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: 8.0 for Mac OS X x86 (64-bit) (November 6, 2010)
sneg version: 1.233
Loading module initialparse.m
Discretization: Z
U=0.5 Gamma=0.03 delta=0. t=0.
epsilon=-0.25
{{epsilon, -0.15}}
{extraepsilon}
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. -coefzeta[1, 0] + epsilon*nc[d[0, 0], d[1, 0]] + 
   gammaPolCh[1]*nc[d[0, 0], f[1, 0, 0]] + epsilon*nc[d[0, 1], d[1, 1]] + 
   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]=1.0820212806667224
faktor=1.8483924814931878
Generating basis
Basis states generated.
BASIS NR=16
Saving basis to basis.model..QS
PREC=1000
Tmin=1.*^-8
Tmin=1.*^-8 ==> Nmax=26
DISCNMAX=26
mMAX=80
Diagonalisation.
Discretization checksum [-1] (channel 1): \
1.71056941445900521352994333897694840244172600327`10.*^-49
BAND="flat" thetaCh={"2."}
Discretization (channel 1)
"xitable" (channel 1)
0.8728715609
0.9453729031
0.984886061
0.9961260497
0.9990254621
0.999755986
0.9999389728
0.9999847417
0.9999961853
0.9999990463
0.9999997616
0.9999999404
0.9999999851
0.9999999963
0.9999999991
1.
1.
1.
1.
1.
1.
1.
1.
1.
1.
1.
1.
"zetatable" (channel 1)
0.e-999
0.e-998
0.e-998
0.e-997
0.e-996
0.e-995
0.e-994
0.e-993
0.e-992
0.e-991
0.e-990
0.e-989
0.e-989
0.e-988
0.e-987
0.e-986
0.e-985
0.e-984
0.e-983
0.e-982
0.e-981
0.e-980
0.e-979
0.e-978
0.e-978
0.e-977
0.e-976
Precision last xi:967.6859122012485
Precision last zeta: 0.
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.,  t=, 0.}, 
   {#,  extraepsilon=, -0.15}, {# Gamma^(1/2)=, Sqrt[theta0]/Sqrt[Pi]}, 
   {# Lambda=, 4.,  BAND=, flat}, {# DISCRETIZATION=, Z,  z=, 1.}, 
   {# 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, 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, 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={"2."}
theta0Ch={"0.06"}
gammaPolCh={"0.13819765978853418"}
checkdefinitions[] -> -0.24720936084586329
calcgsenergy[]
diagvc[{-2, 1}]
Generating matrix and saving to ham.model..QS_-2.1
hamil={{-coefzeta[1, 0]}}
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={{0, gammaPolCh[1]}, {gammaPolCh[1], epsilon - coefzeta[1, 0]}}
dim={2, 2}
det[vec]=-1. 1-abs=0.
orthogonality check=2*Abs[-1 + 
      MyDot[{{-0.5113776389448578, 0.8593561021993052}, 
        {0.8593561021993052, 0.5113776389448578}}, 
       {{-0.5113776389448578, 0.8593561021993052}, 
        {0.8593561021993052, 0.5113776389448578}}]] + 
   2*Abs[MyDot[{{-0.5113776389448578, 0.8593561021993052}, 
       {0.8593561021993052, 0.5113776389448578}}, 
      {{-0.5113776389448578, 0.8593561021993052}, 
       {0.8593561021993052, 0.5113776389448578}}]]
diagvc[{0, 1}]
Generating matrix and saving to ham.model..QS_0.1
hamil={{coefzeta[1, 0], Sqrt[2]*gammaPolCh[1], 0}, 
   {Sqrt[2]*gammaPolCh[1], epsilon, Sqrt[2]*gammaPolCh[1]}, 
   {0, Sqrt[2]*gammaPolCh[1], 2*epsilon + U - coefzeta[1, 0]}}
dim={3, 3}
det[vec]=1.0000000000000002 1-abs=-2.220446049250313*^-16
orthogonality check=3*Abs[-1 + 
      MyDot[{{0.48027231236657797, -0.8239186650425098, 
         0.3008264273108811}, {0.8250591880560856, 0.3079646429471348, 
         -0.47374583364782896}, 
        {0.2976841315527125, 0.47572661486300355, 0.8276885559995953}}, 
       {{0.48027231236657797, 0.8250591880560856, 0.2976841315527125}, 
        {-0.8239186650425098, 0.3079646429471348, 0.47572661486300355}, 
        {0.3008264273108811, -0.47374583364782896, 0.8276885559995953}}]] + 
   6*Abs[MyDot[{{0.48027231236657797, -0.8239186650425098, 
        0.3008264273108811}, {0.8250591880560856, 0.3079646429471348, 
        -0.47374583364782896}, 
       {0.2976841315527125, 0.47572661486300355, 0.8276885559995953}}, 
      {{0.48027231236657797, 0.8250591880560856, 0.2976841315527125}, 
       {-0.8239186650425098, 0.3079646429471348, 0.47572661486300355}, 
       {0.3008264273108811, -0.47374583364782896, 0.8276885559995953}}]]
diagvc[{0, 3}]
Generating matrix and saving to ham.model..QS_0.3
hamil={{epsilon}}
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={{epsilon + coefzeta[1, 0], -gammaPolCh[1]}, 
   {-gammaPolCh[1], 2*epsilon + U}}
dim={2, 2}
det[vec]=1. 1-abs=0.
orthogonality check=2*Abs[-1 + 
      MyDot[{{-0.944668203181769, -0.3280274163805946}, 
        {0.3280274163805946, -0.944668203181769}}, 
       {{-0.944668203181769, 0.3280274163805946}, 
        {-0.3280274163805946, -0.944668203181769}}]] + 
   2*Abs[MyDot[{{-0.944668203181769, -0.3280274163805946}, 
       {0.3280274163805946, -0.944668203181769}}, 
      {{-0.944668203181769, 0.3280274163805946}, 
       {-0.3280274163805946, -0.944668203181769}}]]
diagvc[{2, 1}]
Generating matrix and saving to ham.model..QS_2.1
hamil={{2*epsilon + U + coefzeta[1, 0]}}
dim={1, 1}
det[vec]=1. 1-abs=0.
orthogonality check=Abs[-1 + MyDot[{{1.}}, {{1.}}]]
Lowest energies (absolute):{-0.3352837288160816, -0.23223737841565356, 
   -0.19798787673554685, -0.15, 0., 0.0729510320227, 0.08223737841565357, 
   0.2, 0.24798787673554687, 0.3123326967933819}
Lowest energies (GS shifted):{0., 0.10304635040042803, 0.13729585208053474, 
   0.1852837288160816, 0.3352837288160816, 0.4082347608387816, 
   0.4175211072317352, 0.5352837288160817, 0.5832716055516285, 
   0.6476164256094634}
Scale factor SCALE(Ninit):1.0820212806667224
Lowest energies (shifted and scaled):
  {0., 0.09523504966273186, 0.12688831036293063, 0.17123852564333397, 
   0.30986796175532305, 0.37728903130928676, 0.3858714377359252, 
   0.4947072099046419, 0.5390574251850452, 0.5985246659940123}
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
Can't load modeloperators.m. Continuing.
-- maketable[] done --
Timing report
{basis, 0.010905`4.489170663410688}
{ham, 0.02263`4.028078297067059}
{maketable, 0.847525`6.3796975112288}
{xi, 0.725056`6.311916544276296}
{_, 0}
data
gammaPol=0.13819765978853418

"Success!"


