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=0 Nmax=66 subspaces=3
Reading <||||> (e)
Reading <||||> (z)

length_coef_table=66 Nmax=66

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

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=6 min=1 max=3
Emax=2.739114338568017 nrkept=10 nrkeptmult=16 
Total energy=-1.174849422888675  Egs=-1.369557169284008
Kept: 10 out of 10, 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=10 min=1 max=8
Emax=5.111542196540538 nrkept=35 nrkeptmult=64 
Total energy=-1.550275911826099  Egs=-0.6189247750235192
Kept: 35 out of 35, 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=15 min=1 max=20
Emax=10.39765136811421 nrkept=126 nrkeptmult=256 
Total energy=-2.229858486961311  Egs=-1.584419534562109
Kept: 126 out of 126, ratio=1
Memory used: 44 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=21 min=1 max=75
Safeguard: keep additional 12 states
Emax=10.72585316726262 nrkept=351 nrkeptmult=784 
Total energy=-2.460730583726097  Egs=-0.7612273761171416
Kept: 351 out of 462, ratio=0.76
Memory used: 60 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=28 min=1 max=156
Safeguard: keep additional 7 states
Emax=10.42430703539225 nrkept=469 nrkeptmult=1095 
Total energy=-2.801455834425387  Egs=-1.588774529774007
Kept: 469 out of 1304, ratio=0.36
Memory used: 61 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=33 min=1 max=226
Safeguard: keep additional 4 states
Emax=10.70219496259588 nrkept=571 nrkeptmult=1332 
Total energy=-2.920871209029337  Egs=-0.7874685035708041
Kept: 571 out of 1754, ratio=0.326
Memory used: 63 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=34 min=1 max=246
Safeguard: keep additional 1 states
Emax=10.41286837815953 nrkept=499 nrkeptmult=1145 
Total energy=-3.092281975029671  Egs=-1.598549321433962
Kept: 499 out of 2140, ratio=0.233
Memory used: 64 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=33 min=1 max=247
Safeguard: keep additional 4 states
Emax=10.840424693615 nrkept=571 nrkeptmult=1332 
Total energy=-3.152802747759587  Egs=-0.7981920668865002
Kept: 571 out of 1862, ratio=0.307
Memory used: 64 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=246
Emax=10.52794377842994 nrkept=498 nrkeptmult=1142 
Total energy=-3.238686500345001  Egs=-1.601876213741988
Kept: 498 out of 2140, ratio=0.233
Memory used: 65 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=33 min=1 max=246
Safeguard: keep additional 7 states
Emax=10.83833410014679 nrkept=574 nrkeptmult=1336 
Total energy=-3.269054387151171  Egs=-0.8010276552470518
Kept: 574 out of 1857, ratio=0.309
Memory used: 65 MB  Time elapsed: 0 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=248
Emax=10.52653531048478 nrkept=498 nrkeptmult=1142 
Total energy=-3.312019432780408  Egs=-1.602740507812947
Kept: 498 out of 2150, ratio=0.232
Memory used: 65 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 12/66 (scale 0.018955579502935006) ***** 
[1] xi(11)=0.01895172987497082 xi_scaled(11)=0.9997969132010135 zeta(12)=0
Stats: nr=33 min=1 max=246
Safeguard: keep additional 7 states
Emax=10.83780935269879 nrkept=574 nrkeptmult=1336 
Total energy=-3.32721695141938  Egs=-0.8017438156728008
Kept: 574 out of 1857, ratio=0.309
Memory used: 65 MB  Time elapsed: 0 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=248
Emax=10.52618595912546 nrkept=498 nrkeptmult=1142 
Total energy=-3.348702394942201  Egs=-1.602958412264263
Kept: 498 out of 2150, ratio=0.232
Memory used: 65 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 14/66 (scale 0.0094777897514675032) ***** 
[1] xi(13)=0.009477308192719294 xi_scaled(13)=0.9999491908176024 zeta(14)=0
Stats: nr=33 min=1 max=246
Safeguard: keep additional 7 states
Emax=10.83767803439798 nrkept=574 nrkeptmult=1336 
Total energy=-3.356302855272471  Egs=-0.8019232890341433
Kept: 574 out of 1857, ratio=0.309
Memory used: 65 MB  Time elapsed: 0 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=248
Emax=10.52609858045123 nrkept=498 nrkeptmult=1142 
Total energy=-3.367045942874426  Egs=-1.603013000588431
Kept: 498 out of 2150, ratio=0.232
Memory used: 65 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 16/66 (scale 0.0047388948757337516) ***** 
[1] xi(15)=0.00473883466982298 xi_scaled(15)=0.9999872953689942 zeta(16)=0
Stats: nr=33 min=1 max=246
Safeguard: keep additional 7 states
Emax=10.83764519712741 nrkept=574 nrkeptmult=1336 
Total energy=-3.37084638579282  Egs=-0.8019681841551068
Kept: 574 out of 1857, ratio=0.309
Memory used: 65 MB  Time elapsed: 0 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=248
Emax=10.52607673360085 nrkept=498 nrkeptmult=1142 
Total energy=-3.376217975347311  Egs=-1.603026654666473
Kept: 498 out of 2150, ratio=0.232
Memory used: 65 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 18/66 (scale 0.0023694474378668758) ***** 
[1] xi(17)=0.002369439911782444 xi_scaled(17)=0.9999968236963979 zeta(18)=0
Stats: nr=33 min=1 max=246
Safeguard: keep additional 7 states
Emax=10.83763698761843 nrkept=574 nrkeptmult=1336 
Total energy=-3.378118223404599  Egs=-0.8019794095953462
Kept: 574 out of 1857, ratio=0.309
Memory used: 65 MB  Time elapsed: 0 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=248
Emax=10.52607127192413 nrkept=498 nrkeptmult=1142 
Total energy=-3.38080402390178  Egs=-1.603030068631214
Kept: 498 out of 2150, ratio=0.232
Memory used: 65 MB  Time elapsed: 0 s

 ***** [NRG] Iteration 20/66 (scale 0.0011847237189334379) ***** 
[1] xi(19)=0.001184722778162086 xi_scaled(19)=0.9999992059149856 zeta(20)=0
Stats: nr=33 min=1 max=246
Safeguard: keep additional 7 states
Emax=10.83763493537247 nrkept=574 nrkeptmult=1336 
Total energy=-3.381754151255302  Egs=-0.8019822160543221
Kept: 574 out of 1857, ratio=0.309
Memory used: 65 MB  Time elapsed: 1 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=248
Emax=10.52606990659272 nrkept=498 nrkeptmult=1142 
Total energy=-3.383097052218912  Egs=-1.603030922154419
Kept: 498 out of 2150, ratio=0.232
Memory used: 65 MB  Time elapsed: 1 s

 ***** [NRG] Iteration 22/66 (scale 0.00059236185946671895) ***** 
[1] xi(21)=0.0005923617418699626 xi_scaled(21)=0.9999998014781768 zeta(22)=0
Stats: nr=33 min=1 max=246
Safeguard: keep additional 7 states
Emax=10.83763442239071 nrkept=574 nrkeptmult=1336 
Total energy=-3.383572116311285  Egs=-0.8019829176728799
Kept: 574 out of 1857, ratio=0.309
Memory used: 65 MB  Time elapsed: 1 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=248
Emax=10.52606956530814 nrkept=498 nrkeptmult=1142 
Total energy=-3.384243566882469  Egs=-1.603031135539299
Kept: 498 out of 2150, ratio=0.232
Memory used: 65 MB  Time elapsed: 1 s

 ***** [NRG] Iteration 24/66 (scale 0.00029618092973335947) ***** 
[1] xi(23)=0.0002961809150337544 xi_scaled(23)=0.9999999503695086 zeta(24)=0
Stats: nr=33 min=1 max=246
Safeguard: keep additional 7 states
Emax=10.83763429418601 nrkept=574 nrkeptmult=1336 
Total energy=-3.384481098980606  Egs=-0.801983093076542
Kept: 574 out of 1857, ratio=0.309
Memory used: 65 MB  Time elapsed: 1 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=248
Emax=10.52606948001135 nrkept=498 nrkeptmult=1142 
Total energy=-3.384816824277371  Egs=-1.603031188886847
Kept: 498 out of 2150, ratio=0.232
Memory used: 65 MB  Time elapsed: 1 s

 ***** [NRG] Iteration 26/66 (scale 0.00014809046486667974) ***** 
[1] xi(25)=0.0001480904630292288 xi_scaled(25)=0.999999987592375 zeta(26)=0
Stats: nr=33 min=1 max=246
Safeguard: keep additional 7 states
Emax=10.83763426215524 nrkept=574 nrkeptmult=1336 
Total energy=-3.384935590332934  Egs=-0.8019831369268081
Kept: 574 out of 1857, ratio=0.309
Memory used: 65 MB  Time elapsed: 1 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=248
Emax=10.52606945869935 nrkept=498 nrkeptmult=1142 
Total energy=-3.385103452982713  Egs=-1.60303120222434
Kept: 498 out of 2150, ratio=0.232
Memory used: 66 MB  Time elapsed: 1 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=33 min=1 max=246
Safeguard: keep additional 7 states
Emax=10.83763425415775 nrkept=574 nrkeptmult=1336 
Total energy=-3.385162836011306  Egs=-0.8019831478890347
Kept: 574 out of 1857, ratio=0.309
Memory used: 66 MB  Time elapsed: 1 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=248
Emax=10.52606945337747 nrkept=498 nrkeptmult=1142 
Total energy=-3.38524676733637  Egs=-1.603031205559017
Kept: 498 out of 2150, ratio=0.232
Memory used: 66 MB  Time elapsed: 1 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=33 min=1 max=246
Safeguard: keep additional 7 states
Emax=10.83763425216351 nrkept=574 nrkeptmult=1336 
Total energy=-3.385276458850768  Egs=-0.8019831506294204
Kept: 574 out of 1857, ratio=0.309
Memory used: 66 MB  Time elapsed: 1 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=248
Emax=10.52606945205006 nrkept=498 nrkeptmult=1142 
Total energy=-3.385318424513322  Egs=-1.603031206392827
Kept: 498 out of 2150, ratio=0.232
Memory used: 66 MB  Time elapsed: 1 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=33 min=1 max=246
Safeguard: keep additional 7 states
Emax=10.83763425166749 nrkept=574 nrkeptmult=1336 
Total energy=-3.385333270270533  Egs=-0.8019831513144361
Kept: 574 out of 1857, ratio=0.309
Memory used: 66 MB  Time elapsed: 1 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=248
Emax=10.52606945171974 nrkept=498 nrkeptmult=1142 
Total energy=-3.385354253101813  Egs=-1.60303120660136
Kept: 498 out of 2150, ratio=0.232
Memory used: 66 MB  Time elapsed: 1 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=33 min=1 max=246
Safeguard: keep additional 7 states
Emax=10.83763425154477 nrkept=574 nrkeptmult=1336 
Total energy=-3.38536167598042  Egs=-0.801983151485644
Kept: 574 out of 1857, ratio=0.309
Memory used: 66 MB  Time elapsed: 1 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=34 min=1 max=248
Emax=10.52606945163791 nrkept=498 nrkeptmult=1142 
Total energy=-3.38537216739606  Egs=-1.603031206653529
Kept: 498 out of 2150, ratio=0.232
Memory used: 66 MB  Time elapsed: 1 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=33 min=1 max=246
Safeguard: keep additional 7 states
Emax=10.83763425151472 nrkept=574 nrkeptmult=1336 
Total energy=-3.385375878835364  Egs=-0.8019831515284316
Kept: 574 out of 1857, ratio=0.309
Memory used: 66 MB  Time elapsed: 1 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=34 min=1 max=248
Emax=10.52606945161783 nrkept=498 nrkeptmult=1142 
Total energy=-3.385381124543184  Egs=-1.603031206666586
Kept: 498 out of 2150, ratio=0.232
Memory used: 66 MB  Time elapsed: 2 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=33 min=1 max=246
Safeguard: keep additional 7 states
Emax=10.83763425150752 nrkept=574 nrkeptmult=1336 
Total energy=-3.385382980262837  Egs=-0.801983151539122
Kept: 574 out of 1857, ratio=0.309
Memory used: 66 MB  Time elapsed: 2 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=34 min=1 max=248
Emax=10.52606945161298 nrkept=498 nrkeptmult=1142 
Total energy=-3.385385603116747  Egs=-1.603031206669858
Kept: 498 out of 2150, ratio=0.232
Memory used: 66 MB  Time elapsed: 2 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=33 min=1 max=246
Safeguard: keep additional 7 states
Emax=10.8376342515059 nrkept=574 nrkeptmult=1336 
Total energy=-3.385386530976572  Egs=-0.8019831515417747
Kept: 574 out of 1857, ratio=0.309
Memory used: 66 MB  Time elapsed: 2 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=34 min=1 max=248
Emax=10.52606945161187 nrkept=498 nrkeptmult=1142 
Total energy=-3.385387842403528  Egs=-1.603031206670687
Kept: 498 out of 2150, ratio=0.232
Memory used: 66 MB  Time elapsed: 2 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=33 min=1 max=246
Safeguard: keep additional 7 states
Emax=10.83763425150554 nrkept=574 nrkeptmult=1336 
Total energy=-3.385388306333441  Egs=-0.8019831515424394
Kept: 574 out of 1857, ratio=0.309
Memory used: 66 MB  Time elapsed: 2 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=34 min=1 max=248
Emax=10.52606945161163 nrkept=498 nrkeptmult=1142 
Total energy=-3.385388962046918  Egs=-1.603031206670884
Kept: 498 out of 2150, ratio=0.232
Memory used: 66 MB  Time elapsed: 2 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=33 min=1 max=246
Safeguard: keep additional 7 states
Emax=10.8376342515055 nrkept=574 nrkeptmult=1336 
Total energy=-3.385389194011875  Egs=-0.8019831515426179
Kept: 574 out of 1857, ratio=0.309
Memory used: 66 MB  Time elapsed: 2 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=34 min=1 max=248
Emax=10.52606945161161 nrkept=498 nrkeptmult=1142 
Total energy=-3.385389521868614  Egs=-1.603031206670938
Kept: 498 out of 2150, ratio=0.232
Memory used: 66 MB  Time elapsed: 2 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=33 min=1 max=246
Safeguard: keep additional 7 states
Emax=10.83763425150559 nrkept=574 nrkeptmult=1336 
Total energy=-3.385389637851092  Egs=-0.8019831515426762
Kept: 574 out of 1857, ratio=0.309
Memory used: 66 MB  Time elapsed: 2 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=34 min=1 max=248
Emax=10.52606945161166 nrkept=498 nrkeptmult=1142 
Total energy=-3.385389801779461  Egs=-1.603031206670938
Kept: 498 out of 2150, ratio=0.232
Memory used: 66 MB  Time elapsed: 2 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=33 min=1 max=246
Safeguard: keep additional 7 states
Emax=10.83763425150563 nrkept=574 nrkeptmult=1336 
Total energy=-3.3853898597707  Egs=-0.8019831515426696
Kept: 574 out of 1857, ratio=0.309
Memory used: 66 MB  Time elapsed: 2 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=34 min=1 max=248
Emax=10.52606945161168 nrkept=498 nrkeptmult=1142 
Total energy=-3.385389941734885  Egs=-1.603031206670948
Kept: 498 out of 2150, ratio=0.232
Memory used: 67 MB  Time elapsed: 2 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=33 min=1 max=246
Safeguard: keep additional 7 states
Emax=10.83763425150561 nrkept=574 nrkeptmult=1336 
Total energy=-3.385389970730505  Egs=-0.8019831515426797
Kept: 574 out of 1857, ratio=0.309
Memory used: 67 MB  Time elapsed: 2 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=34 min=1 max=248
Emax=10.52606945161166 nrkept=498 nrkeptmult=1142 
Total energy=-3.385390011712597  Egs=-1.603031206670941
Kept: 498 out of 2150, ratio=0.232
Memory used: 67 MB  Time elapsed: 2 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=33 min=1 max=246
Safeguard: keep additional 7 states
Emax=10.8376342515056 nrkept=574 nrkeptmult=1336 
Total energy=-3.385390026210407  Egs=-0.8019831515426783
Kept: 574 out of 1857, ratio=0.309
Memory used: 67 MB  Time elapsed: 2 s

 ***** [NRG] Iteration 53/66 (scale 1.2782687003942555e-08) ***** 
[1] xi(52)=1.278268700394256e-08 xi_scaled(52)=1 zeta(53)=0
Stats: nr=34 min=1 max=248
Emax=10.52606945161165 nrkept=498 nrkeptmult=1142 
Total energy=-3.385390046701453  Egs=-1.603031206670939
Kept: 498 out of 2150, ratio=0.232
Memory used: 67 MB  Time elapsed: 2 s

 ***** [NRG] Iteration 54/66 (scale 9.0387246622729332e-09) ***** 
[1] xi(53)=9.038724662272933e-09 xi_scaled(53)=1 zeta(54)=0
Stats: nr=33 min=1 max=246
Safeguard: keep additional 7 states
Emax=10.83763425150562 nrkept=574 nrkeptmult=1336 
Total energy=-3.385390053950358  Egs=-0.8019831515426681
Kept: 574 out of 1857, ratio=0.309
Memory used: 67 MB  Time elapsed: 2 s

 ***** [NRG] Iteration 55/66 (scale 6.3913435019712775e-09) ***** 
[1] xi(54)=6.391343501971278e-09 xi_scaled(54)=1 zeta(55)=0
Stats: nr=34 min=1 max=248
Emax=10.52606945161168 nrkept=498 nrkeptmult=1142 
Total energy=-3.385390064195881  Egs=-1.603031206670953
Kept: 498 out of 2150, ratio=0.232
Memory used: 67 MB  Time elapsed: 3 s

 ***** [NRG] Iteration 56/66 (scale 4.5193623311364666e-09) ***** 
[1] xi(55)=4.519362331136467e-09 xi_scaled(55)=1 zeta(56)=0
Stats: nr=33 min=1 max=246
Safeguard: keep additional 7 states
Emax=10.83763425150561 nrkept=574 nrkeptmult=1336 
Total energy=-3.385390067820333  Egs=-0.80198315154266
Kept: 574 out of 1857, ratio=0.309
Memory used: 67 MB  Time elapsed: 3 s

 ***** [NRG] Iteration 57/66 (scale 3.1956717509856388e-09) ***** 
[1] xi(56)=3.195671750985639e-09 xi_scaled(56)=1 zeta(57)=0
Stats: nr=34 min=1 max=248
Emax=10.52606945161166 nrkept=498 nrkeptmult=1142 
Total energy=-3.385390072943095  Egs=-1.603031206670962
Kept: 498 out of 2150, ratio=0.232
Memory used: 67 MB  Time elapsed: 3 s

 ***** [NRG] Iteration 58/66 (scale 2.2596811655682333e-09) ***** 
[1] xi(57)=2.259681165568233e-09 xi_scaled(57)=1 zeta(58)=0
Stats: nr=33 min=1 max=246
Safeguard: keep additional 7 states
Emax=10.83763425150562 nrkept=574 nrkeptmult=1336 
Total energy=-3.385390074755321  Egs=-0.801983151542679
Kept: 574 out of 1857, ratio=0.309
Memory used: 67 MB  Time elapsed: 3 s

 ***** [NRG] Iteration 59/66 (scale 1.5978358754928194e-09) ***** 
[1] xi(58)=1.597835875492819e-09 xi_scaled(58)=1 zeta(59)=0
Stats: nr=34 min=1 max=248
Emax=10.52606945161166 nrkept=498 nrkeptmult=1142 
Total energy=-3.385390077316702  Egs=-1.603031206670944
Kept: 498 out of 2150, ratio=0.232
Memory used: 67 MB  Time elapsed: 3 s

 ***** [NRG] Iteration 60/66 (scale 1.1298405827841166e-09) ***** 
[1] xi(59)=1.129840582784117e-09 xi_scaled(59)=1 zeta(60)=0
Stats: nr=33 min=1 max=246
Safeguard: keep additional 7 states
Emax=10.83763425150563 nrkept=574 nrkeptmult=1336 
Total energy=-3.385390078222815  Egs=-0.8019831515426867
Kept: 574 out of 1857, ratio=0.309
Memory used: 67 MB  Time elapsed: 3 s

 ***** [NRG] Iteration 61/66 (scale 7.9891793774640969e-10) ***** 
[1] xi(60)=7.989179377464097e-10 xi_scaled(60)=1 zeta(61)=0
Stats: nr=34 min=1 max=248
Emax=10.52606945161167 nrkept=498 nrkeptmult=1142 
Total energy=-3.385390079503505  Egs=-1.603031206670932
Kept: 498 out of 2150, ratio=0.232
Memory used: 67 MB  Time elapsed: 3 s

 ***** [NRG] Iteration 62/66 (scale 5.6492029139205832e-10) ***** 
[1] xi(61)=5.649202913920583e-10 xi_scaled(61)=1 zeta(62)=0
Stats: nr=33 min=1 max=246
Safeguard: keep additional 7 states
Emax=10.83763425150562 nrkept=574 nrkeptmult=1336 
Total energy=-3.385390079956562  Egs=-0.8019831515426658
Kept: 574 out of 1857, ratio=0.309
Memory used: 67 MB  Time elapsed: 3 s

 ***** [NRG] Iteration 63/66 (scale 3.9945896887320485e-10) ***** 
[1] xi(62)=3.994589688732048e-10 xi_scaled(62)=1 zeta(63)=0
Stats: nr=34 min=1 max=248
Emax=10.52606945161165 nrkept=498 nrkeptmult=1142 
Total energy=-3.385390080596907  Egs=-1.603031206670954
Kept: 498 out of 2150, ratio=0.232
Memory used: 67 MB  Time elapsed: 3 s

 ***** [NRG] Iteration 64/66 (scale 2.8246014569602916e-10) ***** 
[1] xi(63)=2.824601456960292e-10 xi_scaled(63)=1 zeta(64)=0
Stats: nr=33 min=1 max=246
Safeguard: keep additional 7 states
Emax=10.83763425150561 nrkept=574 nrkeptmult=1336 
Total energy=-3.385390080823435  Egs=-0.8019831515426645
Kept: 574 out of 1857, ratio=0.309
Memory used: 67 MB  Time elapsed: 3 s

 ***** [NRG] Iteration 65/66 (scale 1.9972948443660242e-10) ***** 
[1] xi(64)=1.997294844366024e-10 xi_scaled(64)=1 zeta(65)=0
Stats: nr=34 min=1 max=248
Emax=10.52606945161165 nrkept=498 nrkeptmult=1142 
Total energy=-3.385390081143608  Egs=-1.603031206670953
Kept: 498 out of 2150, ratio=0.232
Memory used: 67 MB  Time elapsed: 3 s

 ***** [NRG] Iteration 66/66 (scale 1.4123007284801458e-10) ***** 
[1] xi(65)=1.412300728480146e-10 xi_scaled(65)=1 zeta(66)=0
Stats: nr=33 min=1 max=246
Safeguard: keep additional 7 states
Emax=10.83763425150562 nrkept=574 nrkeptmult=1336 
Total energy=-3.385390081256872  Egs=-0.8019831515426643
Kept: 574 out of 1857, ratio=0.309
Memory used: 67 MB  Time elapsed: 3 s

** Iteration completed.


Total energy:             -3.385390081256872
TKW=0

Memory usage report
===================
  after diag: 69116 kB
after recalc: 69116 kB
 after split: 69116 kB
  after trim: 69116 kB
 after trunc: 69116 kB
      diag_h: 69116 kB

Peak usage: 69116 kB

Timing report
=============
         All: 3 s
        diag: 3 s
    recalc f: 0 s
       Other: 0 s
