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 May 31 2013 at 20:34:53

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=10000
keepenergy=5
keepmin=200
keepblock=0
keepzrescale=0
log=At
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=100
dumpscaled=0
dumpabs=0
dumpprecision=8
dumpgroups=1
grouptol=1e-20
dumpdiagonal=0
ops=n_d n_d^2 pair_d hop0 hop1 JC
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=dsyevr
diagratio=0.5
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: SPSU2
>>  $Id: initial.m,v 1.1 2012/05/15 09:58:19 rokzitko Exp rokzitko $
>>  Using sneg version 	1.233
>>  Model: 	sds.m	 Variant: 		 Channels: 	2
>>  U=	1.	 Gamma=	0.04	 Delta=	0	 t=	0.
>> 
>>  Gamma^(1/2)=	0.15957691216057307
>>  Lambda=	4.	 BAND=	flat
>>  DISCRETIZATION=	Z	 z=	1.
>>  ops=	n_d n_d^2 pair_d hop0 hop1 JC
V7
>>  Number of channels, impurities, subspaces: 
channels=2 impurities=1 subspaces=4
Reading <||||> (e)
Reading <||n_d||> (s)
Reading <||n_d^2||> (s)
Reading <||hop0||> (s)
Reading <||pair_d||> (s)
Reading <||hop1||> (s)
Reading <||JC||> (s)
Reading <||||> (z)
Reading <||||> (Z)

# $Id: nrg.cc,v 1.31 2012/10/26 10:18:22 rokzitko Exp rokzitko $ SPSU2
# disk=Z band=flat Lambda=4 z=1
# keep=10000 keepenergy=5 Nmax=33 channels=2 dots=1 betabar=1

Number of invariant subspaces: 4
(1) 14 states
0 0.000369678496299 0.100589023551 0.100929667213 0.605544790226 0.605729448009 0.605914468723 0.605914468723 0.606099126506 0.606284147219 0.648956954273 0.648985989107 0.749361320041 0.749730998537 
(2) 14 states
0.000184839248149 0.100404184303 0.100744827965 0.100773862799 0.101114506462 0.143816348349 0.605729629474 0.605914287257 0.606099307971 0.648772115024 0.648801149859 0.649141793521 0.649170828355 0.749546159289 
(3) 6 states
0.100589023551 0.100929667213 0.143631509101 0.144001187597 0.648956954273 0.648985989107 
(4) 1 states
0.143816348349 
Number of states (multiplicity taken into account): 64

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

Computing the following spectra:

Before NRG iteration (N=-1)
<JC>=4.66691691025e-18
<hop0>=-0.139741880238
<hop1>=-0.0374437239585
<n_d>=1
<n_d^2>=1.38728693863
<pair_d>=-6.37315053969e-08

 ***** [NRG] Iteration 1/33 (scale 0.54101064033336133) ***** 
[1] xi(0)=0.872871560944 zeta(1)=0
[2] xi(0)=0.872871560944 zeta(1)=0
Stats: nr=6 min=1 max=165 sum3=8209278
LAPACK, dim=165 (dsyevr)
Elapsed: 0.0185990333557
LAPACK, dim=132 (dsyevr)
Elapsed: 0.0117280483246
LAPACK, dim=110 (dsyevr)
Elapsed: 0.0060031414032
LAPACK, dim=44 (dsyev)
Elapsed: 0.00133013725281
LAPACK, dim=10 (dsyev)
Elapsed: 0.000137090682983
LAPACK, dim=1 (dsyev)
Elapsed: 3.60012054443e-05
Emax=5.05434250945 nrkept=246 nrkeptmult=577 

Restarting this iteration step. diagratio=1

LAPACK, dim=165 (dsyevr)
Elapsed: 0.0146608352661
LAPACK, dim=132 (dsyevr)
Elapsed: 0.00886797904968
LAPACK, dim=110 (dsyevr)
Elapsed: 0.00795483589172
LAPACK, dim=44 (dsyev)
Elapsed: 0.00123596191406
LAPACK, dim=10 (dsyev)
Elapsed: 0.000116109848022
LAPACK, dim=1 (dsyev)
Elapsed: 3.40938568115e-05
Emax=5.05365278814 nrkept=347 nrkeptmult=776 
Total energy=-1.91549472049  Egs=-3.252953343
Kept: 347 out of 462, ratio=0.751
<JC>=2.85393133319e-08
<hop0>=-0.256326316641
<hop1>=-0.0686820592377
<n_d>=1
<n_d^2>=1.28134335366
<pair_d>=-4.37358136693e-07
Memory used: 10 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 2/33 (scale 0.27050532016668066) ***** 
[1] xi(1)=0.945372903138 zeta(2)=0
[2] xi(1)=0.945372903138 zeta(2)=0
Stats: nr=8 min=1 max=1466 sum3=6504808312
LAPACK, dim=1466 (dsyevr)
Elapsed: 2.15794682503
LAPACK, dim=1224 (dsyevr)
Elapsed: 1.28407883644
LAPACK, dim=1048 (dsyevr)
Elapsed: 0.974212169647
LAPACK, dim=703 (dsyevr)
Elapsed: 0.345470905304
LAPACK, dim=278 (dsyevr)
Elapsed: 0.0393540859222
LAPACK, dim=76 (dsyev)
Elapsed: 0.00359296798706
LAPACK, dim=14 (dsyev)
Elapsed: 0.000123023986816
LAPACK, dim=1 (dsyev)
Elapsed: 1.81198120117e-05
Emax=5.49261423064 nrkept=596 nrkeptmult=1476 
Total energy=-2.21173184328  Egs=-1.09512494101
Kept: 596 out of 4810, ratio=0.124
<JC>=1.84005960856e-08
<hop0>=-0.377682738265
<hop1>=-0.101199545961
<n_d>=1
<n_d^2>=1.13829842134
<pair_d>=1.10751096953e-05
Memory used: 22 MB  Time elapsed: 6 s

 ***** [NRG] Iteration 3/33 (scale 0.13525266008334033) ***** 
[1] xi(2)=0.984886060978 zeta(3)=0
[2] xi(2)=0.984886060978 zeta(3)=0
Stats: nr=8 min=6 max=2406 sum3=10028454320
LAPACK, dim=2406 (dsyevr)
Elapsed: 7.62234187126
LAPACK, dim=2182 (dsyevr)
Elapsed: 6.02148890495
LAPACK, dim=1608 (dsyevr)
Elapsed: 2.75282692909
LAPACK, dim=1398 (dsyevr)
Elapsed: 1.84872412682
LAPACK, dim=658 (dsyevr)
Elapsed: 0.272722005844
LAPACK, dim=226 (dsyevr)
Elapsed: 0.0252730846405
LAPACK, dim=52 (dsyev)
Elapsed: 0.00156497955322
LAPACK, dim=6 (dsyev)
Elapsed: 2.59876251221e-05
Emax=5.12097968734 nrkept=275 nrkeptmult=652 
Total energy=-2.65873702904  Egs=-3.30496409815
Kept: 275 out of 8536, ratio=0.0322
<JC>=6.88403149073e-09
<hop0>=-0.403835253335
<hop1>=-0.108207240684
<n_d>=1
<n_d^2>=1.0539359319
<pair_d>=1.40493957165e-06
Memory used: 19 MB  Time elapsed: 27 s

 ***** [NRG] Iteration 4/33 (scale 0.067626330041670166) ***** 
[1] xi(3)=0.996126049722 zeta(4)=0
[2] xi(3)=0.996126049722 zeta(4)=0
Stats: nr=8 min=1 max=1130 sum3=3170188664
LAPACK, dim=1130 (dsyevr)
Elapsed: 1.08671379089
LAPACK, dim=998 (dsyevr)
Elapsed: 0.878211975098
LAPACK, dim=778 (dsyevr)
Elapsed: 0.436349153519
LAPACK, dim=623 (dsyevr)
Elapsed: 0.239873886108
LAPACK, dim=272 (dsyevr)
Elapsed: 0.0489699840546
LAPACK, dim=76 (dsyev)
Elapsed: 0.00256204605103
LAPACK, dim=12 (dsyev)
Elapsed: 9.91821289062e-05
LAPACK, dim=1 (dsyev)
Elapsed: 1.8835067749e-05
Safeguard: keep additional 1 states
Emax=5.76133614988 nrkept=457 nrkeptmult=1190 
Total energy=-2.74056161664  Egs=-1.20995162023
Kept: 457 out of 3890, ratio=0.117
<JC>=2.34996071265e-08
<hop0>=-0.392409295502
<hop1>=-0.105145448919
<n_d>=1
<n_d^2>=1.04084614116
<pair_d>=6.92880906641e-06
Memory used: 21 MB  Time elapsed: 30 s

 ***** [NRG] Iteration 5/33 (scale 0.033813165020835083) ***** 
[1] xi(4)=0.999025462085 zeta(5)=0
[2] xi(4)=0.999025462085 zeta(5)=0
Stats: nr=8 min=6 max=1764 sum3=4946711063
LAPACK, dim=1764 (dsyevr)
Elapsed: 2.87905311584
LAPACK, dim=1684 (dsyevr)
Elapsed: 2.75422096252
LAPACK, dim=1159 (dsyevr)
Elapsed: 1.14205098152
LAPACK, dim=1144 (dsyevr)
Elapsed: 1.00935482979
LAPACK, dim=592 (dsyevr)
Elapsed: 0.220207929611
LAPACK, dim=218 (dsyevr)
Elapsed: 0.0261881351471
LAPACK, dim=52 (dsyev)
Elapsed: 0.0011191368103
LAPACK, dim=6 (dsyev)
Elapsed: 5.79357147217e-05
Emax=5.00321574567 nrkept=233 nrkeptmult=570 
Total energy=-2.85153978311  Egs=-3.28209933628
Kept: 233 out of 6619, ratio=0.0352
<JC>=2.10803625702e-09
<hop0>=-0.390255371727
<hop1>=-0.104568584344
<n_d>=1
<n_d^2>=1.03931603236
<pair_d>=1.40901566174e-05
Memory used: 24 MB  Time elapsed: 39 s

 ***** [NRG] Iteration 6/33 (scale 0.016906582510417541) ***** 
[1] xi(5)=0.999755986004 zeta(6)=0
[2] xi(5)=0.999755986004 zeta(6)=0
Stats: nr=8 min=1 max=966 sum3=2005196628
LAPACK, dim=966 (dsyevr)
Elapsed: 0.670802116394
LAPACK, dim=872 (dsyevr)
Elapsed: 0.525650024414
LAPACK, dim=640 (dsyevr)
Elapsed: 0.258394956589
LAPACK, dim=547 (dsyevr)
Elapsed: 0.173109769821
LAPACK, dim=244 (dsyevr)
Elapsed: 0.0351240634918
LAPACK, dim=72 (dsyev)
Elapsed: 0.00296497344971
LAPACK, dim=12 (dsyev)
Elapsed: 0.000113964080811
LAPACK, dim=1 (dsyev)
Elapsed: 2.09808349609e-05
Emax=5.77777156349 nrkept=456 nrkeptmult=1188 
Total energy=-2.87261272593  Egs=-1.24643420986
Kept: 456 out of 3354, ratio=0.136
<JC>=1.93691946463e-09
<hop0>=-0.39187354277
<hop1>=-0.105002174188
<n_d>=1
<n_d^2>=1.03938737048
<pair_d>=1.94508023152e-05
Memory used: 24 MB  Time elapsed: 41 s

 ***** [NRG] Iteration 7/33 (scale 0.0084532912552087707) ***** 
[1] xi(6)=0.99993897276 zeta(7)=0
[2] xi(6)=0.99993897276 zeta(7)=0
Stats: nr=8 min=6 max=1758 sum3=4837264976
LAPACK, dim=1758 (dsyevr)
Elapsed: 3.07041215897
LAPACK, dim=1680 (dsyevr)
Elapsed: 2.88147807121
LAPACK, dim=1158 (dsyevr)
Elapsed: 1.09966993332
LAPACK, dim=1140 (dsyevr)
Elapsed: 0.858480930328
LAPACK, dim=592 (dsyevr)
Elapsed: 0.200651168823
LAPACK, dim=218 (dsyevr)
Elapsed: 0.0268468856812
LAPACK, dim=52 (dsyev)
Elapsed: 0.000846862792969
LAPACK, dim=6 (dsyev)
Elapsed: 2.69412994385e-05
Safeguard: keep additional 1 states
Emax=5.03324691375 nrkept=230 nrkeptmult=558 
Total energy=-2.89987382892  Egs=-3.2249099398
Kept: 230 out of 6604, ratio=0.0348
<JC>=-2.07805586103e-08
<hop0>=-0.392825302474
<hop1>=-0.105257492198
<n_d>=1
<n_d^2>=1.03944944807
<pair_d>=2.72949764613e-05
Memory used: 25 MB  Time elapsed: 51 s

 ***** [NRG] Iteration 8/33 (scale 0.0042266456276043854) ***** 
[1] xi(7)=0.999984741706 zeta(8)=0
[2] xi(7)=0.999984741706 zeta(8)=0
Stats: nr=8 min=1 max=963 sum3=1952109642
LAPACK, dim=963 (dsyevr)
Elapsed: 0.654030799866
LAPACK, dim=860 (dsyevr)
Elapsed: 0.50706911087
LAPACK, dim=640 (dsyevr)
Elapsed: 0.23791718483
LAPACK, dim=529 (dsyevr)
Elapsed: 0.145385026932
LAPACK, dim=232 (dsyevr)
Elapsed: 0.030198097229
LAPACK, dim=69 (dsyev)
Elapsed: 0.00219178199768
LAPACK, dim=12 (dsyev)
Elapsed: 0.000106811523438
LAPACK, dim=1 (dsyev)
Elapsed: 2.59876251221e-05
Emax=5.74561730558 nrkept=456 nrkeptmult=1187 
Total energy=-2.90542051213  Egs=-1.31231328672
Kept: 456 out of 3306, ratio=0.138
<JC>=-5.10466350957e-08
<hop0>=-0.393774007686
<hop1>=-0.105512089703
<n_d>=1
<n_d^2>=1.03958151157
<pair_d>=3.17819279323e-05
Memory used: 24 MB  Time elapsed: 53 s

 ***** [NRG] Iteration 9/33 (scale 0.0021133228138021927) ***** 
[1] xi(8)=0.999996185334 zeta(9)=0
[2] xi(8)=0.999996185334 zeta(9)=0
Stats: nr=8 min=6 max=1761 sum3=4874672300
LAPACK, dim=1761 (dsyevr)
Elapsed: 2.87889695168
LAPACK, dim=1682 (dsyevr)
Elapsed: 2.97761297226
LAPACK, dim=1156 (dsyevr)
Elapsed: 1.13211083412
LAPACK, dim=1141 (dsyevr)
Elapsed: 0.842922925949
LAPACK, dim=589 (dsyevr)
Elapsed: 0.218991041183
LAPACK, dim=217 (dsyevr)
Elapsed: 0.0309300422668
LAPACK, dim=52 (dsyev)
Elapsed: 0.00135183334351
LAPACK, dim=6 (dsyev)
Elapsed: 4.91142272949e-05
Emax=5.01262868819 nrkept=227 nrkeptmult=550 
Total energy=-2.91201144685  Egs=-3.11875434747
Kept: 227 out of 6604, ratio=0.0344
<JC>=-1.03989391106e-07
<hop0>=-0.394401601234
<hop1>=-0.105680939834
<n_d>=1
<n_d^2>=1.0396704638
<pair_d>=3.84012490942e-05
Memory used: 26 MB  Time elapsed: 62 s

 ***** [NRG] Iteration 10/33 (scale 0.0010566614069010963) ***** 
[1] xi(9)=0.999999046328 zeta(10)=0
[2] xi(9)=0.999999046328 zeta(10)=0
Stats: nr=8 min=1 max=950 sum3=1873200434
LAPACK, dim=950 (dsyevr)
Elapsed: 0.679785013199
LAPACK, dim=848 (dsyevr)
Elapsed: 0.478526830673
LAPACK, dim=632 (dsyevr)
Elapsed: 0.218923807144
LAPACK, dim=521 (dsyevr)
Elapsed: 0.14058804512
LAPACK, dim=228 (dsyevr)
Elapsed: 0.0255010128021
LAPACK, dim=68 (dsyev)
Elapsed: 0.00289106369019
LAPACK, dim=12 (dsyev)
Elapsed: 0.000113964080811
LAPACK, dim=1 (dsyev)
Elapsed: 1.78813934326e-05
Emax=5.05566381189 nrkept=455 nrkeptmult=1184 
Total energy=-2.91358971323  Egs=-1.49363492943
Kept: 455 out of 3260, ratio=0.14
<JC>=-2.28831501969e-07
<hop0>=-0.394885561869
<hop1>=-0.105812236554
<n_d>=1
<n_d^2>=1.03974267814
<pair_d>=4.42449891038e-05
Memory used: 27 MB  Time elapsed: 64 s

 ***** [NRG] Iteration 11/33 (scale 0.00052833070345054817) ***** 
[1] xi(10)=0.999999761582 zeta(11)=0
[2] xi(10)=0.999999761582 zeta(11)=0
Stats: nr=8 min=6 max=1757 sum3=4765878694
LAPACK, dim=1757 (dsyevr)
Elapsed: 3.27390789986
LAPACK, dim=1676 (dsyevr)
Elapsed: 2.81842517853
LAPACK, dim=1152 (dsyevr)
Elapsed: 1.14831900597
LAPACK, dim=1140 (dsyevr)
Elapsed: 1.06418395042
LAPACK, dim=588 (dsyevr)
Elapsed: 0.247583150864
LAPACK, dim=217 (dsyevr)
Elapsed: 0.0301721096039
LAPACK, dim=52 (dsyev)
Elapsed: 0.00125694274902
LAPACK, dim=6 (dsyev)
Elapsed: 4.60147857666e-05
Emax=5.00945698897 nrkept=212 nrkeptmult=512 
Total energy=-2.91520033606  Egs=-3.04851264155
Kept: 212 out of 6588, ratio=0.0322
<JC>=-5.91003824087e-07
<hop0>=-0.395204837551
<hop1>=-0.105902485496
<n_d>=1
<n_d^2>=1.03979055073
<pair_d>=5.05533292533e-05
Memory used: 29 MB  Time elapsed: 74 s

 ***** [NRG] Iteration 12/33 (scale 0.00026416535172527408) ***** 
[1] xi(11)=0.999999940395 zeta(12)=0
[2] xi(11)=0.999999940395 zeta(12)=0
Stats: nr=8 min=1 max=880 sum3=1498656601
LAPACK, dim=880 (dsyevr)
Elapsed: 0.602936983109
LAPACK, dim=788 (dsyevr)
Elapsed: 0.431874036789
LAPACK, dim=588 (dsyevr)
Elapsed: 0.179852962494
LAPACK, dim=486 (dsyevr)
Elapsed: 0.128349065781
LAPACK, dim=212 (dsyevr)
Elapsed: 0.0236439704895
LAPACK, dim=64 (dsyev)
Elapsed: 0.00142598152161
LAPACK, dim=12 (dsyev)
Elapsed: 8.9168548584e-05
LAPACK, dim=1 (dsyev)
Elapsed: 1.59740447998e-05
Emax=5.10590496776 nrkept=200 nrkeptmult=467 
Total energy=-2.91586087465  Egs=-2.50047399193
Kept: 200 out of 3031, ratio=0.066
<JC>=-1.34605459897e-06
<hop0>=-0.395425498337
<hop1>=-0.105971408358
<n_d>=1
<n_d^2>=1.0398240925
<pair_d>=5.6420738093e-05
Memory used: 27 MB  Time elapsed: 76 s

 ***** [NRG] Iteration 13/33 (scale 0.00013208267586263704) ***** 
[1] xi(12)=0.999999985099 zeta(13)=0
[2] xi(12)=0.999999985099 zeta(13)=0
Stats: nr=7 min=6 max=819 sum3=1220249880
LAPACK, dim=819 (dsyevr)
Elapsed: 0.530793905258
LAPACK, dim=732 (dsyevr)
Elapsed: 0.353097915649
LAPACK, dim=563 (dsyevr)
Elapsed: 0.183912992477
LAPACK, dim=454 (dsyevr)
Elapsed: 0.120929002762
LAPACK, dim=187 (dsyevr)
Elapsed: 0.0178549289703
LAPACK, dim=47 (dsyev)
Elapsed: 0.000922203063965
LAPACK, dim=6 (dsyev)
Elapsed: 6.19888305664e-05
Emax=7.07051783834 nrkept=200 nrkeptmult=473 
Total energy=-2.91639725249  Egs=-4.06092495095
Kept: 200 out of 2808, ratio=0.0712
<JC>=-2.53445334094e-06
<hop0>=-0.395399682406
<hop1>=-0.105979910786
<n_d>=1
<n_d^2>=1.03982076858
<pair_d>=6.06299707322e-05
Memory used: 26 MB  Time elapsed: 77 s

 ***** [NRG] Iteration 14/33 (scale 6.6041337931318521e-05) ***** 
[1] xi(13)=0.999999996275 zeta(14)=0
[2] xi(13)=0.999999996275 zeta(14)=0
Stats: nr=7 min=4 max=848 sum3=1312901991
LAPACK, dim=848 (dsyevr)
Elapsed: 0.505969047546
LAPACK, dim=746 (dsyevr)
Elapsed: 0.420634031296
LAPACK, dim=573 (dsyevr)
Elapsed: 0.189406871796
LAPACK, dim=453 (dsyevr)
Elapsed: 0.10861492157
LAPACK, dim=189 (dsyevr)
Elapsed: 0.0172278881073
LAPACK, dim=46 (dsyev)
Elapsed: 0.000833988189697
LAPACK, dim=4 (dsyev)
Elapsed: 3.00407409668e-05
Emax=10.4814227698 nrkept=200 nrkeptmult=467 
Total energy=-2.91683403592  Egs=-6.61378840791
Kept: 200 out of 2859, ratio=0.07
<JC>=-4.48391187545e-06
<hop0>=-0.395225780771
<hop1>=-0.10595860872
<n_d>=1
<n_d^2>=1.03979553268
<pair_d>=6.41141989185e-05
Memory used: 27 MB  Time elapsed: 79 s

 ***** [NRG] Iteration 15/33 (scale 3.3020668965659261e-05) ***** 
[1] xi(14)=0.999999999069 zeta(15)=0
[2] xi(14)=0.999999999069 zeta(15)=0
Stats: nr=7 min=10 max=803 sum3=1163146194
LAPACK, dim=803 (dsyevr)
Elapsed: 0.426169872284
LAPACK, dim=722 (dsyevr)
Elapsed: 0.358255147934
LAPACK, dim=555 (dsyevr)
Elapsed: 0.179655075073
LAPACK, dim=450 (dsyevr)
Elapsed: 0.111024141312
LAPACK, dim=189 (dsyevr)
Elapsed: 0.0178830623627
LAPACK, dim=55 (dsyev)
Elapsed: 0.00171995162964
LAPACK, dim=10 (dsyev)
Elapsed: 7.29560852051e-05
Emax=18.7383179775 nrkept=200 nrkeptmult=465 
Total energy=-2.91724442856  Egs=-12.4283562173
Kept: 200 out of 2784, ratio=0.0718
<JC>=-5.91166741374e-06
<hop0>=-0.395079849051
<hop1>=-0.105938031937
<n_d>=1
<n_d^2>=1.03977425659
<pair_d>=6.58645477171e-05
Memory used: 27 MB  Time elapsed: 80 s

 ***** [NRG] Iteration 16/33 (scale 1.651033448282963e-05) ***** 
[1] xi(15)=0.999999999767 zeta(16)=0
[2] xi(15)=0.999999999767 zeta(16)=0
Stats: nr=7 min=4 max=830 sum3=1246355817
LAPACK, dim=830 (dsyevr)
Elapsed: 0.553139925003
LAPACK, dim=729 (dsyevr)
Elapsed: 0.362939834595
LAPACK, dim=575 (dsyevr)
Elapsed: 0.180431842804
LAPACK, dim=449 (dsyevr)
Elapsed: 0.106076002121
LAPACK, dim=186 (dsyevr)
Elapsed: 0.0164601802826
LAPACK, dim=44 (dsyev)
Elapsed: 0.000725984573364
LAPACK, dim=4 (dsyev)
Elapsed: 3.60012054443e-05
Emax=32.9852842077 nrkept=200 nrkeptmult=484 
Total energy=-2.91764711572  Egs=-24.390006186
Kept: 200 out of 2817, ratio=0.071
<JC>=-6.18777928568e-06
<hop0>=-0.395051267554
<hop1>=-0.105933956172
<n_d>=1
<n_d^2>=1.03977008789
<pair_d>=6.61478347558e-05
Memory used: 27 MB  Time elapsed: 82 s

 ***** [NRG] Iteration 17/33 (scale 8.2551672414148151e-06) ***** 
[1] xi(16)=0.999999999942 zeta(17)=0
[2] xi(16)=0.999999999942 zeta(17)=0
Stats: nr=6 min=45 max=867 sum3=1390762779
LAPACK, dim=867 (dsyevr)
Elapsed: 0.463917970657
LAPACK, dim=758 (dsyevr)
Elapsed: 0.423789978027
LAPACK, dim=578 (dsyevr)
Elapsed: 0.184506893158
LAPACK, dim=467 (dsyevr)
Elapsed: 0.122940063477
LAPACK, dim=204 (dsyevr)
Elapsed: 0.0237910747528
LAPACK, dim=45 (dsyev)
Elapsed: 0.000378847122192
Emax=55.4845267191 nrkept=200 nrkeptmult=503 
Total energy=-2.91804779464  Egs=-48.536742064
Kept: 200 out of 2919, ratio=0.0685
<JC>=-6.1938406293e-06
<hop0>=-0.395050650055
<hop1>=-0.105933869361
<n_d>=1
<n_d^2>=1.03976999788
<pair_d>=6.61537708983e-05
Memory used: 29 MB  Time elapsed: 83 s

 ***** [NRG] Iteration 18/33 (scale 4.1275836207074076e-06) ***** 
[1] xi(17)=0.999999999985 zeta(18)=0
[2] xi(17)=0.999999999985 zeta(18)=0
Stats: nr=6 min=52 max=890 sum3=1496392829
LAPACK, dim=890 (dsyevr)
Elapsed: 0.641824960709
LAPACK, dim=785 (dsyevr)
Elapsed: 0.38028216362
LAPACK, dim=569 (dsyevr)
Elapsed: 0.181160926819
LAPACK, dim=483 (dsyevr)
Elapsed: 0.133937835693
LAPACK, dim=220 (dsyevr)
Elapsed: 0.0249099731445
LAPACK, dim=52 (dsyev)
Elapsed: 0.000324964523315
Safeguard: keep additional 1 states
Emax=106.549852459 nrkept=201 nrkeptmult=494 
Total energy=-2.91844796485  Egs=-96.9502362443
Kept: 201 out of 2999, ratio=0.067
<JC>=-6.19384323828e-06
<hop0>=-0.39505064979
<hop1>=-0.105933869324
<n_d>=1
<n_d^2>=1.03976999784
<pair_d>=6.61537734408e-05
Memory used: 30 MB  Time elapsed: 85 s

 ***** [NRG] Iteration 19/33 (scale 2.0637918103537038e-06) ***** 
[1] xi(18)=0.999999999996 zeta(19)=0
[2] xi(18)=0.999999999996 zeta(19)=0
Stats: nr=6 min=46 max=920 sum3=1583763995
LAPACK, dim=920 (dsyevr)
Elapsed: 0.67583990097
LAPACK, dim=790 (dsyevr)
Elapsed: 0.458606958389
LAPACK, dim=592 (dsyevr)
Elapsed: 0.212545156479
LAPACK, dim=459 (dsyevr)
Elapsed: 0.119698047638
LAPACK, dim=198 (dsyevr)
Elapsed: 0.0192649364471
LAPACK, dim=46 (dsyev)
Elapsed: 0.000385999679565
Emax=195.622883876 nrkept=200 nrkeptmult=494 
Total energy=-2.91884800743  Egs=-193.838632448
Kept: 200 out of 3005, ratio=0.0666
<JC>=-6.19384323829e-06
<hop0>=-0.39505064979
<hop1>=-0.105933869324
<n_d>=1
<n_d^2>=1.03976999784
<pair_d>=6.61537734408e-05
Memory used: 31 MB  Time elapsed: 87 s

 ***** [NRG] Iteration 20/33 (scale 1.0318959051768519e-06) ***** 
[1] xi(19)=0.999999999999 zeta(20)=0
[2] xi(19)=0.999999999999 zeta(20)=0
Stats: nr=6 min=47 max=901 sum3=1518876055
LAPACK, dim=901 (dsyevr)
Elapsed: 0.635529994965
LAPACK, dim=784 (dsyevr)
Elapsed: 0.501925945282
LAPACK, dim=580 (dsyevr)
Elapsed: 0.225636959076
LAPACK, dim=467 (dsyevr)
Elapsed: 0.120489835739
LAPACK, dim=204 (dsyevr)
Elapsed: 0.019868850708
LAPACK, dim=47 (dsyev)
Elapsed: 0.000277042388916
Emax=388.976094399 nrkept=200 nrkeptmult=488 
Total energy=-2.91924801808  Egs=-387.646317276
Kept: 200 out of 2983, ratio=0.067
<JC>=-6.19384323829e-06
<hop0>=-0.39505064979
<hop1>=-0.105933869324
<n_d>=1
<n_d^2>=1.03976999784
<pair_d>=6.61537734408e-05
Memory used: 30 MB  Time elapsed: 88 s

 ***** [NRG] Iteration 21/33 (scale 5.1594795258842595e-07) ***** 
[1] xi(20)=1 zeta(21)=0
[2] xi(20)=1 zeta(21)=0
Stats: nr=6 min=44 max=908 sum3=1532327936
LAPACK, dim=908 (dsyevr)
Elapsed: 0.628668069839
LAPACK, dim=782 (dsyevr)
Elapsed: 0.487010955811
LAPACK, dim=588 (dsyevr)
Elapsed: 0.23618888855
LAPACK, dim=456 (dsyevr)
Elapsed: 0.113941907883
LAPACK, dim=194 (dsyevr)
Elapsed: 0.018963098526
LAPACK, dim=44 (dsyev)
Elapsed: 0.000255107879639
Emax=775.751278173 nrkept=200 nrkeptmult=480 
Total energy=-2.91964802074  Egs=-775.277157272
Kept: 200 out of 2972, ratio=0.0673
<JC>=-6.19384323829e-06
<hop0>=-0.39505064979
<hop1>=-0.105933869324
<n_d>=1
<n_d^2>=1.03976999784
<pair_d>=6.61537734408e-05
Memory used: 30 MB  Time elapsed: 90 s

 ***** [NRG] Iteration 22/33 (scale 2.5797397629421297e-07) ***** 
[1] xi(21)=1 zeta(22)=0
[2] xi(21)=1 zeta(22)=0
Stats: nr=6 min=40 max=920 sum3=1560320000
LAPACK, dim=920 (dsyevr)
Elapsed: 0.623431921005
LAPACK, dim=780 (dsyevr)
Elapsed: 0.418730020523
LAPACK, dim=600 (dsyevr)
Elapsed: 0.23837184906
LAPACK, dim=440 (dsyevr)
Elapsed: 0.101702928543
LAPACK, dim=180 (dsyevr)
Elapsed: 0.0132830142975
LAPACK, dim=40 (dsyev)
Elapsed: 0.000188112258911
Emax=1550.73406435 nrkept=200 nrkeptmult=480 
Total energy=-2.92004802141  Egs=-1550.54657547
Kept: 200 out of 2960, ratio=0.0676
<JC>=-6.19384323829e-06
<hop0>=-0.39505064979
<hop1>=-0.105933869324
<n_d>=1
<n_d^2>=1.03976999784
<pair_d>=6.61537734408e-05
Memory used: 32 MB  Time elapsed: 92 s

 ***** [NRG] Iteration 23/33 (scale 1.2898698814710649e-07) ***** 
[1] xi(22)=1 zeta(23)=0
[2] xi(22)=1 zeta(23)=0
Stats: nr=6 min=40 max=912 sum3=1534791168
LAPACK, dim=912 (dsyevr)
Elapsed: 0.604907035828
LAPACK, dim=778 (dsyevr)
Elapsed: 0.423066139221
LAPACK, dim=596 (dsyevr)
Elapsed: 0.208146095276
LAPACK, dim=444 (dsyevr)
Elapsed: 0.0935740470886
LAPACK, dim=182 (dsyevr)
Elapsed: 0.013170003891
LAPACK, dim=40 (dsyev)
Elapsed: 0.000237941741943
Safeguard: keep additional 2 states
Emax=3101.17297274 nrkept=202 nrkeptmult=476 
Total energy=-2.92044802157  Egs=-3101.08928135
Kept: 202 out of 2952, ratio=0.0684
<JC>=-6.19384323829e-06
<hop0>=-0.39505064979
<hop1>=-0.105933869324
<n_d>=1
<n_d^2>=1.03976999784
<pair_d>=6.61537734408e-05
Memory used: 31 MB  Time elapsed: 93 s

 ***** [NRG] Iteration 24/33 (scale 6.4493494073553243e-08) ***** 
[1] xi(23)=1 zeta(24)=0
[2] xi(23)=1 zeta(24)=0
Stats: nr=6 min=36 max=936 sum3=1619956344
LAPACK, dim=936 (dsyevr)
Elapsed: 0.481518030167
LAPACK, dim=784 (dsyevr)
Elapsed: 0.374321937561
LAPACK, dim=616 (dsyevr)
Elapsed: 0.227564096451
LAPACK, dim=430 (dsyevr)
Elapsed: 0.0806550979614
LAPACK, dim=168 (dsyevr)
Elapsed: 0.011617898941
LAPACK, dim=36 (dsyev)
Elapsed: 0.00018310546875
Safeguard: keep additional 1 states
Emax=6202.21760726 nrkept=201 nrkeptmult=472 
Total energy=-2.92084802161  Egs=-6202.17662789
Kept: 201 out of 2970, ratio=0.0677
<JC>=-6.19384323829e-06
<hop0>=-0.39505064979
<hop1>=-0.105933869324
<n_d>=1
<n_d^2>=1.03976999784
<pair_d>=6.61537734408e-05
Memory used: 32 MB  Time elapsed: 95 s

 ***** [NRG] Iteration 25/33 (scale 3.2246747036776622e-08) ***** 
[1] xi(24)=1 zeta(25)=0
[2] xi(24)=1 zeta(25)=0
Stats: nr=6 min=35 max=927 sum3=1579749786
LAPACK, dim=927 (dsyevr)
Elapsed: 0.499913930893
LAPACK, dim=778 (dsyevr)
Elapsed: 0.398636102676
LAPACK, dim=612 (dsyevr)
Elapsed: 0.196856975555
LAPACK, dim=428 (dsyevr)
Elapsed: 0.0834109783173
LAPACK, dim=166 (dsyevr)
Elapsed: 0.010468006134
LAPACK, dim=35 (dsyev)
Elapsed: 0.000263929367065
Safeguard: keep additional 6 states
Emax=12404.3726758 nrkept=206 nrkeptmult=476 
Total energy=-2.92124802162  Egs=-12404.3522884
Kept: 206 out of 2946, ratio=0.0699
<JC>=-6.19384323829e-06
<hop0>=-0.39505064979
<hop1>=-0.105933869324
<n_d>=1
<n_d^2>=1.03976999784
<pair_d>=6.61537734408e-05
Memory used: 32 MB  Time elapsed: 96 s

 ***** [NRG] Iteration 26/33 (scale 1.6123373518388311e-08) ***** 
[1] xi(25)=1 zeta(26)=0
[2] xi(25)=1 zeta(26)=0
Stats: nr=6 min=32 max=964 sum3=1741324312
LAPACK, dim=964 (dsyevr)
Elapsed: 0.572202920914
LAPACK, dim=796 (dsyevr)
Elapsed: 0.434088945389
LAPACK, dim=640 (dsyevr)
Elapsed: 0.245095968246
LAPACK, dim=422 (dsyevr)
Elapsed: 0.0909259319305
LAPACK, dim=156 (dsyevr)
Elapsed: 0.00892496109009
LAPACK, dim=32 (dsyev)
Elapsed: 0.000118017196655
Safeguard: keep additional 2 states
Emax=24808.7111775 nrkept=202 nrkeptmult=460 
Total energy=-2.92164802163  Egs=-24808.7040931
Kept: 202 out of 3010, ratio=0.0671
<JC>=-6.19384323829e-06
<hop0>=-0.39505064979
<hop1>=-0.105933869324
<n_d>=1
<n_d^2>=1.03976999784
<pair_d>=6.61537734408e-05
Memory used: 33 MB  Time elapsed: 98 s

 ***** [NRG] Iteration 27/33 (scale 8.0616867591941554e-09) ***** 
[1] xi(26)=1 zeta(27)=0
[2] xi(26)=1 zeta(27)=0
Stats: nr=6 min=28 max=952 sum3=1658821864
LAPACK, dim=952 (dsyevr)
Elapsed: 0.647097826004
LAPACK, dim=778 (dsyevr)
Elapsed: 0.452655076981
LAPACK, dim=636 (dsyevr)
Elapsed: 0.258999109268
LAPACK, dim=402 (dsyevr)
Elapsed: 0.0775420665741
LAPACK, dim=142 (dsyevr)
Elapsed: 0.00745797157288
LAPACK, dim=28 (dsyev)
Elapsed: 0.000179052352905
Safeguard: keep additional 5 states
Emax=49617.409811 nrkept=205 nrkeptmult=464 
Total energy=-2.92204802163  Egs=-49617.4079443
Kept: 205 out of 2938, ratio=0.0698
<JC>=-6.19384323829e-06
<hop0>=-0.39505064979
<hop1>=-0.105933869324
<n_d>=1
<n_d^2>=1.03976999784
<pair_d>=6.61537734408e-05
Memory used: 33 MB  Time elapsed: 100 s

 ***** [NRG] Iteration 28/33 (scale 4.0308433795970777e-09) ***** 
[1] xi(27)=1 zeta(28)=0
[2] xi(27)=1 zeta(28)=0
Stats: nr=6 min=27 max=967 sum3=1734335674
LAPACK, dim=967 (dsyevr)
Elapsed: 0.672496080399
LAPACK, dim=788 (dsyevr)
Elapsed: 0.408601045609
LAPACK, dim=648 (dsyevr)
Elapsed: 0.248600006104
LAPACK, dim=404 (dsyevr)
Elapsed: 0.0666949748993
LAPACK, dim=140 (dsyevr)
Elapsed: 0.00675296783447
LAPACK, dim=27 (dsyev)
Elapsed: 9.20295715332e-05
Safeguard: keep additional 1 states
Emax=99234.8164514 nrkept=201 nrkeptmult=448 
Total energy=-2.92244802163  Egs=-99234.8157676
Kept: 201 out of 2974, ratio=0.0676
<JC>=-6.19384323829e-06
<hop0>=-0.39505064979
<hop1>=-0.105933869324
<n_d>=1
<n_d^2>=1.03976999784
<pair_d>=6.61537734408e-05
Memory used: 33 MB  Time elapsed: 102 s

 ***** [NRG] Iteration 29/33 (scale 2.0154216897985389e-09) ***** 
[1] xi(28)=1 zeta(29)=0
[2] xi(28)=1 zeta(29)=0
Stats: nr=6 min=23 max=955 sum3=1653242506
LAPACK, dim=955 (dsyevr)
Elapsed: 0.515943050385
LAPACK, dim=770 (dsyevr)
Elapsed: 0.452131986618
LAPACK, dim=644 (dsyevr)
Elapsed: 0.208059072495
LAPACK, dim=384 (dsyevr)
Elapsed: 0.0576589107513
LAPACK, dim=126 (dsyevr)
Elapsed: 0.00483393669128
LAPACK, dim=23 (dsyev)
Elapsed: 7.10487365723e-05
Safeguard: keep additional 9 states
Emax=198469.631817 nrkept=209 nrkeptmult=464 
Total energy=-2.92284802163  Egs=-198469.631475
Kept: 209 out of 2902, ratio=0.072
<JC>=-6.19384323829e-06
<hop0>=-0.39505064979
<hop1>=-0.105933869324
<n_d>=1
<n_d^2>=1.03976999784
<pair_d>=6.61537734408e-05
Memory used: 33 MB  Time elapsed: 103 s

 ***** [NRG] Iteration 30/33 (scale 1.0077108448992694e-09) ***** 
[1] xi(29)=1 zeta(30)=0
[2] xi(29)=1 zeta(30)=0
Stats: nr=6 min=23 max=995 sum3=1864747778
LAPACK, dim=995 (dsyevr)
Elapsed: 0.665860891342
LAPACK, dim=800 (dsyevr)
Elapsed: 0.40540599823
LAPACK, dim=672 (dsyevr)
Elapsed: 0.275182962418
LAPACK, dim=396 (dsyevr)
Elapsed: 0.06658411026
LAPACK, dim=128 (dsyevr)
Elapsed: 0.00566601753235
LAPACK, dim=23 (dsyev)
Elapsed: 0.000105142593384
Safeguard: keep additional 5 states
Emax=396939.263073 nrkept=205 nrkeptmult=448 
Total energy=-2.92324802163  Egs=-396939.262919
Kept: 205 out of 3014, ratio=0.068
<JC>=-6.19384323829e-06
<hop0>=-0.39505064979
<hop1>=-0.105933869324
<n_d>=1
<n_d^2>=1.03976999784
<pair_d>=6.61537734408e-05
Memory used: 31 MB  Time elapsed: 105 s

 ***** [NRG] Iteration 31/33 (scale 5.0385542244963471e-10) ***** 
[1] xi(30)=1 zeta(31)=0
[2] xi(30)=1 zeta(31)=0
Stats: nr=6 min=19 max=983 sum3=1780797266
LAPACK, dim=983 (dsyevr)
Elapsed: 0.70448589325
LAPACK, dim=782 (dsyevr)
Elapsed: 0.44751906395
LAPACK, dim=668 (dsyevr)
Elapsed: 0.252842903137
LAPACK, dim=376 (dsyevr)
Elapsed: 0.064749956131
LAPACK, dim=114 (dsyevr)
Elapsed: 0.00544095039368
LAPACK, dim=19 (dsyev)
Elapsed: 0.000102996826172
Safeguard: keep additional 1 states
Emax=793878.525874 nrkept=201 nrkeptmult=432 
Total energy=-2.92364802163  Egs=-793878.525824
Kept: 201 out of 2942, ratio=0.0683
<JC>=-6.19384323829e-06
<hop0>=-0.39505064979
<hop1>=-0.105933869324
<n_d>=1
<n_d^2>=1.03976999784
<pair_d>=6.61537734408e-05
Memory used: 31 MB  Time elapsed: 107 s

 ***** [NRG] Iteration 32/33 (scale 2.5192771122481736e-10) ***** 
[1] xi(31)=1 zeta(32)=0
[2] xi(31)=1 zeta(32)=0
Stats: nr=6 min=15 max=971 sum3=1700318690
LAPACK, dim=971 (dsyevr)
Elapsed: 0.693471908569
LAPACK, dim=764 (dsyevr)
Elapsed: 0.412357807159
LAPACK, dim=664 (dsyevr)
Elapsed: 0.253466129303
LAPACK, dim=356 (dsyevr)
Elapsed: 0.0507597923279
LAPACK, dim=100 (dsyevr)
Elapsed: 0.00280904769897
LAPACK, dim=15 (dsyev)
Elapsed: 4.60147857666e-05
Safeguard: keep additional 4 states
Emax=1587757.05165 nrkept=204 nrkeptmult=436 
Total energy=-2.92404802163  Egs=-1587757.05164
Kept: 204 out of 2870, ratio=0.0711
<JC>=-6.19384323829e-06
<hop0>=-0.39505064979
<hop1>=-0.105933869324
<n_d>=1
<n_d^2>=1.03976999784
<pair_d>=6.61537734408e-05
Memory used: 31 MB  Time elapsed: 108 s

 ***** [NRG] Iteration 33/33 (scale 1.2596385561240868e-10) ***** 
[1] xi(32)=1 zeta(33)=0
[2] xi(32)=1 zeta(33)=0
Stats: nr=6 min=14 max=986 sum3=1778012504
LAPACK, dim=986 (dsyevr)
Elapsed: 0.641458034515
LAPACK, dim=774 (dsyevr)
Elapsed: 0.339412927628
LAPACK, dim=676 (dsyevr)
Elapsed: 0.210355997086
LAPACK, dim=358 (dsyevr)
Elapsed: 0.0534410476685
LAPACK, dim=98 (dsyev)
Elapsed: 0.00238800048828
LAPACK, dim=14 (dsyev)
Elapsed: 5.79357147217e-05
Safeguard: keep additional 53 states
Emax=3175514.1033 nrkept=253 nrkeptmult=560 
Total energy=-2.92444802163  Egs=-3175514.10328
Kept: 253 out of 2906, ratio=0.0871
<JC>=-6.19384323829e-06
<hop0>=-0.39505064979
<hop1>=-0.105933869324
<n_d>=1
<n_d^2>=1.03976999784
<pair_d>=6.61537734408e-05
Memory used: 31 MB  Time elapsed: 110 s

** Iteration completed.


Total energy:             -2.924448021627766
TKW=6.38173428043e-05
Grand canonical Z=                              2
Zft (last shell)=                               2

Memory usage report
===================
  after diag: 90416 kB
after recalc: 34380 kB
 after split: 146732 kB
  after trim: 34380 kB
 after trunc: 90540 kB
      diag_h: 158720 kB

Peak usage: 158720 kB

Timing report
=============
         All: 110 s
        diag: 101 s
    recalc s: 1 s
       Other: 7 s
