NRG Ljubljana  (c) Rok Zitko, rok.zitko@ijs.si, 2005-2012
initial $Id: initial.m,v 1.1 2012/05/15 09:58:19 rokzitko Exp rokzitko $
Mathematica version: 9.0 for Mac OS X x86 (64-bit) (November 20, 2012)
sneg version: 1.233
Loading module initialparse.m
Discretization: Z
U=0.5 Gamma=0.03 delta=0.1 t=0.
epsilon=-0.15
QS ../model.m 
Options:
Options: {}
Loading module models.m
"models $Id: models.m 877 2009-12-16 16:34:11Z zitko $"
Loading module custommodels.m
models $Id: custommodels.m,v 1.2 2011/10/21 16:59:38 rokzitko Exp rokzitko $
custommodels.m done
Loading module ../model.m
def1ch, NRDOTS=1
COEFCHANNELS:1
Hc=gammaPolCh[1]*(nc[d[0, 0], f[1, 0, 0]] + nc[d[0, 1], f[1, 0, 1]] + 
     nc[f[0, 0, 0], d[1, 0]] + nc[f[0, 0, 1], d[1, 1]])
H0=coefzeta[1, 0]*(-1 + nc[f[0, 0, 0], f[1, 0, 0]] + 
     nc[f[0, 0, 1], f[1, 0, 1]])
adddots, nrdots=1
"selfopd[CR,UP]="-0.15*d[0, 1] - 0.5*nc[d[0, 0], d[0, 1], d[1, 0]]
"selfopd[CR,DO]="-0.15*d[0, 0] + 0.5*nc[d[0, 0], d[0, 1], d[1, 1]]
"selfopd[AN,UP]="0.15*d[1, 1] - 0.5*nc[d[0, 0], d[1, 0], d[1, 1]]
"selfopd[AN,DO]="0.15*d[1, 0] + 0.5*nc[d[0, 1], d[1, 0], d[1, 1]]
NRDOTS:1
CHANNELS:1
basis:{d[], f[0]}
lrchain:{}
lrextrarule:{}
NROPS:2
Hamiltonian generated. U/2 - coefzeta[1, 0] + delta*nc[d[0, 0], d[1, 0]] - 
   (U*nc[d[0, 0], d[1, 0]])/2 + gammaPolCh[1]*nc[d[0, 0], f[1, 0, 0]] + 
   delta*nc[d[0, 1], d[1, 1]] - (U*nc[d[0, 1], d[1, 1]])/2 + 
   gammaPolCh[1]*nc[d[0, 1], f[1, 0, 1]] + 
   gammaPolCh[1]*nc[f[0, 0, 0], d[1, 0]] + 
   coefzeta[1, 0]*nc[f[0, 0, 0], f[1, 0, 0]] + 
   gammaPolCh[1]*nc[f[0, 0, 1], d[1, 1]] + 
   coefzeta[1, 0]*nc[f[0, 0, 1], f[1, 0, 1]] - 
   U*nc[d[0, 0], d[0, 1], d[1, 0], d[1, 1]]
H-conj[H]=0
SCALE[0]=1.1124699549106558
faktor=1.2712375342187763
Generating basis
Basis states generated.
BASIS NR=16
Saving basis to basis.model..QS
PREC=1000
Tmin=1.*^-8
Tmin=1.*^-8 ==> Nmax=53
DISCNMAX=53
mMAX=106
rho[0]=0.0000300161346563077
pos=0.000613480452894044
neg=0.0006514280199551451
theta=0.039965613283678223807556166393701616598783240298284976977330052185131\
14707933820675194893434465423260271897749247725447669843807271442385159689606\
00718044779176123642273805941540025672525706653206452651557561696785055551964\
34058643020873821283190099386448557099752714274524061977765139938490584175847\
70247089484005963299572750273658032460244536545544218565615133765918567454069\
63541084885199515462714838252488928631774017838493978254869377850696322354700\
60382152941573746563594169358370409765025530110304131305527527974627812472104\
34678324084301564074790820640332192083168892803851418798082220187639793128328\
37349001111778999864240250688920175072703013032504225828299163660366780353561\
35019709528982596966671165037102712369662310860182035593153550630347551363188\
95043679226255355298823956244084598989369617730694152219132524495470921515405\
38373823167100023409541232236928529786430407934090246651592281783850473927701\
97930327599697074380253432261472491345598287672312791057388083044660312153837\
6130646061679012847325749441`1000.
{1, 0.9903134695557834}
{2, 1.0049752805155938}
{3, 1.0076936736645838}
{4, 1.0088396328155482}
{5, 1.0093687199625425}
{6, 1.0096232485426435}
{7, 1.0097481128102639}
{8, 1.0098099626423742}
{9, 1.0098407382334755}
{10, 1.0098560764704982}
{11, 1.00986371271585}
{12, 1.0098674467235886}
{13, 1.0098690827623251}
{14, 1.0098692616373381}
{15, 1.0098675291562378}
{16, 1.0098615128929103}
{17, 1.0098439492139004}
{18, 1.0097939828487719}
{19, 1.0096525102768126}
{20, 1.009397158069881}
{21, 1.0091400418309888}
{22, 1.0088829255920968}
{23, 1.0086258093532048}
{24, 1.0083686931143125}
{25, 1.0081115768754205}
{26, 1.0078544606365285}
{27, 1.0075973443976365}
{28, 1.0073402281587442}
{29, 1.0073080886288828}
{30, 1.0073080886288828}
{1, 1.0066191201484436}
{2, 1.0131395164286283}
{3, 1.0116540656270698}
{4, 1.0108051564212601}
{5, 1.0103496640623144}
{6, 1.0101134923646478}
{7, 1.0099932055969036}
{8, 1.0099325019324168}
{9, 1.009901997142441}
{10, 1.0098866771650064}
{11, 1.0098789316293681}
{12, 1.0098748257798387}
{13, 1.009872120573795}
{14, 1.0098689370350322}
{15, 1.0098621524204843}
{16, 1.00984407544468}
{17, 1.0097935125719164}
{18, 1.0096507617895192}
{19, 1.0092470844754207}
{20, 1.0085185895640012}
{21, 1.0077850765737435}
{22, 1.007051563583486}
{23, 1.0063180505932283}
{24, 1.0055845376029706}
{25, 1.0048510246127131}
{26, 1.0041175116224554}
{27, 1.003383998632198}
{28, 1.0026504856419403}
{29, 1.0025587965181582}
{30, 1.0025587965181582}
Diagonalisation.
Discretization checksum [-1] (channel 1): \
1.009525457085999112864325300401374133748326`10.*^-35
BAND="asymode" thetaCh={"0.03996561328"}
Discretization (channel 1)
"xitable" (channel 1)
0.7742942341
0.7257172494
0.9565165705
0.8191555862
0.9920252639
0.8403737825
1.005152061
0.84706512
1.008700365
0.8486927956
1.009582453
0.8490789154
1.009800094
0.8491699254
1.009853528
0.8491916876
1.009866114
0.8491981104
1.009867573
0.8492034631
1.009863272
0.8492156786
1.009849042
0.8492495407
1.009808293
0.8493451289
1.009692951
0.8496152703
1.00936714
0.8503775379
1.008449444
0.8525184013
1.005887353
0.8584442534
0.9989359558
0.8741116823
0.9818084505
0.9098638997
0.9524245601
0.9593911522
0.9592602256
0.990687965
1.00515085
1.007723071
1.007458012
1.00747095
1.006977623
1.006975117
1.006482537
1.006478176
1.005989353
1.005976659
1.005508843
1.005443616
"zetatable" (channel 1)
-0.211632971
0.1142565062
0.002579318796
0.04897998711
0.006394991268
0.01424189538
0.002023066246
0.003891752315
0.0005666933003
0.001040924731
0.0001529743034
0.0002761652844
0.00004081972099
0.00007295801167
0.00001083371734
0.00001921451376
2.864734266e-6
5.047120575e-6
7.552383931e-7
1.322639598e-6
1.986090891e-7
3.458843289e-7
5.21514317e-8
9.029736589e-8
1.372779346e-8
2.35637759e-8
3.69235511e-9
6.188955371e-9
1.107462005e-9
1.699376309e-9
4.821954679e-10
5.854976278e-10
3.73984429e-10
3.926293518e-10
3.835458106e-10
5.292665817e-10
3.716229067e-10
8.515410996e-10
4.651186377e-10
9.390163049e-10
4.889799443e-10
6.832502396e-10
3.21265612e-10
4.04674517e-10
1.744873895e-10
2.263585569e-10
9.094109646e-11
1.23440871e-10
4.63452079e-11
6.644125037e-11
2.329282443e-11
3.556993052e-11
1.150438496e-11
1.907783508e-11
Precision last xi:946.1618062551394
Precision last zeta: 943.6889660159426
Discretization done.
--EOF--
           {{# Input file for NRG Ljubljana, Rok Zitko, rok.zitko@ijs.si, \

maketable[]

2005-2012}, {# symtype , QS}, {# $Id: initial.m,v 1.1 2012/05/15 09:58:19 \
rokzitko Exp rokzitko $}, {# Using sneg version , 1.233}, 
   {# Model: , ../model.m,  Variant: , ,  Channels: , 1}, 
   {# U=, 0.5,  Gamma=, 0.03,  Delta=, 0.1,  t=, 0.}, {#}, 
   {# Gamma^(1/2)=, Sqrt[theta0]/Sqrt[Pi]}, {# Lambda=, 2.,  BAND=, asymode}, 
   {# DISCRETIZATION=, Z,  z=, 0.875}, {# ops=, A_d self_d}, {#!7}, 
   {# Number of channels, impurities, subspaces: }, {1, 1, 6}}
exnames={an1x, an1y, an1z, an2x, an2y, an2z, anB2, anB4, anB6, anD, anE, 
   anodelta, B, beta, Bf, Borb, Bx, By, Bz, d, delta1, delta2, delta3, 
   deltaeps, eps, eps0, eps1, eps2, eps3, epsilon, F0, F2, F4, g, g1, g2, 
   Gamma1, Gamma2, Gamma2to2, Gamma3, gammaa, gch, ggg, gl, gs, J0, J1, J12, 
   J2, Jad, Jcharge, Jcharge1, Jcharge2, JH, jhop, Jhund, Jkondo, Jkondo1, 
   Jkondo1ch2, Jkondo1P, Jkondo1Z, Jkondo2, Jkondo2ch2, Jkondo2P, Jkondo2Z, 
   Jkondo3, JkondoDM, JkondoP, JkondoZ, Jspin, k, kappa, kFR, lr, lslambda, 
   maj1do, maj1up, maj2do, maj2up, majdelta, majdeltado, majdeltaup, n0, 
   omega, pairdelta, phi, Pl, Pr, Ra, t0, t12, ta, tab, tad, Tad, tb, tpp, 
   tpp12, tpp13, tpp23, U1, U12, U2, U3, Uad, Uf, Uprime, V, V1, V2, V3}
thetaCh={"0.03996561328"}
theta0Ch={"0.039965613283678224"}
gammaPolCh={"0.1127894047133551"}
checkdefinitions[] -> -0.31047535219456895
calcgsenergy[]
diagvc[{-2, 1}]
Generating matrix and saving to ham.model..QS_-2.1
hamil={{(U - 2*coefzeta[1, 0])/2}}
dim={1, 1}
det[vec]=1. 1-abs=0.
orthogonality check=Abs[-1 + MyDot[{{1.}}, {{1.}}]]
diagvc[{-1, 2}]
Generating matrix and saving to ham.model..QS_-1.2
hamil={{U/2, gammaPolCh[1]}, {gammaPolCh[1], delta - coefzeta[1, 0]}}
dim={2, 2}
det[vec]=1. 1-abs=0.
orthogonality check=2*Abs[-1 + 
      MyDot[{{-0.7948462387165998, 0.6068108904741857}, 
        {-0.6068108904741857, -0.7948462387165998}}, 
       {{-0.7948462387165998, -0.6068108904741857}, 
        {0.6068108904741857, -0.7948462387165998}}]] + 
   2*Abs[MyDot[{{-0.7948462387165998, 0.6068108904741857}, 
       {-0.6068108904741857, -0.7948462387165998}}, 
      {{-0.7948462387165998, -0.6068108904741857}, 
       {0.6068108904741857, -0.7948462387165998}}]]
diagvc[{0, 1}]
Generating matrix and saving to ham.model..QS_0.1
hamil={{U/2 + coefzeta[1, 0], Sqrt[2]*gammaPolCh[1], 0}, 
   {Sqrt[2]*gammaPolCh[1], delta, Sqrt[2]*gammaPolCh[1]}, 
   {0, Sqrt[2]*gammaPolCh[1], (4*delta + U - 2*coefzeta[1, 0])/2}}
dim={3, 3}
det[vec]=1.0000000000000004 1-abs=-4.440892098500626*^-16
orthogonality check=3*Abs[-1 + 
      MyDot[{{-0.7308294194754732, 0.6683390944631663, 
         -0.13860452532763046}, 
        {-0.679516330866406, -0.693255466129684, 0.2401133373371248}, 
        {0.0643887856307327, 0.26966592942652057, 0.9607988191039425}}, 
       {{-0.7308294194754732, -0.679516330866406, 0.0643887856307327}, 
        {0.6683390944631663, -0.693255466129684, 0.26966592942652057}, 
        {-0.13860452532763046, 0.2401133373371248, 0.9607988191039425}}]] + 
   6*Abs[MyDot[{{-0.7308294194754732, 0.6683390944631663, 
        -0.13860452532763046}, 
       {-0.679516330866406, -0.693255466129684, 0.2401133373371248}, 
       {0.0643887856307327, 0.26966592942652057, 0.9607988191039425}}, 
      {{-0.7308294194754732, -0.679516330866406, 0.0643887856307327}, 
       {0.6683390944631663, -0.693255466129684, 0.26966592942652057}, 
       {-0.13860452532763046, 0.2401133373371248, 0.9607988191039425}}]]
diagvc[{0, 3}]
Generating matrix and saving to ham.model..QS_0.3
hamil={{delta}}
dim={1, 1}
det[vec]=1. 1-abs=0.
orthogonality check=Abs[-1 + MyDot[{{1.}}, {{1.}}]]
diagvc[{1, 2}]
Generating matrix and saving to ham.model..QS_1.2
hamil={{delta + coefzeta[1, 0], -gammaPolCh[1]}, 
   {-gammaPolCh[1], (4*delta + U)/2}}
dim={2, 2}
det[vec]=1.0000000000000002 1-abs=-2.220446049250313*^-16
orthogonality check=2*Abs[-1 + 
      MyDot[{{-0.9818218768601211, -0.18980464198451344}, 
        {0.18980464198451344, -0.9818218768601211}}, 
       {{-0.9818218768601211, 0.18980464198451344}, 
        {-0.18980464198451344, -0.9818218768601211}}]] + 
   2*Abs[MyDot[{{-0.9818218768601211, -0.18980464198451344}, 
       {0.18980464198451344, -0.9818218768601211}}, 
      {{-0.9818218768601211, 0.18980464198451344}, 
       {-0.18980464198451344, -0.9818218768601211}}]]
diagvc[{2, 1}]
Generating matrix and saving to ham.model..QS_2.1
hamil={{2*delta + U/2 + coefzeta[1, 0]}}
dim={1, 1}
det[vec]=1. 1-abs=0.
orthogonality check=Abs[-1 + MyDot[{{1.}}, {{1.}}]]
Lowest energies (absolute):{-0.13343728513572145, -0.10750235430212485, 0.1, 
   0.16389298234502048, 0.20110043195060928, 0.23836702895201076, 
   0.3977399887029688, 0.4616329710479893, 0.47180431408773216, 
   0.7064019223515156}
Lowest energies (GS shifted):{0., 0.025934930833596603, 0.23343728513572146, 
   0.2973302674807419, 0.33453771708633073, 0.3718043140877322, 
   0.5311772738386902, 0.5950702561837107, 0.6052415992234537, 
   0.839839207487237}
Scale factor SCALE(Ninit):1.1124699549106558
Lowest energies (shifted and scaled):
  {0., 0.023312926986580485, 0.20983693456644334, 0.2672703799039867, 
   0.3007161816906759, 0.3342151511117371, 0.47747561315608733, 
   0.5349090584936307, 0.5440520856781805, 0.7549320354945548}
ireducTable: f[0]
Loading module operators.m
"operators.m $Id: operators.m 877 2009-12-16 16:34:11Z zitko $"
ireducTable: d[#1, #2] & 
ireducTable: Chop[Expand[komutator[Hselfd /. params, d[#1, #2]]]] & 
$Id: operators.m 877 2009-12-16 16:34:11Z zitko $ DONE
Loading module customoperators.m
"customoperators $Id: customoperators.m,v 1.3 2010/04/07 09:12:36 rok Exp rok \
$"
Customoperators done.
Loading module modeloperators.m
-- maketable[] done --
Timing report
{basis, 0.015269`4.63535558859411}
{ham, 0.042001`4.2966533737319414}
{maketable, 0.536281`6.180937404031057}
{xi, 1.707058`6.6837932707044505}
{_, 0}
data
gammaPol=0.1127894047133551
"Success!"
