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=.
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=1 Nmax=66 subspaces=6
Reading <||||> (e)
Reading <||||> (z)

length_coef_table=66 Nmax=66

Number of invariant subspaces: 6
(-2 1) 1 states
0.03692352378333037 
(-1 2) 2 states
0.01734027290567368 0.05238529686665726 
(0 1) 3 states
0 0.03692352378333037 0.06972556977233095 
(0 3) 1 states
0.03280204598900056 
(1 2) 2 states
0.01734027290567368 0.05238529686665726 
(2 1) 1 states
0.03692352378333037 
Number of states (multiplicity taken into account): 16

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=10 min=1 max=8
Emax=2.746696217460983 nrkept=35 nrkeptmult=64 
Total energy=-1.17560141055359  Egs=-1.32404468552238
Kept: 35 out of 35, ratio=1
Memory used: 43 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=15 min=1 max=20
Emax=5.203810193586966 nrkept=126 nrkeptmult=256 
Total energy=-1.575759805483541  Egs=-0.6596975755673824
Kept: 126 out of 126, ratio=1
Memory used: 43 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=21 min=1 max=75
Emax=10.40279893687773 nrkept=460 nrkeptmult=1022 
Total energy=-2.230946033676908  Egs=-1.527540429533665
Kept: 460 out of 462, ratio=0.996
Memory used: 59 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=28 min=1 max=209
Emax=10.7294502085855 nrkept=1259 nrkeptmult=3043 
Total energy=-2.478092998263559  Egs=-0.8148885811839188
Kept: 1259 out of 1710, ratio=0.736
Memory used: 62 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=36 min=1 max=561
Safeguard: keep additional 7 states
Emax=10.4280519449359 nrkept=1730 nrkeptmult=4298 
Total energy=-2.802844192208413  Egs=-1.514288783688191
Kept: 1730 out of 4729, ratio=0.366
Memory used: 78 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=42 min=1 max=665
Safeguard: keep additional 1 states
Emax=10.70869703196293 nrkept=2122 nrkeptmult=5284 
Total energy=-2.932937240583643  Egs=-0.857880976120298
Kept: 2122 out of 6518, ratio=0.326
Memory used: 77 MB  Time elapsed: 1 s

 ***** [NRG] Iteration 7/66 (scale 0.10722895046276855) ***** 
[1] xi(6)=0.1065568804510635 xi_scaled(6)=0.9937323828238119 zeta(7)=0
Stats: nr=44 min=1 max=910
Safeguard: keep additional 2 states
Emax=10.02617088437196 nrkept=1817 nrkeptmult=4474 
Total energy=-3.093944843415526  Egs=-1.501531089663954
Kept: 1817 out of 8005, ratio=0.227
Memory used: 75 MB  Time elapsed: 2 s

 ***** [NRG] Iteration 8/66 (scale 0.075822318011740025) ***** 
[1] xi(7)=0.07557981327750919 xi_scaled(7)=0.9968016707931129 zeta(8)=0
Stats: nr=42 min=1 max=705
Safeguard: keep additional 2 states
Emax=10.04134534404248 nrkept=2091 nrkeptmult=5209 
Total energy=-3.161319555064392  Egs=-0.8885868094725659
Kept: 2091 out of 6832, ratio=0.306
Memory used: 77 MB  Time elapsed: 3 s

 ***** [NRG] Iteration 9/66 (scale 0.053614475231384275) ***** 
[1] xi(8)=0.05352798513607368 xi_scaled(8)=0.9983868144761778 zeta(9)=0
Stats: nr=44 min=1 max=893
Safeguard: keep additional 1 states
Emax=10.00115741789758 nrkept=1680 nrkeptmult=4174 
Total energy=-3.240591453040652  Egs=-1.478554021729122
Kept: 1680 out of 7885, ratio=0.213
Memory used: 94 MB  Time elapsed: 5 s

 ***** [NRG] Iteration 10/66 (scale 0.037911159005870013) ***** 
[1] xi(9)=0.03788045410197667 xi_scaled(9)=0.99919008269073 zeta(10)=0
Stats: nr=42 min=1 max=660
Emax=10.04185892756793 nrkept=1873 nrkeptmult=4643 
Total energy=-3.275209779052461  Egs=-0.9131434363810599
Kept: 1873 out of 6346, ratio=0.295
Memory used: 77 MB  Time elapsed: 5 s

 ***** [NRG] Iteration 11/66 (scale 0.026807237615692137) ***** 
[1] xi(10)=0.026796360004706 xi_scaled(10)=0.999594228575802 zeta(11)=0
Stats: nr=42 min=1 max=815
Safeguard: keep additional 7 states
Emax=10.00102115369882 nrkept=1638 nrkeptmult=4060 
Total energy=-3.314120289800292  Egs=-1.451492738851035
Kept: 1638 out of 7057, ratio=0.232
Memory used: 77 MB  Time elapsed: 7 s

 ***** [NRG] Iteration 12/66 (scale 0.018955579502935006) ***** 
[1] xi(11)=0.01895172987497082 xi_scaled(11)=0.9997969132010135 zeta(12)=0
Stats: nr=42 min=1 max=640
Safeguard: keep additional 1 states
Emax=10.03461814959046 nrkept=1792 nrkeptmult=4448 
Total energy=-3.331844973700221  Egs=-0.9350642061449157
Kept: 1792 out of 6180, ratio=0.29
Memory used: 79 MB  Time elapsed: 7 s

 ***** [NRG] Iteration 13/66 (scale 0.013403618807846069) ***** 
[1] xi(12)=0.01340225708839997 xi_scaled(12)=0.999898406582161 zeta(13)=0
Stats: nr=42 min=1 max=778
Safeguard: keep additional 1 states
Emax=10.00782394070626 nrkept=1560 nrkeptmult=3846 
Total energy=-3.350942122620033  Egs=-1.424775591844874
Kept: 1560 out of 6753, ratio=0.231
Memory used: 77 MB  Time elapsed: 8 s

 ***** [NRG] Iteration 14/66 (scale 0.0094777897514675032) ***** 
[1] xi(13)=0.009477308192719294 xi_scaled(13)=0.9999491908176024 zeta(14)=0
Stats: nr=42 min=1 max=611
Safeguard: keep additional 1 states
Emax=10.00368719338238 nrkept=1658 nrkeptmult=4068 
Total energy=-3.359984513336137  Egs=-0.9540611211283453
Kept: 1658 out of 5878, ratio=0.282
Memory used: 77 MB  Time elapsed: 9 s

 ***** [NRG] Iteration 15/66 (scale 0.0067018094039230343) ***** 
[1] xi(14)=0.00670163912632195 xi_scaled(14)=0.9999745922942863 zeta(15)=0
Stats: nr=40 min=1 max=728
Emax=10.01765829196306 nrkept=1471 nrkeptmult=3644 
Total energy=-3.369369635068048  Egs=-1.400386248886447
Kept: 1471 out of 6233, ratio=0.236
Memory used: 77 MB  Time elapsed: 10 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=578
Emax=10.00555924910061 nrkept=1494 nrkeptmult=3656 
Total energy=-3.373970086605243  Egs=-0.9707857333473322
Kept: 1494 out of 5538, ratio=0.27
Memory used: 87 MB  Time elapsed: 10 s

 ***** [NRG] Iteration 17/66 (scale 0.0033509047019615172) ***** 
[1] xi(16)=0.003350883415305955 xi_scaled(16)=0.9999936474900196 zeta(17)=0
Stats: nr=36 min=1 max=665
Safeguard: keep additional 2 states
Emax=10.00145000143286 nrkept=1275 nrkeptmult=3158 
Total energy=-3.378586019036809  Egs=-1.377518265101327
Kept: 1275 out of 5626, ratio=0.227
Memory used: 77 MB  Time elapsed: 11 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=508
Safeguard: keep additional 1 states
Emax=10.00123208210811 nrkept=1275 nrkeptmult=3137 
Total energy=-3.380926580197222  Egs=-0.9878088549286381
Kept: 1275 out of 4804, ratio=0.265
Memory used: 83 MB  Time elapsed: 11 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=573
Safeguard: keep additional 3 states
Emax=10.00596191748429 nrkept=1111 nrkeptmult=2780 
Total energy=-3.383194388375187  Egs=-1.353549790083124
Kept: 1111 out of 4801, ratio=0.231
Memory used: 83 MB  Time elapsed: 12 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=446
Safeguard: keep additional 2 states
Emax=10.00189401240595 nrkept=1103 nrkeptmult=2757 
Total energy=-3.384388546138857  Egs=-1.007963075766697
Kept: 1103 out of 4200, ratio=0.263
Memory used: 83 MB  Time elapsed: 12 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=500
Safeguard: keep additional 1 states
Emax=10.00315434397429 nrkept=920 nrkeptmult=2330 
Total energy=-3.385499261419862  Egs=-1.325869136600526
Kept: 920 out of 4164, ratio=0.221
Memory used: 83 MB  Time elapsed: 12 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=378
Safeguard: keep additional 3 states
Emax=10.00167852908681 nrkept=930 nrkeptmult=2344 
Total energy=-3.386111302114094  Egs=-1.033220968653791
Kept: 930 out of 3478, ratio=0.267
Memory used: 83 MB  Time elapsed: 12 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=426
Emax=10.00072661219616 nrkept=835 nrkeptmult=2142 
Total energy=-3.386652712105171  Egs=-1.29257030976731
Kept: 835 out of 3517, ratio=0.237
Memory used: 83 MB  Time elapsed: 12 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=345
Safeguard: keep additional 1 states
Emax=10.00061964137437 nrkept=848 nrkeptmult=2116 
Total energy=-3.386968169570642  Egs=-1.065083649227289
Kept: 848 out of 3162, ratio=0.268
Memory used: 83 MB  Time elapsed: 13 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=390
Safeguard: keep additional 2 states
Emax=10.00723425245299 nrkept=818 nrkeptmult=2088 
Total energy=-3.387230406340445  Egs=-1.252135972231759
Kept: 818 out of 3197, ratio=0.256
Memory used: 83 MB  Time elapsed: 13 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=334
Safeguard: keep additional 2 states
Emax=10.00654458362741 nrkept=834 nrkeptmult=2080 
Total energy=-3.38739407169955  Egs=-1.105171485901197
Kept: 834 out of 3094, ratio=0.27
Memory used: 83 MB  Time elapsed: 13 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=384
Safeguard: keep additional 4 states
Emax=10.00196217364434 nrkept=811 nrkeptmult=2074 
Total energy=-3.387520066819625  Egs=-1.203210535958108
Kept: 811 out of 3145, ratio=0.258
Memory used: 83 MB  Time elapsed: 13 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=40 min=1 max=331
Safeguard: keep additional 2 states
Emax=10.0009914497993 nrkept=805 nrkeptmult=2003 
Total energy=-3.387605612781807  Egs=-1.155320327466368
Kept: 805 out of 3066, ratio=0.263
Memory used: 83 MB  Time elapsed: 13 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=371
Safeguard: keep additional 1 states
Emax=10.00892913112112 nrkept=803 nrkeptmult=2058 
Total energy=-3.387665560343756  Egs=-1.144957647548417
Kept: 803 out of 3033, ratio=0.265
Memory used: 83 MB  Time elapsed: 13 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=40 min=1 max=329
Safeguard: keep additional 3 states
Emax=10.00195274179015 nrkept=774 nrkeptmult=1944 
Total energy=-3.387710618295144  Egs=-1.217038556225046
Kept: 774 out of 3034, ratio=0.255
Memory used: 83 MB  Time elapsed: 13 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=356
Emax=10.02260317871962 nrkept=798 nrkeptmult=2024 
Total energy=-3.387738844399574  Egs=-1.078198781621249
Kept: 798 out of 2921, ratio=0.273
Memory used: 83 MB  Time elapsed: 13 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=327
Safeguard: keep additional 2 states
Emax=10.02436037341106 nrkept=763 nrkeptmult=1925 
Total energy=-3.387762724214946  Egs=-1.290012312064216
Kept: 763 out of 3012, ratio=0.253
Memory used: 83 MB  Time elapsed: 14 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=34 min=1 max=349
Safeguard: keep additional 1 states
Emax=10.0051619076445 nrkept=772 nrkeptmult=1942 
Total energy=-3.387775907834558  Egs=-1.007192660138623
Kept: 772 out of 2881, ratio=0.268
Memory used: 83 MB  Time elapsed: 14 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=38 min=1 max=321
Safeguard: keep additional 3 states
Emax=10.00905833911562 nrkept=732 nrkeptmult=1828 
Total energy=-3.387788584862541  Egs=-1.369652312978975
Kept: 732 out of 2914, ratio=0.251
Memory used: 83 MB  Time elapsed: 14 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=337
Safeguard: keep additional 3 states
Emax=10.00195138242765 nrkept=741 nrkeptmult=1848 
Total energy=-3.387794739000205  Egs=-0.9403187389610321
Kept: 741 out of 2762, ratio=0.268
Memory used: 83 MB  Time elapsed: 14 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=38 min=1 max=308
Safeguard: keep additional 1 states
Emax=10.00964514002773 nrkept=674 nrkeptmult=1668 
Total energy=-3.387801430284051  Egs=-1.445880281849174
Kept: 674 out of 2796, ratio=0.241
Memory used: 83 MB  Time elapsed: 14 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=317
Safeguard: keep additional 1 states
Emax=10.00452500770758 nrkept=700 nrkeptmult=1720 
Total energy=-3.387804331505672  Egs=-0.8865817455857028
Kept: 700 out of 2545, ratio=0.275
Memory used: 83 MB  Time elapsed: 14 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=291
Safeguard: keep additional 3 states
Emax=10.03540014400493 nrkept=617 nrkeptmult=1485 
Total energy=-3.38780781954389  Egs=-1.507419442367553
Kept: 617 out of 2636, ratio=0.234
Memory used: 83 MB  Time elapsed: 14 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=298
Safeguard: keep additional 3 states
Emax=10.00115286673183 nrkept=635 nrkeptmult=1544 
Total energy=-3.387809209957048  Egs=-0.8497902512804253
Kept: 635 out of 2322, ratio=0.273
Memory used: 83 MB  Time elapsed: 14 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=36 min=1 max=266
Safeguard: keep additional 1 states
Emax=10.00268924713401 nrkept=562 nrkeptmult=1334 
Total energy=-3.38781100249815  Egs=-1.549358773342134
Kept: 562 out of 2388, ratio=0.235
Memory used: 83 MB  Time elapsed: 14 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=274
Safeguard: keep additional 2 states
Emax=10.01553155047195 nrkept=574 nrkeptmult=1344 
Total energy=-3.387811679545671  Egs=-0.8275934096833912
Kept: 574 out of 2109, ratio=0.272
Memory used: 83 MB  Time elapsed: 14 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=247
Emax=10.02249582654379 nrkept=518 nrkeptmult=1212 
Total energy=-3.387812590327265  Egs=-1.574443621867591
Kept: 518 out of 2152, ratio=0.241
Memory used: 83 MB  Time elapsed: 14 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=254
Emax=10.21611890920856 nrkept=567 nrkeptmult=1322 
Total energy=-3.38781292381049  Egs=-0.8152707485396226
Kept: 567 out of 1938, ratio=0.293
Memory used: 83 MB  Time elapsed: 14 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=10.05341595070002 nrkept=499 nrkeptmult=1149 
Total energy=-3.387813383196667  Egs=-1.588257035085741
Kept: 499 out of 2124, ratio=0.235
Memory used: 83 MB  Time elapsed: 14 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=10.60106279768361 nrkept=567 nrkeptmult=1322 
Total energy=-3.387813548605862  Egs=-0.8087559873969321
Kept: 567 out of 1862, ratio=0.305
Memory used: 83 MB  Time elapsed: 15 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
Safeguard: keep additional 1 states
Emax=10.31260828421473 nrkept=499 nrkeptmult=1149 
Total energy=-3.387813779349059  Egs=-1.595518217915784
Kept: 499 out of 2124, ratio=0.235
Memory used: 83 MB  Time elapsed: 15 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=245
Emax=10.71783138122113 nrkept=567 nrkeptmult=1322 
Total energy=-3.387813861710776  Egs=-0.8054030049485058
Kept: 567 out of 1862, ratio=0.305
Memory used: 83 MB  Time elapsed: 15 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
Safeguard: keep additional 1 states
Emax=10.4645721656123 nrkept=499 nrkeptmult=1149 
Total energy=-3.387813977351675  Egs=-1.599242477944636
Kept: 499 out of 2124, ratio=0.235
Memory used: 83 MB  Time elapsed: 15 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=245
Emax=10.77937143176246 nrkept=567 nrkeptmult=1322 
Total energy=-3.387814018445539  Egs=-0.8037015934331415
Kept: 567 out of 1862, ratio=0.305
Memory used: 83 MB  Time elapsed: 15 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=10.5083623615096 nrkept=498 nrkeptmult=1142 
Total energy=-3.387814076334184  Egs=-1.601128686789896
Kept: 498 out of 2124, ratio=0.234
Memory used: 83 MB  Time elapsed: 15 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=10.81065691249815 nrkept=567 nrkeptmult=1322 
Total energy=-3.387814096859205  Egs=-0.8028445214694763
Kept: 567 out of 1857, ratio=0.305
Memory used: 83 MB  Time elapsed: 15 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=244
Emax=10.51718147536979 nrkept=498 nrkeptmult=1142 
Total energy=-3.387814125820687  Egs=-1.602077895599962
Kept: 498 out of 2124, ratio=0.234
Memory used: 83 MB  Time elapsed: 15 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=10.82624319107703 nrkept=567 nrkeptmult=1322 
Total energy=-3.387814136077699  Egs=-0.8024143763095257
Kept: 567 out of 1857, ratio=0.305
Memory used: 83 MB  Time elapsed: 15 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=244
Emax=10.52161758382478 nrkept=498 nrkeptmult=1142 
Total energy=-3.387814150562743  Egs=-1.602554036819795
Kept: 498 out of 2124, ratio=0.234
Memory used: 83 MB  Time elapsed: 15 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=10.83254699128931 nrkept=567 nrkeptmult=1324 
Total energy=-3.387814155689872  Egs=-0.8021988991966462
Kept: 567 out of 1857, ratio=0.305
Memory used: 83 MB  Time elapsed: 15 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=10.52385360908501 nrkept=498 nrkeptmult=1142 
Total energy=-3.387814162933472  Egs=-1.602792492975906
Kept: 498 out of 2124, ratio=0.234
Memory used: 83 MB  Time elapsed: 15 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=10.83509875938983 nrkept=567 nrkeptmult=1324 
Total energy=-3.387814165496692  Egs=-0.8020910592261949
Kept: 567 out of 1857, ratio=0.305
Memory used: 83 MB  Time elapsed: 15 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=10.52496816349088 nrkept=498 nrkeptmult=1142 
Total energy=-3.387814169118762  Egs=-1.602911817608108
Kept: 498 out of 2124, ratio=0.234
Memory used: 83 MB  Time elapsed: 15 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=10.83637294745263 nrkept=567 nrkeptmult=1324 
Total energy=-3.387814170400286  Egs=-0.8020371138527463
Kept: 567 out of 1857, ratio=0.305
Memory used: 83 MB  Time elapsed: 15 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=10.52552587677537 nrkept=498 nrkeptmult=1142 
Total energy=-3.387814172211388  Egs=-1.602971504083267
Kept: 498 out of 2124, ratio=0.234
Memory used: 83 MB  Time elapsed: 15 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=10.83700961347107 nrkept=567 nrkeptmult=1324 
Total energy=-3.387814172852128  Egs=-0.8020101348149966
Kept: 567 out of 1857, ratio=0.305
Memory used: 83 MB  Time elapsed: 15 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=10.52580484259 nrkept=498 nrkeptmult=1142 
Total energy=-3.387814173757696  Egs=-1.603001353362925
Kept: 498 out of 2124, ratio=0.234
Memory used: 83 MB  Time elapsed: 15 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
Emax=10.83732784048326 nrkept=567 nrkeptmult=1324 
Total energy=-3.387814174078061  Egs=-0.8019966437080378
Kept: 567 out of 1857, ratio=0.305
Memory used: 83 MB  Time elapsed: 15 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=243
Emax=10.5259443528008 nrkept=498 nrkeptmult=1142 
Total energy=-3.387814174530849  Egs=-1.603016279513477
Kept: 498 out of 2124, ratio=0.234
Memory used: 83 MB  Time elapsed: 15 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 2 states
Emax=10.83749530079636 nrkept=569 nrkeptmult=1330 
Total energy=-3.38781417469103  Egs=-0.801989897757555
Kept: 569 out of 1857, ratio=0.306
Memory used: 83 MB  Time elapsed: 16 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=244
Emax=10.52601411473117 nrkept=498 nrkeptmult=1142 
Total energy=-3.387814174917426  Egs=-1.603023742966404
Kept: 498 out of 2132, ratio=0.234
Memory used: 83 MB  Time elapsed: 16 s

** Iteration completed.


Total energy:             -3.387814174917426
TKW=3.180526203056734e-06

Memory usage report
===================
  after diag: 109404 kB
after recalc: 112764 kB
 after split: 112856 kB
  after trim: 96512 kB
 after trunc: 109404 kB
      diag_h: 109404 kB

Peak usage: 112856 kB

Timing report
=============
         All: 16 s
        diag: 15 s
    recalc f: 0 s
       Other: 0 s
