Time elapsed: 1 s

 ***** [NRG] Iteration 43/43 (scale 1.206698507956531e-10) ***** 
[1] xi(42)=1 zeta(43)=0
Stats: nr=21 min=1 max=61 sum3=575735
Emax=10.2825921838 nrkept=112 nrkeptmult=244 
Total energy=-3.15588728542  Egs=-0.62867402093
Kept: 112 out of 395, ratio=0.284
Memory used: 16 MB  Time elapsed: 1 s

** Iteration completed.


Total energy:             -3.155887285418026
TKW=1.19100737693e-06
Grand canonical Z=              8.021955082674886
Zft (last shell)=               8.018347811679584

Memory usage report
===================
  after diag: 17024 kB
after recalc: 17036 kB
 after split: 17124 kB
  after trim: 17036 kB
 after trunc: 17024 kB
      diag_h: 17024 kB

Peak usage: 17124 kB

Timing report
=============
         All: 1 s
        diag: 1 s
    recalc f: 0 s
       Other: 0 s
