NRG Ljubljana 2.4.3.31 - (c) Rok Zitko <rok.zitko@ijs.si>
Timestamp: Mon Nov 13 12:55:52 2017
Compiled on Aug 14 2018 at 10:37:37
Compiled-in symmetry types: ANYJ DBLISOSZ DBLSU2 ISO ISO2 ISO2LR ISOLR ISOSZ ISOSZLR NONE P PP QJ QS QSC3 QSLR QST QSTZ QSZ QSZLR QSZTZ SL SL3 SPSU2 SPSU2C3 SPSU2LR SPSU2T SPU1 SPU1LR SU2 U1 

No MPI: single node calculation.

[OMP] Max. number of threads: 1
[OMP] Number of processors: 32
[OMP] Dynamic thread adjustment: 0
[OMP] Nested parallelism: 0

Using Intel MKL library 11.3.2
Processor optimization: Intel(R) Advanced Vector Extensions 2 (Intel(R) AVX2) enabled processors
max_threads=1 blas_max_threads=1 dynamic=1

workdir=/work/zitko/nrg/work.DzyjoUoUuD
substeps=0
Ninit=0
Lambda=2
strategy=kept
lastall=0
lastalloverride=0
z=0.75
discretization=Z
band=flat
bandrescale=1
betabar=1
T=-999
keep=5000
keepenergy=10
keepmin=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
accumulation=0
linstep=0
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
dumpannotated=0
dumpscaled=1
dumpabs=0
dumpprecision=8
dumpgroups=1
grouptol=1e-06
dumpdiagonal=0
ops=
specs=
specd=
spect=
specq=
specot=
reim=0
specgt=
gtp=0.7
speci1t=
speci2t=
specchit=
chitp=1
chitp_ratio=-999
dm=0
T0opt=-1
dmnrg=0
cfs=0
cfsgt=0
cfsls=0
fdm=0
fdmgt=0
fdmls=0
fdmexpv=0
fdmexpvn=0
cfsold=0
fdmold=0
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
zheevrlimit=100
restart=1
restartfactor=2
checkdiag=0
checkrho=0
calc0=1
tdht=0
spin=2
tri=old
preccpp=2000
checksumrules=0
globalB=0
globalBx=0
polarized=0
pol2x2=0
mpi=0
noimag=1
dumpsubspaces=0
done=1
resume=0
forcestop=-1
stopafter=
removefiles=1
dump_f=0
rungs=0

>>  Input file for NRG Ljubljana, Rok Zitko, rok.zitko@ijs.si, 2005-2015
SYMMETRY TYPE: QS
invdim=2
0 Q additive
1 SS additive
I=(0 1) [0 (additive), 1 (additive)]
singlet QNs=(0 1) mult=1
>>  Using sneg version 	1.250
V8
>>  Number of channels, impurities, chain sites, subspaces: 
channels=1 impurities=0 Nmax=66 subspaces=4
Reading <||||> (e)
Reading <||||> (z)

length_coef_table=66 Nmax=66

Number of invariant subspaces: 4
(-1 2) 1 states
0.1236443338298944 
(0 1) 1 states
0 
(0 3) 1 states
0.1648591117731926 
(1 2) 1 states
0.1236443338298944 
Number of states (multiplicity taken into account): 8

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

Computing the following spectra:

Before NRG iteration (N=-1)

 ***** [NRG] Iteration 1/66 (scale 0.85783160370214839) ***** 
[1] xi(0)=0.5874247114443377 xi_scaled(0)=0.684778584642004 zeta(1)=0
Stats: nr=8 min=1 max=4
Emax=2.74659968239744 nrkept=15 nrkeptmult=32 
Total energy=-1.178332162419167  Egs=-1.198757609280409
Kept: 15 out of 15, ratio=1
Memory used: 46 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 2/66 (scale 0.6065785440939202) ***** 
[1] xi(1)=0.505738132912278 xi_scaled(1)=0.8337553938175095 zeta(2)=0
Stats: nr=13 min=1 max=9
Emax=5.267118930946253 nrkept=56 nrkeptmult=128 
Total energy=-1.621888180978738  Egs=-0.7312425124138461
Kept: 56 out of 56, ratio=1
Memory used: 46 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 3/66 (scale 0.4289158018510742) ***** 
[1] xi(2)=0.4062030653849694 xi_scaled(2)=0.9470461653124381 zeta(3)=0
Stats: nr=19 min=1 max=35
Emax=10.41722370371018 nrkept=210 nrkeptmult=512 
Total energy=-2.234550124985891  Egs=-1.428396765432948
Kept: 210 out of 210, ratio=1
Memory used: 54 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 4/66 (scale 0.3032892720469601) ***** 
[1] xi(3)=0.294970735383244 xi_scaled(3)=0.9725722686873405 zeta(4)=0
Stats: nr=26 min=1 max=99
Emax=10.69689862513019 nrkept=583 nrkeptmult=1523 
Total energy=-2.500622487422083  Egs=-0.8772890667725093
Kept: 583 out of 792, ratio=0.736
Memory used: 67 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 5/66 (scale 0.2144579009255371) ***** 
[1] xi(4)=0.2101971291227322 xi_scaled(4)=0.9801323626482555 zeta(5)=0
Stats: nr=34 min=1 max=261
Emax=10.0021289710532 nrkept=797 nrkeptmult=2112 
Total energy=-2.806848406908335  Egs=-1.427906913966202
Kept: 797 out of 2213, ratio=0.36
Memory used: 70 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 6/66 (scale 0.15164463602348005) ***** 
[1] xi(5)=0.1498498162635206 xi_scaled(5)=0.9881643043432047 zeta(6)=0
Stats: nr=40 min=1 max=328
Safeguard: keep additional 3 states
Emax=10.00206967766009 nrkept=982 nrkeptmult=2612 
Total energy=-2.945048625288814  Egs=-0.9113426099626774
Kept: 982 out of 3030, ratio=0.324
Memory used: 74 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 7/66 (scale 0.10722895046276855) ***** 
[1] xi(6)=0.1065568804510635 xi_scaled(6)=0.9937323828238119 zeta(7)=0
Stats: nr=40 min=1 max=422
Emax=10.00673854463429 nrkept=813 nrkeptmult=2098 
Total energy=-3.098090442581706  Egs=-1.427243450881581
Kept: 813 out of 3733, ratio=0.218
Memory used: 77 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 8/66 (scale 0.075822318011740025) ***** 
[1] xi(7)=0.07557981327750919 xi_scaled(7)=0.9968016707931129 zeta(8)=0
Stats: nr=40 min=1 max=335
Safeguard: keep additional 1 states
Emax=10.00524771848819 nrkept=914 nrkeptmult=2324 
Total energy=-3.16877086241402  Egs=-0.9321848986649337
Kept: 914 out of 3084, ratio=0.296
Memory used: 77 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 9/66 (scale 0.053614475231384275) ***** 
[1] xi(8)=0.05352798513607368 xi_scaled(8)=0.9983868144761778 zeta(9)=0
Stats: nr=34 min=1 max=416
Emax=10.00451362913229 nrkept=797 nrkeptmult=2050 
Total energy=-3.244744381058676  Egs=-1.417033708094261
Kept: 797 out of 3461, ratio=0.23
Memory used: 77 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 10/66 (scale 0.037911159005870013) ***** 
[1] xi(9)=0.03788045410197667 xi_scaled(9)=0.99919008269073 zeta(10)=0
Stats: nr=40 min=1 max=327
Safeguard: keep additional 2 states
Emax=10.00276440823028 nrkept=912 nrkeptmult=2316 
Total energy=-3.280649820257376  Egs=-0.9470942102598423
Kept: 912 out of 3020, ratio=0.302
Memory used: 77 MB  Time elapsed: 1 s

 ***** [NRG] Iteration 11/66 (scale 0.026807237615692137) ***** 
[1] xi(10)=0.026796360004706 xi_scaled(10)=0.999594228575802 zeta(11)=0
Stats: nr=34 min=1 max=416
Emax=10.00839491991374 nrkept=797 nrkeptmult=2050 
Total energy=-3.318228063338851  Egs=-1.401794680235086
Kept: 797 out of 3453, ratio=0.231
Memory used: 77 MB  Time elapsed: 1 s

 ***** [NRG] Iteration 12/66 (scale 0.018955579502935006) ***** 
[1] xi(11)=0.01895172987497082 xi_scaled(11)=0.9997969132010135 zeta(12)=0
Stats: nr=40 min=1 max=327
Safeguard: keep additional 1 states
Emax=10.00119200444231 nrkept=886 nrkeptmult=2244 
Total energy=-3.336465169853403  Egs=-0.9620970180166524
Kept: 886 out of 3020, ratio=0.293
Memory used: 77 MB  Time elapsed: 1 s

 ***** [NRG] Iteration 13/66 (scale 0.013403618807846069) ***** 
[1] xi(12)=0.01340225708839997 xi_scaled(12)=0.999898406582161 zeta(13)=0
Stats: nr=34 min=1 max=404
Emax=10.0150773682194 nrkept=797 nrkeptmult=2050 
Total energy=-3.355003219159407  Egs=-1.383063004981399
Kept: 797 out of 3349, ratio=0.238
Memory used: 78 MB  Time elapsed: 1 s

 ***** [NRG] Iteration 14/66 (scale 0.0094777897514675032) ***** 
[1] xi(13)=0.009477308192719294 xi_scaled(13)=0.9999491908176024 zeta(14)=0
Stats: nr=40 min=1 max=327
Safeguard: keep additional 1 states
Emax=10.00533460648337 nrkept=880 nrkeptmult=2228 
Total energy=-3.364284852025548  Egs=-0.9793035200747966
Kept: 880 out of 3020, ratio=0.291
Memory used: 78 MB  Time elapsed: 1 s

 ***** [NRG] Iteration 15/66 (scale 0.0067018094039230343) ***** 
[1] xi(14)=0.00670163912632195 xi_scaled(14)=0.9999745922942863 zeta(15)=0
Stats: nr=34 min=1 max=400
Emax=10.02379066133318 nrkept=797 nrkeptmult=2050 
Total energy=-3.373404075988534  Egs=-1.360710729500527
Kept: 797 out of 3325, ratio=0.24
Memory used: 78 MB  Time elapsed: 1 s

 ***** [NRG] Iteration 16/66 (scale 0.0047388948757337516) ***** 
[1] xi(15)=0.00473883466982298 xi_scaled(15)=0.9999872953689942 zeta(16)=0
Stats: nr=40 min=1 max=327
Safeguard: keep additional 1 states
Emax=10.00379185951114 nrkept=867 nrkeptmult=2185 
Total energy=-3.37814231212954  Egs=-0.9998609940195788
Kept: 867 out of 3020, ratio=0.287
Memory used: 78 MB  Time elapsed: 1 s

 ***** [NRG] Iteration 17/66 (scale 0.0033509047019615172) ***** 
[1] xi(16)=0.003350883415305955 xi_scaled(16)=0.9999936474900196 zeta(17)=0
Stats: nr=34 min=1 max=394
Safeguard: keep additional 3 states
Emax=10.01841975833061 nrkept=800 nrkeptmult=2058 
Total energy=-3.38261247234861  Egs=-1.334015920074801
Kept: 800 out of 3273, ratio=0.244
Memory used: 78 MB  Time elapsed: 2 s

 ***** [NRG] Iteration 18/66 (scale 0.0023694474378668758) ***** 
[1] xi(17)=0.002369439911782444 xi_scaled(17)=0.9999968236963979 zeta(18)=0
Stats: nr=40 min=1 max=328
Safeguard: keep additional 3 states
Emax=10.00345674114475 nrkept=852 nrkeptmult=2136 
Total energy=-3.385040845789443  Egs=-1.024869090583891
Kept: 852 out of 3032, ratio=0.281
Memory used: 78 MB  Time elapsed: 2 s

 ***** [NRG] Iteration 19/66 (scale 0.0016754523509807586) ***** 
[1] xi(18)=0.00167544969008773 xi_scaled(18)=0.9999984118360469 zeta(19)=0
Stats: nr=34 min=1 max=388
Safeguard: keep additional 2 states
Emax=10.00889362701903 nrkept=800 nrkeptmult=2058 
Total energy=-3.387222174467967  Egs=-1.301934177506028
Kept: 800 out of 3213, ratio=0.249
Memory used: 78 MB  Time elapsed: 2 s

 ***** [NRG] Iteration 20/66 (scale 0.0011847237189334379) ***** 
[1] xi(19)=0.001184722778162086 xi_scaled(19)=0.9999992059149856 zeta(20)=0
Stats: nr=40 min=1 max=328
Safeguard: keep additional 1 states
Emax=10.0214356269977 nrkept=846 nrkeptmult=2112 
Total energy=-3.388472847077306  Egs=-1.055666050532504
Kept: 846 out of 3032, ratio=0.279
Memory used: 78 MB  Time elapsed: 2 s

 ***** [NRG] Iteration 21/66 (scale 0.00083772617549037929) ***** 
[1] xi(20)=0.000837725842876842 xi_scaled(20)=0.9999996029567333 zeta(21)=0
Stats: nr=34 min=1 max=388
Safeguard: keep additional 4 states
Emax=10.00052419372565 nrkept=803 nrkeptmult=2062 
Total energy=-3.389531045584347  Egs=-1.263179470811693
Kept: 803 out of 3189, ratio=0.252
Memory used: 78 MB  Time elapsed: 2 s

 ***** [NRG] Iteration 22/66 (scale 0.00059236185946671895) ***** 
[1] xi(21)=0.0005923617418699626 xi_scaled(21)=0.9999998014781768 zeta(22)=0
Stats: nr=40 min=1 max=329
Safeguard: keep additional 2 states
Emax=10.01171274035219 nrkept=834 nrkeptmult=2080 
Total energy=-3.390179044923576  Egs=-1.093924817868683
Kept: 834 out of 3040, ratio=0.274
Memory used: 78 MB  Time elapsed: 2 s

 ***** [NRG] Iteration 23/66 (scale 0.00041886308774518965) ***** 
[1] xi(22)=0.0004188630461684378 xi_scaled(22)=0.9999999007390409 zeta(23)=0
Stats: nr=34 min=1 max=384
Emax=10.00120288190497 nrkept=802 nrkeptmult=2056 
Total energy=-3.390688533949324  Egs=-1.216361719746621
Kept: 802 out of 3145, ratio=0.255
Memory used: 78 MB  Time elapsed: 2 s

 ***** [NRG] Iteration 24/66 (scale 0.00029618092973335947) ***** 
[1] xi(23)=0.0002961809150337544 xi_scaled(23)=0.9999999503695086 zeta(24)=0
Stats: nr=40 min=1 max=328
Safeguard: keep additional 1 states
Emax=10.00016057945628 nrkept=804 nrkeptmult=2004 
Total energy=-3.391026650129712  Egs=-1.141586599420787
Kept: 804 out of 3032, ratio=0.265
Memory used: 78 MB  Time elapsed: 3 s

 ***** [NRG] Iteration 25/66 (scale 0.00020943154387259482) ***** 
[1] xi(24)=0.000209431538675499 xi_scaled(24)=0.9999999751847515 zeta(25)=0
Stats: nr=34 min=1 max=372
Emax=10.00694241616499 nrkept=801 nrkeptmult=2056 
Total energy=-3.391269674472468  Egs=-1.160399900904009
Kept: 801 out of 3032, ratio=0.264
Memory used: 78 MB  Time elapsed: 3 s

 ***** [NRG] Iteration 26/66 (scale 0.00014809046486667974) ***** 
[1] xi(25)=0.0001480904630292288 xi_scaled(25)=0.999999987592375 zeta(26)=0
Stats: nr=40 min=1 max=329
Safeguard: keep additional 1 states
Emax=10.00772102392771 nrkept=776 nrkeptmult=1948 
Total energy=-3.391447446604891  Egs=-1.200429295585564
Kept: 776 out of 3028, ratio=0.256
Memory used: 78 MB  Time elapsed: 3 s

 ***** [NRG] Iteration 27/66 (scale 0.00010471577193629741) ***** 
[1] xi(26)=0.0001047157712866604 xi_scaled(26)=0.9999999937961874 zeta(27)=0
Stats: nr=34 min=1 max=358
Safeguard: keep additional 3 states
Emax=10.00666685631469 nrkept=797 nrkeptmult=2022 
Total energy=-3.391562164154634  Egs=-1.095513575675148
Kept: 797 out of 2929, ratio=0.272
Memory used: 78 MB  Time elapsed: 3 s

 ***** [NRG] Iteration 28/66 (scale 7.4045232433339868e-05) ***** 
[1] xi(27)=7.40452322036585e-05 xi_scaled(27)=0.9999999968980937 zeta(28)=0
Stats: nr=38 min=1 max=326
Safeguard: keep additional 2 states
Emax=10.03368199928693 nrkept=767 nrkeptmult=1931 
Total energy=-3.391656264585048  Egs=-1.27085063172638
Kept: 767 out of 3008, ratio=0.255
Memory used: 78 MB  Time elapsed: 3 s

 ***** [NRG] Iteration 29/66 (scale 5.2357885968148706e-05) ***** 
[1] xi(28)=5.235788588694408e-05 xi_scaled(28)=0.9999999984490469 zeta(29)=0
Stats: nr=34 min=1 max=351
Safeguard: keep additional 1 states
Emax=10.00091209030501 nrkept=774 nrkeptmult=1944 
Total energy=-3.391709927329613  Egs=-1.024921911430407
Kept: 774 out of 2894, ratio=0.267
Memory used: 78 MB  Time elapsed: 3 s

 ***** [NRG] Iteration 30/66 (scale 3.7022616216669934e-05) ***** 
[1] xi(29)=3.702261618795977e-05 xi_scaled(29)=0.9999999992245235 zeta(30)=0
Stats: nr=38 min=1 max=321
Safeguard: keep additional 3 states
Emax=10.01116356048973 nrkept=746 nrkeptmult=1878 
Total energy=-3.391759892705835  Egs=-1.349590637508887
Kept: 746 out of 2920, ratio=0.255
Memory used: 78 MB  Time elapsed: 3 s

 ***** [NRG] Iteration 31/66 (scale 2.6178942984074353e-05) ***** 
[1] xi(30)=2.617894297392377e-05 xi_scaled(30)=0.9999999996122617 zeta(31)=0
Stats: nr=34 min=1 max=341
Safeguard: keep additional 1 states
Emax=10.00382241104784 nrkept=750 nrkeptmult=1882 
Total energy=-3.391784922165709  Egs=-0.9560913093148767
Kept: 750 out of 2817, ratio=0.266
Memory used: 78 MB  Time elapsed: 3 s

 ***** [NRG] Iteration 32/66 (scale 1.8511308108334967e-05) ***** 
[1] xi(31)=1.85113081047462e-05 xi_scaled(31)=0.999999999806131 zeta(32)=0
Stats: nr=38 min=1 max=313
Safeguard: keep additional 2 states
Emax=10.0075619710285 nrkept=691 nrkeptmult=1707 
Total energy=-3.391811353065702  Egs=-1.427824540400884
Kept: 691 out of 2832, ratio=0.244
Memory used: 78 MB  Time elapsed: 3 s

 ***** [NRG] Iteration 33/66 (scale 1.3089471492037176e-05) ***** 
[1] xi(32)=1.308947149076835e-05 xi_scaled(32)=0.9999999999030655 zeta(33)=0
Stats: nr=33 min=1 max=324
Safeguard: keep additional 3 states
Emax=10.01646877632471 nrkept=709 nrkeptmult=1744 
Total energy=-3.391823113182321  Egs=-0.89844090547523
Kept: 709 out of 2607, ratio=0.272
Memory used: 78 MB  Time elapsed: 4 s

 ***** [NRG] Iteration 34/66 (scale 9.2556540541674836e-06) ***** 
[1] xi(33)=9.255654053718888e-06 xi_scaled(33)=0.9999999999515328 zeta(34)=0
Stats: nr=36 min=1 max=296
Emax=10.00794974451206 nrkept=633 nrkeptmult=1541 
Total energy=-3.391836939665646  Egs=-1.49384184457681
Kept: 633 out of 2672, ratio=0.237
Memory used: 78 MB  Time elapsed: 4 s

 ***** [NRG] Iteration 35/66 (scale 6.5447357460185882e-06) ***** 
[1] xi(34)=6.544735745859986e-06 xi_scaled(34)=0.9999999999757664 zeta(35)=0
Stats: nr=33 min=1 max=303
Safeguard: keep additional 1 states
Emax=10.0223131888904 nrkept=656 nrkeptmult=1588 
Total energy=-3.391842551429068  Egs=-0.8574469068623817
Kept: 656 out of 2385, ratio=0.275
Memory used: 78 MB  Time elapsed: 4 s

 ***** [NRG] Iteration 36/66 (scale 4.6278270270837418e-06) ***** 
[1] xi(35)=4.627827027027667e-06 xi_scaled(35)=0.9999999999878832 zeta(36)=0
Stats: nr=36 min=1 max=276
Safeguard: keep additional 2 states
Emax=10.05571088968818 nrkept=581 nrkeptmult=1383 
Total energy=-3.391849681321608  Egs=-1.540656662017298
Kept: 581 out of 2466, ratio=0.236
Memory used: 78 MB  Time elapsed: 4 s

 ***** [NRG] Iteration 37/66 (scale 3.2723678730092941e-06) ***** 
[1] xi(36)=3.272367872989469e-06 xi_scaled(36)=0.9999999999939416 zeta(37)=0
Stats: nr=33 min=1 max=283
Safeguard: keep additional 1 states
Emax=10.03739798616041 nrkept=589 nrkeptmult=1402 
Total energy=-3.39185240401636  Egs=-0.8320258777849368
Kept: 589 out of 2178, ratio=0.27
Memory used: 78 MB  Time elapsed: 4 s

 ***** [NRG] Iteration 38/66 (scale 2.3139135135418709e-06) ***** 
[1] xi(37)=2.313913513534862e-06 xi_scaled(37)=0.9999999999969709 zeta(38)=0
Stats: nr=36 min=1 max=251
Emax=10.00033065189883 nrkept=523 nrkeptmult=1227 
Total energy=-3.391856035591148  Egs=-1.569451393707366
Kept: 523 out of 2210, ratio=0.237
Memory used: 78 MB  Time elapsed: 4 s

 ***** [NRG] Iteration 39/66 (scale 1.6361839365046471e-06) ***** 
[1] xi(38)=1.636183936502169e-06 xi_scaled(38)=0.9999999999984855 zeta(39)=0
Stats: nr=33 min=1 max=257
Emax=10.1017592032395 nrkept=567 nrkeptmult=1322 
Total energy=-3.391857373450121  Egs=-0.8176702768961405
Kept: 567 out of 1958, ratio=0.29
Memory used: 78 MB  Time elapsed: 4 s

 ***** [NRG] Iteration 40/66 (scale 1.1569567567709354e-06) ***** 
[1] xi(39)=1.156956756770059e-06 xi_scaled(39)=0.9999999999992428 zeta(40)=0
Stats: nr=34 min=1 max=244
Safeguard: keep additional 1 states
Emax=10.04648432708483 nrkept=501 nrkeptmult=1157 
Total energy=-3.391859207890689  Egs=-1.585574013116378
Kept: 501 out of 2124, ratio=0.236
Memory used: 78 MB  Time elapsed: 4 s

 ***** [NRG] Iteration 41/66 (scale 8.1809196825232353e-07) ***** 
[1] xi(40)=8.180919682520138e-07 xi_scaled(40)=0.9999999999996214 zeta(41)=0
Stats: nr=33 min=1 max=245
Emax=10.55894856315149 nrkept=567 nrkeptmult=1322 
Total energy=-3.391859870550727  Egs=-0.8100067764978991
Kept: 567 out of 1870, ratio=0.303
Memory used: 78 MB  Time elapsed: 4 s

 ***** [NRG] Iteration 42/66 (scale 5.7847837838546772e-07) ***** 
[1] xi(41)=5.784783783853582e-07 xi_scaled(41)=0.9999999999998107 zeta(42)=0
Stats: nr=34 min=1 max=244
Safeguard: keep additional 1 states
Emax=10.2589121669536 nrkept=499 nrkeptmult=1149 
Total energy=-3.391860792718257  Egs=-1.594126184650721
Kept: 499 out of 2124, ratio=0.235
Memory used: 78 MB  Time elapsed: 4 s

 ***** [NRG] Iteration 43/66 (scale 4.0904598412616176e-07) ***** 
[1] xi(42)=4.090459841261231e-07 xi_scaled(42)=0.9999999999999054 zeta(43)=0
Stats: nr=33 min=1 max=245
Emax=10.69509926895542 nrkept=567 nrkeptmult=1322 
Total energy=-3.391861122426465  Egs=-0.8060419138080368
Kept: 567 out of 1862, ratio=0.305
Memory used: 78 MB  Time elapsed: 4 s

 ***** [NRG] Iteration 44/66 (scale 2.8923918919273386e-07) ***** 
[1] xi(43)=2.892391891927202e-07 xi_scaled(43)=0.9999999999999528 zeta(44)=0
Stats: nr=34 min=1 max=244
Safeguard: keep additional 1 states
Emax=10.43487626312207 nrkept=499 nrkeptmult=1149 
Total energy=-3.391861584784948  Egs=-1.598533324481015
Kept: 499 out of 2124, ratio=0.235
Memory used: 78 MB  Time elapsed: 4 s

 ***** [NRG] Iteration 45/66 (scale 2.0452299206308088e-07) ***** 
[1] xi(44)=2.045229920630761e-07 xi_scaled(44)=0.9999999999999765 zeta(45)=0
Stats: nr=33 min=1 max=245
Emax=10.76759483238675 nrkept=567 nrkeptmult=1322 
Total energy=-3.39186174922645  Egs=-0.8040245298152623
Kept: 567 out of 1862, ratio=0.305
Memory used: 78 MB  Time elapsed: 4 s

 ***** [NRG] Iteration 46/66 (scale 1.4461959459636693e-07) ***** 
[1] xi(45)=1.446195945963652e-07 xi_scaled(45)=0.9999999999999882 zeta(46)=0
Stats: nr=34 min=1 max=244
Emax=10.50505013332333 nrkept=498 nrkeptmult=1142 
Total energy=-3.391861980729268  Egs=-1.600770760500126
Kept: 498 out of 2124, ratio=0.234
Memory used: 78 MB  Time elapsed: 4 s

 ***** [NRG] Iteration 47/66 (scale 1.0226149603154044e-07) ***** 
[1] xi(46)=1.022614960315398e-07 xi_scaled(46)=0.9999999999999942 zeta(47)=0
Stats: nr=33 min=1 max=246
Emax=10.80470852417278 nrkept=567 nrkeptmult=1322 
Total energy=-3.391862062845953  Egs=-0.8030068736903877
Kept: 567 out of 1857, ratio=0.305
Memory used: 78 MB  Time elapsed: 4 s

 ***** [NRG] Iteration 48/66 (scale 7.2309797298183465e-08) ***** 
[1] xi(47)=7.230979729818325e-08 xi_scaled(47)=0.9999999999999971 zeta(48)=0
Stats: nr=34 min=1 max=244
Emax=10.51551053024767 nrkept=498 nrkeptmult=1142 
Total energy=-3.391862178678879  Egs=-1.601898086764125
Kept: 498 out of 2124, ratio=0.234
Memory used: 78 MB  Time elapsed: 4 s

 ***** [NRG] Iteration 49/66 (scale 5.113074801577022e-08) ***** 
[1] xi(48)=5.113074801577015e-08 xi_scaled(48)=0.9999999999999986 zeta(49)=0
Stats: nr=33 min=1 max=246
Emax=10.823348460707 nrkept=567 nrkeptmult=1322 
Total energy=-3.391862219711088  Egs=-0.80249577516093
Kept: 567 out of 1857, ratio=0.305
Memory used: 78 MB  Time elapsed: 4 s

 ***** [NRG] Iteration 50/66 (scale 3.6154898649091733e-08) ***** 
[1] xi(49)=3.615489864909171e-08 xi_scaled(49)=0.9999999999999992 zeta(50)=0
Stats: nr=34 min=1 max=244
Emax=10.52077860909761 nrkept=498 nrkeptmult=1142 
Total energy=-3.391862277648008  Egs=-1.602463919933895
Kept: 498 out of 2124, ratio=0.234
Memory used: 78 MB  Time elapsed: 5 s

 ***** [NRG] Iteration 51/66 (scale 2.556537400788511e-08) ***** 
[1] xi(50)=2.55653740078851e-08 xi_scaled(50)=0.9999999999999998 zeta(51)=0
Stats: nr=33 min=1 max=246
Emax=10.83158129410662 nrkept=567 nrkeptmult=1324 
Total energy=-3.391862298157565  Egs=-0.8022396545264808
Kept: 567 out of 1857, ratio=0.305
Memory used: 78 MB  Time elapsed: 5 s

 ***** [NRG] Iteration 52/66 (scale 1.8077449324545866e-08) ***** 
[1] xi(51)=1.807744932454586e-08 xi_scaled(51)=0.9999999999999998 zeta(52)=0
Stats: nr=34 min=1 max=243
Emax=10.52343296021462 nrkept=498 nrkeptmult=1142 
Total energy=-3.391862327131149  Egs=-1.602747381285102
Kept: 498 out of 2124, ratio=0.234
Memory used: 78 MB  Time elapsed: 5 s

 ***** [NRG] Iteration 53/66 (scale 1.2782687003942555e-08) ***** 
[1] xi(52)=1.278268700394256e-08 xi_scaled(52)=1 zeta(53)=0
Stats: nr=33 min=1 max=246
Emax=10.83461689035652 nrkept=567 nrkeptmult=1324 
Total energy=-3.391862337384289  Egs=-0.8021114508944452
Kept: 567 out of 1857, ratio=0.305
Memory used: 78 MB  Time elapsed: 5 s

 ***** [NRG] Iteration 54/66 (scale 9.0387246622729332e-09) ***** 
[1] xi(53)=9.038724662272933e-09 xi_scaled(53)=1 zeta(54)=0
Stats: nr=34 min=1 max=243
Emax=10.52475759840768 nrkept=498 nrkeptmult=1142 
Total energy=-3.391862351872364  Egs=-1.602889248434495
Kept: 498 out of 2124, ratio=0.234
Memory used: 78 MB  Time elapsed: 5 s

 ***** [NRG] Iteration 55/66 (scale 6.3913435019712775e-09) ***** 
[1] xi(54)=6.391343501971278e-09 xi_scaled(54)=1 zeta(55)=0
Stats: nr=33 min=1 max=246
Emax=10.8361322515076 nrkept=567 nrkeptmult=1324 
Total energy=-3.391862356998524  Egs=-0.8020473131909995
Kept: 567 out of 1857, ratio=0.305
Memory used: 78 MB  Time elapsed: 5 s

 ***** [NRG] Iteration 56/66 (scale 4.5193623311364666e-09) ***** 
[1] xi(55)=4.519362331136467e-09 xi_scaled(55)=1 zeta(56)=0
Stats: nr=34 min=1 max=243
Emax=10.52542053396821 nrkept=498 nrkeptmult=1142 
Total energy=-3.391862364242882  Egs=-1.602960216162459
Kept: 498 out of 2124, ratio=0.234
Memory used: 78 MB  Time elapsed: 5 s

 ***** [NRG] Iteration 57/66 (scale 3.1956717509856388e-09) ***** 
[1] xi(56)=3.195671750985639e-09 xi_scaled(56)=1 zeta(57)=0
Stats: nr=33 min=1 max=246
Emax=10.83688932435121 nrkept=567 nrkeptmult=1324 
Total energy=-3.391862366805859  Egs=-0.8020152353604904
Kept: 567 out of 1857, ratio=0.305
Memory used: 78 MB  Time elapsed: 5 s

 ***** [NRG] Iteration 58/66 (scale 2.2596811655682333e-09) ***** 
[1] xi(57)=2.259681165568233e-09 xi_scaled(57)=1 zeta(58)=0
Stats: nr=34 min=1 max=243
Emax=10.5257521561096 nrkept=498 nrkeptmult=1142 
Total energy=-3.391862370428119  Egs=-1.602995708568846
Kept: 498 out of 2124, ratio=0.234
Memory used: 78 MB  Time elapsed: 5 s

 ***** [NRG] Iteration 59/66 (scale 1.5978358754928194e-09) ***** 
[1] xi(58)=1.597835875492819e-09 xi_scaled(58)=1 zeta(59)=0
Stats: nr=33 min=1 max=246
Emax=10.83726771053969 nrkept=567 nrkeptmult=1324 
Total energy=-3.391862371709581  Egs=-0.8019991941998756
Kept: 567 out of 1857, ratio=0.305
Memory used: 78 MB  Time elapsed: 5 s

 ***** [NRG] Iteration 60/66 (scale 1.1298405827841166e-09) ***** 
[1] xi(59)=1.129840582784117e-09 xi_scaled(59)=1 zeta(60)=0
Stats: nr=34 min=1 max=243
Emax=10.5259180057909 nrkept=498 nrkeptmult=1142 
Total energy=-3.391862373520731  Egs=-1.603013456908007
Kept: 498 out of 2124, ratio=0.234
Memory used: 78 MB  Time elapsed: 5 s

 ***** [NRG] Iteration 61/66 (scale 7.9891793774640969e-10) ***** 
[1] xi(60)=7.989179377464097e-10 xi_scaled(60)=1 zeta(61)=0
Stats: nr=33 min=1 max=246
Emax=10.83745686628282 nrkept=567 nrkeptmult=1324 
Total energy=-3.391862374161456  Egs=-0.8019911730582565
Kept: 567 out of 1857, ratio=0.305
Memory used: 78 MB  Time elapsed: 5 s

 ***** [NRG] Iteration 62/66 (scale 5.6492029139205832e-10) ***** 
[1] xi(61)=5.649202913920583e-10 xi_scaled(61)=1 zeta(62)=0
Stats: nr=34 min=1 max=243
Emax=10.52600094028422 nrkept=498 nrkeptmult=1142 
Total energy=-3.391862375067036  Egs=-1.603022331611565
Kept: 498 out of 2124, ratio=0.234
Memory used: 78 MB  Time elapsed: 5 s

 ***** [NRG] Iteration 63/66 (scale 3.9945896887320485e-10) ***** 
[1] xi(62)=3.994589688732048e-10 xi_scaled(62)=1 zeta(63)=0
Stats: nr=33 min=1 max=246
Safeguard: keep additional 2 states
Emax=10.83755170564612 nrkept=569 nrkeptmult=1330 
Total energy=-3.391862375387397  Egs=-0.8019871623471605
Kept: 569 out of 1857, ratio=0.306
Memory used: 78 MB  Time elapsed: 5 s

 ***** [NRG] Iteration 64/66 (scale 2.8246014569602916e-10) ***** 
[1] xi(63)=2.824601456960292e-10 xi_scaled(63)=1 zeta(64)=0
Stats: nr=34 min=1 max=244
Emax=10.52604240994272 nrkept=498 nrkeptmult=1142 
Total energy=-3.391862375840188  Egs=-1.603026769096806
Kept: 498 out of 2132, ratio=0.234
Memory used: 78 MB  Time elapsed: 5 s

 ***** [NRG] Iteration 65/66 (scale 1.9972948443660242e-10) ***** 
[1] xi(64)=1.997294844366024e-10 xi_scaled(64)=1 zeta(65)=0
Stats: nr=33 min=1 max=246
Safeguard: keep additional 8 states
Emax=10.83760785709761 nrkept=575 nrkeptmult=1340 
Total energy=-3.391862376000368  Egs=-0.8019851569565599
Kept: 575 out of 1857, ratio=0.31
Memory used: 78 MB  Time elapsed: 5 s

 ***** [NRG] Iteration 66/66 (scale 1.4123007284801458e-10) ***** 
[1] xi(65)=1.412300728480146e-10 xi_scaled(65)=1 zeta(66)=0
Stats: nr=34 min=1 max=248
Emax=10.52604871503794 nrkept=498 nrkeptmult=1142 
Total energy=-3.391862376226764  Egs=-1.603028987872789
Kept: 498 out of 2154, ratio=0.231
Memory used: 78 MB  Time elapsed: 5 s

** Iteration completed.


Total energy:             -3.391862376226764
TKW=1.080148689973117e-05

Memory usage report
===================
  after diag: 79880 kB
after recalc: 79880 kB
 after split: 79880 kB
  after trim: 79880 kB
 after trunc: 79880 kB
      diag_h: 79880 kB

Peak usage: 79880 kB

Timing report
=============
         All: 5 s
        diag: 5 s
    recalc f: 0 s
       Other: 0 s
