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=42
TEMPERATURE T=1.44916883196e-10
Nmax=42
Tmin=1e-10
Ninit=0
Lambda=3
strategy=kept
lastall=0
lastalloverride=0
z=0.666666666667
discretization=Z
band=flat
betabar=1
T=1.44916883196e-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=	0.666666666666667
>>  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=0.666666666667
# keep=5000 keepenergy=10 Nmax=42 channels=1 dots=1 betabar=1

Number of invariant subspaces: 6
(-2 1) 1 states
0.0274876756343 
(-1 2) 2 states
0.012840526531 0.0388364144954 
(0 1) 3 states
0 0.0274876756343 0.0516769410265 
(0 3) 1 states
0.0241892653921 
(1 2) 2 states
0.012840526531 0.0388364144954 
(2 1) 1 states
0.0274876756343 
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 1/42 (scale 0.87519475565300231) ***** 
[1] xi(0)=0.690900486756 zeta(1)=0
Stats: nr=10 min=1 max=8 sum3=1055
Emax=2.77074632914 nrkept=35 nrkeptmult=64 
Total energy=-1.20997132825  Egs=-1.34061962085
Kept: 35 out of 35, ratio=1
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 2/42 (scale 0.50529392776960969) ***** 
[1] xi(1)=0.969565279973 zeta(2)=0
Stats: nr=15 min=1 max=20 sum3=30066
Emax=6.2596845015 nrkept=126 nrkeptmult=256 
Total energy=-1.57899028418  Egs=-0.730305542274
Kept: 126 out of 126, ratio=1
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 3/42 (scale 0.29173158521766746) ***** 
[1] xi(2)=1.06150625948 zeta(3)=0
Stats: nr=21 min=1 max=75 sum3=1007202
Safeguard: keep additional 7 states
Emax=10.6725435904 nrkept=399 nrkeptmult=904 
Total energy=-2.07566504953  Egs=-1.70250596959
Kept: 399 out of 462, ratio=0.864
Memory used: 4 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 4/42 (scale 0.16843130925653657) ***** 
[1] xi(3)=1.02044028085 zeta(4)=0
Stats: nr=28 min=1 max=176 sum3=22434060
Safeguard: keep additional 1 states
Emax=10.0064756634 nrkept=532 nrkeptmult=1240 
Total energy=-2.19566868614  Egs=-0.712478203388
Kept: 532 out of 1488, ratio=0.358
Memory used: 9 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 5/42 (scale 0.09724386173922249) ***** 
[1] xi(4)=1.00352379658 zeta(5)=0
Stats: nr=33 min=1 max=254 sum3=48449274
Safeguard: keep additional 1 states
Emax=10.6060527656 nrkept=429 nrkeptmult=970 
Total energy=-2.35187031207  Egs=-1.6062877711
Kept: 429 out of 1986, ratio=0.216
Memory used: 12 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 6/42 (scale 0.05614376975217885) ***** 
[1] xi(5)=1.00074583409 zeta(6)=0
Stats: nr=28 min=1 max=190 sum3=28097840
Safeguard: keep additional 7 states
Emax=10.2993883497 nrkept=420 nrkeptmult=976 
Total energy=-2.39304015788  Egs=-0.733293221878
Kept: 420 out of 1598, ratio=0.263
Memory used: 14 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 7/42 (scale 0.03241462057974083) ***** 
[1] xi(6)=1.00021274994 zeta(7)=0
Stats: nr=33 min=1 max=205 sum3=24752824
Safeguard: keep additional 1 states
Emax=10.6265771224 nrkept=389 nrkeptmult=874 
Total energy=-2.44331058435  Egs=-1.55085654477
Kept: 389 out of 1570, ratio=0.248
Memory used: 16 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 8/42 (scale 0.01871458991739295) ***** 
[1] xi(7)=1.00006758317 zeta(8)=0
Stats: nr=28 min=1 max=173 sum3=21206352
Emax=10.3324043056 nrkept=413 nrkeptmult=963 
Total energy=-2.45772158946  Egs=-0.770041191103
Kept: 413 out of 1446, ratio=0.286
Memory used: 16 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 9/42 (scale 0.010804873526580275) ***** 
[1] xi(8)=1.00002217748 zeta(9)=0
Stats: nr=33 min=1 max=202 sum3=23580328
Safeguard: keep additional 1 states
Emax=10.1709712264 nrkept=357 nrkeptmult=802 
Total energy=-2.47387987399  Egs=-1.49546262473
Kept: 357 out of 1546, ratio=0.231
Memory used: 17 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 10/42 (scale 0.0062381966391309831) ***** 
[1] xi(9)=1.00000735421 zeta(10)=0
Stats: nr=28 min=1 max=162 sum3=17013396
Emax=10.4493301064 nrkept=413 nrkeptmult=963 
Total energy=-2.47887408329  Egs=-0.800585423901
Kept: 413 out of 1332, ratio=0.31
Memory used: 17 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 11/42 (scale 0.0036016245088600924) ***** 
[1] xi(10)=1.00000244717 zeta(11)=0
Stats: nr=33 min=1 max=202 sum3=23580328
Emax=10.0168339411 nrkept=327 nrkeptmult=740 
Total energy=-2.48409242244  Egs=-1.44888484037
Kept: 327 out of 1546, ratio=0.212
Memory used: 17 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 12/42 (scale 0.0020793988797103277) ***** 
[1] xi(11)=1.00000081525 zeta(12)=0
Stats: nr=28 min=1 max=146 sum3=12674510
Safeguard: keep additional 1 states
Emax=10.0405201765 nrkept=332 nrkeptmult=768 
Total energy=-2.48580767366  Egs=-0.824878399773
Kept: 332 out of 1220, ratio=0.272
Memory used: 17 MB  Time elapsed: 1 s

 ***** [NRG] Iteration 13/42 (scale 0.0012005415029533639) ***** 
[1] xi(12)=1.0000002717 zeta(13)=0
Stats: nr=31 min=1 max=167 sum3=13035410
Safeguard: keep additional 3 states
Emax=10.0034755873 nrkept=249 nrkeptmult=574 
Total energy=-2.48749615155  Egs=-1.4064302519
Kept: 249 out of 1238, ratio=0.201
Memory used: 17 MB  Time elapsed: 1 s

 ***** [NRG] Iteration 14/42 (scale 0.0006931329599034426) ***** 
[1] xi(13)=1.00000009056 zeta(14)=0
Stats: nr=26 min=1 max=112 sum3=5863164
Safeguard: keep additional 2 states
Emax=10.1398775855 nrkept=235 nrkeptmult=563 
Total energy=-2.48808850759  Egs=-0.854606662291
Kept: 235 out of 930, ratio=0.253
Memory used: 17 MB  Time elapsed: 1 s

 ***** [NRG] Iteration 15/42 (scale 0.00040018050098445469) ***** 
[1] xi(14)=1.00000003019 zeta(15)=0
Stats: nr=31 min=1 max=122 sum3=4917132
Safeguard: keep additional 1 states
Emax=10.117986881 nrkept=185 nrkeptmult=438 
Total energy=-2.48863103331  Egs=-1.35570252042
Kept: 185 out of 882, ratio=0.21
Memory used: 17 MB  Time elapsed: 1 s

 ***** [NRG] Iteration 16/42 (scale 0.00023104431996781423) ***** 
[1] xi(15)=1.00000001006 zeta(16)=0
Stats: nr=26 min=1 max=86 sum3=2628288
Safeguard: keep additional 2 states
Emax=10.3730875611 nrkept=213 nrkeptmult=523 
Total energy=-2.48883848881  Egs=-0.89790347621
Kept: 213 out of 696, ratio=0.306
Memory used: 17 MB  Time elapsed: 1 s

 ***** [NRG] Iteration 17/42 (scale 0.00013339350032815156) ***** 
[1] xi(16)=1.00000000335 zeta(17)=0
Stats: nr=31 min=1 max=108 sum3=3544234
Safeguard: keep additional 2 states
Emax=10.030238609 nrkept=178 nrkeptmult=424 
Total energy=-2.48901035866  Egs=-1.28844251769
Kept: 178 out of 802, ratio=0.222
Memory used: 17 MB  Time elapsed: 1 s

 ***** [NRG] Iteration 18/42 (scale 7.7014773322604661e-05) ***** 
[1] xi(17)=1.00000000112 zeta(18)=0
Stats: nr=26 min=1 max=82 sum3=2302678
Safeguard: keep additional 2 states
Emax=10.4908258502 nrkept=213 nrkeptmult=523 
Total energy=-2.48908433281  Egs=-0.960518936944
Kept: 213 out of 670, ratio=0.318
Memory used: 17 MB  Time elapsed: 1 s

 ***** [NRG] Iteration 19/42 (scale 4.446450010938381e-05) ***** 
[1] xi(18)=1.00000000037 zeta(19)=0
Stats: nr=31 min=1 max=108 sum3=3544234
Safeguard: keep additional 1 states
Emax=10.1020505123 nrkept=177 nrkeptmult=414 
Total energy=-2.48913760873  Egs=-1.1981674068
Kept: 177 out of 802, ratio=0.221
Memory used: 17 MB  Time elapsed: 1 s

 ***** [NRG] Iteration 20/42 (scale 2.5671591107534887e-05) ***** 
[1] xi(19)=1.00000000012 zeta(20)=0
Stats: nr=26 min=1 max=83 sum3=2328838
Emax=10.011567247 nrkept=207 nrkeptmult=513 
Total energy=-2.48916459185  Egs=-1.05108881057
Kept: 207 out of 664, ratio=0.312
Memory used: 17 MB  Time elapsed: 1 s

 ***** [NRG] Iteration 21/42 (scale 1.482150003646127e-05) ***** 
[1] xi(20)=1.00000000004 zeta(21)=0
Stats: nr=31 min=1 max=104 sum3=3210253
Safeguard: keep additional 1 states
Emax=10.0639368158 nrkept=177 nrkeptmult=414 
Total energy=-2.48918058707  Egs=-1.07919019869
Kept: 177 out of 781, ratio=0.227
Memory used: 17 MB  Time elapsed: 1 s

 ***** [NRG] Iteration 22/42 (scale 8.5571970358449623e-06) ***** 
[1] xi(21)=1.00000000001 zeta(22)=0
Stats: nr=26 min=1 max=83 sum3=2328838
Safeguard: keep additional 1 states
Emax=10.0007577393 nrkept=197 nrkeptmult=471 
Total energy=-2.48919068764  Egs=-1.18035999966
Kept: 197 out of 664, ratio=0.297
Memory used: 17 MB  Time elapsed: 1 s

 ***** [NRG] Iteration 23/42 (scale 4.9405000121537568e-06) ***** 
[1] xi(22)=1 zeta(23)=0
Stats: nr=29 min=1 max=102 sum3=2985292
Safeguard: keep additional 1 states
Emax=10.0509318965 nrkept=171 nrkeptmult=402 
Total energy=-2.48919530785  Egs=-0.935170268013
Kept: 171 out of 742, ratio=0.23
Memory used: 17 MB  Time elapsed: 1 s

 ***** [NRG] Iteration 24/42 (scale 2.8523990119483206e-06) ***** 
[1] xi(23)=1 zeta(24)=0
Stats: nr=26 min=1 max=80 sum3=2095848
Safeguard: keep additional 1 states
Emax=10.0665011442 nrkept=171 nrkeptmult=395 
Total energy=-2.48919915523  Egs=-1.34882478867
Kept: 171 out of 642, ratio=0.266
Memory used: 17 MB  Time elapsed: 1 s

 ***** [NRG] Iteration 25/42 (scale 1.6468333373845855e-06) ***** 
[1] xi(24)=1 zeta(25)=0
Stats: nr=27 min=1 max=92 sum3=2081511
Safeguard: keep additional 2 states
Emax=10.0555706779 nrkept=166 nrkeptmult=384 
Total energy=-2.48920046533  Egs=-0.795522294577
Kept: 166 out of 639, ratio=0.26
Memory used: 17 MB  Time elapsed: 1 s

 ***** [NRG] Iteration 26/42 (scale 9.5079967064944021e-07) ***** 
[1] xi(25)=1 zeta(26)=0
Stats: nr=26 min=1 max=78 sum3=1930246
Safeguard: keep additional 1 states
Emax=10.0288634487 nrkept=153 nrkeptmult=341 
Total energy=-2.48920191023  Egs=-1.51967533002
Kept: 153 out of 622, ratio=0.246
Memory used: 17 MB  Time elapsed: 1 s

 ***** [NRG] Iteration 27/42 (scale 5.4894444579486188e-07) ***** 
[1] xi(26)=1 zeta(27)=0
Stats: nr=25 min=1 max=85 sum3=1573380
Emax=10.018874487 nrkept=155 nrkeptmult=352 
Total energy=-2.48920229505  Egs=-0.70100767447
Kept: 155 out of 570, ratio=0.272
Memory used: 17 MB  Time elapsed: 1 s

 ***** [NRG] Iteration 28/42 (scale 3.1693322354981344e-07) ***** 
[1] xi(27)=1 zeta(28)=0
Stats: nr=25 min=1 max=72 sum3=1520960
Safeguard: keep additional 1 states
Emax=10.028821796 nrkept=128 nrkeptmult=272 
Total energy=-2.48920281339  Egs=-1.63549432597
Kept: 128 out of 578, ratio=0.221
Memory used: 17 MB  Time elapsed: 1 s

 ***** [NRG] Iteration 29/42 (scale 1.8298148193162061e-07) ***** 
[1] xi(28)=1 zeta(29)=0
Stats: nr=21 min=1 max=75 sum3=1027062
Safeguard: keep additional 2 states
Emax=10.1573146116 nrkept=148 nrkeptmult=324 
Total energy=-2.48920293337  Egs=-0.655686805724
Kept: 148 out of 474, ratio=0.312
Memory used: 17 MB  Time elapsed: 1 s

 ***** [NRG] Iteration 30/42 (scale 1.056444078499378e-07) ***** 
[1] xi(29)=1 zeta(30)=0
Stats: nr=25 min=1 max=71 sum3=1411012
Safeguard: keep additional 1 states
Emax=10.2395971543 nrkept=118 nrkeptmult=244 
Total energy=-2.48920311187  Egs=-1.68962925734
Kept: 118 out of 550, ratio=0.215
Memory used: 17 MB  Time elapsed: 1 s

 ***** [NRG] Iteration 31/42 (scale 6.0993827310540203e-08) ***** 
[1] xi(30)=1 zeta(31)=0
Stats: nr=21 min=1 max=69 sum3=801675
Safeguard: keep additional 1 states
Emax=10.0327526444 nrkept=120 nrkeptmult=268 
Total energy=-2.48920315079  Egs=-0.638064419193
Kept: 120 out of 435, ratio=0.276
Memory used: 17 MB  Time elapsed: 1 s

 ***** [NRG] Iteration 32/42 (scale 3.5214802616645939e-08) ***** 
[1] xi(31)=1 zeta(32)=0
Stats: nr=25 min=1 max=58 sum3=785656
Safeguard: keep additional 1 states
Emax=10.2195901294 nrkept=108 nrkeptmult=220 
Total energy=-2.48920321101  Egs=-1.71018127641
Kept: 108 out of 448, ratio=0.241
Memory used: 17 MB  Time elapsed: 1 s

 ***** [NRG] Iteration 33/42 (scale 2.033127577018007e-08) ***** 
[1] xi(32)=1 zeta(33)=0
Stats: nr=21 min=1 max=63 sum3=612299
Emax=10.1510977717 nrkept=112 nrkeptmult=244 
Total energy=-2.48920322386  Egs=-0.631839678924
Kept: 112 out of 395, ratio=0.284
Memory used: 17 MB  Time elapsed: 1 s

 ***** [NRG] Iteration 34/42 (scale 1.1738267538881979e-08) ***** 
[1] xi(33)=1 zeta(34)=0
Stats: nr=25 min=1 max=54 sum3=614330
Safeguard: keep additional 1 states
Emax=10.4675841328 nrkept=108 nrkeptmult=220 
Total energy=-2.48920324402  Egs=-1.71735100613
Kept: 108 out of 416, ratio=0.26
Memory used: 17 MB  Time elapsed: 1 s

 ***** [NRG] Iteration 35/42 (scale 6.7770919233933563e-09) ***** 
[1] xi(34)=1 zeta(35)=0
Stats: nr=21 min=1 max=63 sum3=612299
Emax=10.2399629369 nrkept=112 nrkeptmult=244 
Total energy=-2.48920324828  Egs=-0.629722068395
Kept: 112 out of 395, ratio=0.284
Memory used: 17 MB  Time elapsed: 1 s

 ***** [NRG] Iteration 36/42 (scale 3.9127558462939926e-09) ***** 
[1] xi(35)=1 zeta(36)=0
Stats: nr=25 min=1 max=54 sum3=614330
Safeguard: keep additional 1 states
Emax=10.5552118831 nrkept=108 nrkeptmult=220 
Total energy=-2.48920325501  Egs=-1.71977803011
Kept: 108 out of 416, ratio=0.26
Memory used: 17 MB  Time elapsed: 1 s

 ***** [NRG] Iteration 37/42 (scale 2.2590306411311188e-09) ***** 
[1] xi(36)=1 zeta(37)=0
Stats: nr=21 min=1 max=63 sum3=612299
Emax=10.2689195923 nrkept=112 nrkeptmult=244 
Total energy=-2.48920325643  Egs=-0.629011294242
Kept: 112 out of 395, ratio=0.284
Memory used: 17 MB  Time elapsed: 1 s

 ***** [NRG] Iteration 38/42 (scale 1.3042519487646642e-09) ***** 
[1] xi(37)=1 zeta(38)=0
Stats: nr=25 min=1 max=54 sum3=614330
Safeguard: keep additional 1 states
Emax=10.5844299932 nrkept=108 nrkeptmult=220 
Total energy=-2.48920325868  Egs=-1.72059122416
Kept: 108 out of 416, ratio=0.26
Memory used: 17 MB  Time elapsed: 1 s

 ***** [NRG] Iteration 39/42 (scale 7.5301021371037289e-10) ***** 
[1] xi(38)=1 zeta(39)=0
Stats: nr=21 min=1 max=63 sum3=612299
Emax=10.2785525396 nrkept=112 nrkeptmult=244 
Total energy=-2.48920325915  Egs=-0.628773818799
Kept: 112 out of 395, ratio=0.284
Memory used: 17 MB  Time elapsed: 1 s

 ***** [NRG] Iteration 40/42 (scale 4.347506495882214e-10) ***** 
[1] xi(39)=1 zeta(40)=0
Stats: nr=25 min=1 max=54 sum3=614330
Safeguard: keep additional 1 states
Emax=10.5909541578 nrkept=108 nrkeptmult=224 
Total energy=-2.4892032599  Egs=-1.72086275205
Kept: 108 out of 416, ratio=0.26
Memory used: 17 MB  Time elapsed: 1 s

 ***** [NRG] Iteration 41/42 (scale 2.510034045701243e-10) ***** 
[1] xi(40)=1 zeta(41)=0
Stats: nr=21 min=1 max=61 sum3=575735
Emax=10.2817587735 nrkept=112 nrkeptmult=244 
Total energy=-2.48920326006  Egs=-0.628694598545
Kept: 112 out of 395, ratio=0.284
Memory used: 17 MB  Time elapsed: 1 s

 ***** [NRG] Iteration 42/42 (scale 1.449168831960738e-10) ***** 
[1] xi(41)=1 zeta(42)=0
Stats: nr=25 min=1 max=54 sum3=614330
Safeguard: keep additional 1 states
Emax=10.5921493198 nrkept=108 nrkeptmult=224 
Total energy=-2.48920326031  Egs=-1.72095330079
Kept: 108 out of 416, ratio=0.26
Memory used: 17 MB  Time elapsed: 1 s

** Iteration completed.


Total energy:             -2.489203260306426
TKW=1.13996522899e-06
Grand canonical Z=              5.364000888097954
Zft (last shell)=               5.362105210549286

Memory usage report
===================
  after diag: 18200 kB
after recalc: 18220 kB
 after split: 18216 kB
  after trim: 18220 kB
 after trunc: 18208 kB
      diag_h: 18200 kB

Peak usage: 18220 kB

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