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=0.01 Gamma=0.0006 delta=0.0043 t=0.
epsilon=-0.0007000000000000001
QS SIAM 
Options:
Options: {}
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
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
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]=3.060418339790368
faktor=0.6535054289790315
Generating basis
Basis states generated.
BASIS NR=16
Saving basis to basis.SIAM..QS
PREC=1000
Tmin=1.*^-10
Tmin=1.*^-10 ==> Nmax=34
DISCNMAX=34
mMAX=80
Diagonalisation.
Discretization checksum [-1] (channel 1): \
4.83822093061705809033802083759347651003295512839`10.*^-49
BAND="flat" thetaCh={"2."}
Discretization (channel 1)
"xitable" (channel 1)
0.3863390125
0.8252103354
1.349955859
1.197883541
1.032909727
1.005864731
1.001367058
1.000337242
1.000084047
1.000020996
1.000005248
1.000001312
1.000000328
1.000000082
1.00000002
1.000000005
1.000000001
1.
1.
1.
1.
1.
1.
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-988
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-977
0.e-977
0.e-976
0.e-975
0.e-974
0.e-973
0.e-972
0.e-971
0.e-970
0.e-969
0.e-968
Precision last xi:958.317444281999
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: , SIAM,  Variant: , ,  Channels: , 1}, 
   {# U=, 0.01,  Gamma=, 0.0006,  Delta=, 0.0043,  t=, 0.}, {#}, 
   {# Gamma^(1/2)=, Sqrt[theta0]/Sqrt[Pi]}, {# Lambda=, 4.,  BAND=, flat}, 
   {# DISCRETIZATION=, Z,  z=, 0.25}, {# ops=, }, {#!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={"0.0012"}
gammaPolCh={"0.019544100476116797"}
checkdefinitions[] -> 0.07177640190446719
calcgsenergy[]
diagvc[{-2, 1}]
Generating matrix and saving to ham.SIAM..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.SIAM..QS_-1.2
hamil={{U/2, gammaPolCh[1]}, {gammaPolCh[1], delta - coefzeta[1, 0]}}
dim={2, 2}
det[vec]=-0.9999999999999998 1-abs=2.220446049250313*^-16
orthogonality check=2*Abs[-1 + 
      MyDot[{{-0.7007476912345588, 0.713409190597819}, 
        {0.713409190597819, 0.7007476912345588}}, 
       {{-0.7007476912345588, 0.713409190597819}, 
        {0.713409190597819, 0.7007476912345588}}]] + 
   2*Abs[MyDot[{{-0.7007476912345588, 0.713409190597819}, 
       {0.713409190597819, 0.7007476912345588}}, 
      {{-0.7007476912345588, 0.713409190597819}, 
       {0.713409190597819, 0.7007476912345588}}]]
diagvc[{0, 1}]
Generating matrix and saving to ham.SIAM..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[{{0.5337317328467642, -0.7255972000428285, 0.4343260764015882}, 
        {0.7125706787936883, 0.10931665196119343, -0.6930316712297483}, 
        {0.4553827676536441, 0.6793810218824214, 0.5753850554455722}}, 
       {{0.5337317328467642, 0.7125706787936883, 0.4553827676536441}, 
        {-0.7255972000428285, 0.10931665196119343, 0.6793810218824214}, 
        {0.4343260764015882, -0.6930316712297483, 0.5753850554455722}}]] + 
   6*Abs[MyDot[{{0.5337317328467642, -0.7255972000428285, 
        0.4343260764015882}, {0.7125706787936883, 0.10931665196119343, 
        -0.6930316712297483}, {0.4553827676536441, 0.6793810218824214, 
        0.5753850554455722}}, {{0.5337317328467642, 0.7125706787936883, 
        0.4553827676536441}, {-0.7255972000428285, 0.10931665196119343, 
        0.6793810218824214}, {0.4343260764015882, -0.6930316712297483, 
        0.5753850554455722}}]]
diagvc[{0, 3}]
Generating matrix and saving to ham.SIAM..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.SIAM..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[{{-0.7846854069989208, -0.6198941942323208}, 
        {0.6198941942323208, -0.7846854069989208}}, 
       {{-0.7846854069989208, 0.6198941942323208}, 
        {-0.6198941942323208, -0.7846854069989208}}]] + 
   2*Abs[MyDot[{{-0.7846854069989208, -0.6198941942323208}, 
       {0.6198941942323208, -0.7846854069989208}}, 
      {{-0.7846854069989208, 0.6198941942323208}, 
       {-0.6198941942323208, -0.7846854069989208}}]]
diagvc[{2, 1}]
Generating matrix and saving to ham.SIAM..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):{-0.03257536935650823, -0.014897234162933355, 
   -0.011139658121046975, 0.0043, 0.005, 0.009240226528133264, 
   0.013600000000000001, 0.024197234162933352, 0.02903965812104698, 
   0.046235142828374994}
Lowest energies (GS shifted):{0., 0.017678135193574876, 0.021435711235461258, 
   0.03687536935650823, 0.03757536935650823, 0.041815595884641496, 
   0.046175369356508233, 0.056772603519441585, 0.06161502747755521, 
   0.07881051218488322}
Scale factor SCALE(Ninit):3.060418339790368
Lowest energies (shifted and scaled):
  {0., 0.005776378661613232, 0.007004176833200378, 0.012049127035042573, 
   0.012277853935185233, 0.013663359463303233, 0.01508792727979507, 
   0.018550602308614574, 0.02013287748163727, 0.02575154878671965}
ireducTable: f[0]
Loading module operators.m
"operators.m $Id: operators.m 877 2009-12-16 16:34:11Z zitko $"
$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, 0.010986`4.492384588181306}
{ham, 0.031156`4.166935438279808}
{maketable, 0.850378`6.381157009590008}
{xi, 0.810307`6.360194584159521}
{_, 0}
data
gammaPol=0.019544100476116797

"Success!"


