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=0.001 delta=0 t=0.
epsilon=-0.005
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]=18.197356322817605
faktor=0.21981214903092341
Generating basis
Basis states generated.
BASIS NR=16
Saving basis to basis.SIAM..QS
PREC=1000
Tmin=1.*^-10
Tmin=1.*^-10 ==> Nmax=18
DISCNMAX=18
mMAX=80
Diagonalisation.
Discretization checksum [-1] (channel 1): \
3.93680486403874737872470732874289943419`10.*^-97
BAND="flat" thetaCh={"2."}
Discretization (channel 1)
"xitable" (channel 1)
0.1033887114
0.6258355598
2.034140141
1.276465065
1.006687139
1.0003056
1.000018919
1.000001182
1.000000074
1.000000005
1.
1.
1.
1.
1.
1.
1.
1.
1.
"zetatable" (channel 1)
0.e-1000
0.e-999
0.e-998
0.e-997
0.e-996
0.e-995
0.e-994
0.e-992
0.e-991
0.e-990
0.e-989
0.e-988
0.e-987
0.e-985
0.e-984
0.e-983
0.e-982
0.e-981
0.e-980
Precision last xi:969.2244847791868
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=, 0.001,  Delta=, 0,  t=, 0.}, {#}, 
   {# Gamma^(1/2)=, Sqrt[theta0]/Sqrt[Pi]}, {# Lambda=, 16.,  BAND=, flat}, 
   {# DISCRETIZATION=, Z,  z=, 0.0625}, {# ops=, A_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={"0.002"}
gammaPolCh={"0.025231325220201602"}
checkdefinitions[] -> 0.08592530088080641
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]=-1.0000000000000002 1-abs=-2.220446049250313*^-16
orthogonality check=2*Abs[-1 + 
      MyDot[{{-0.6713418052019354, 0.7411478803775983}, 
        {0.7411478803775983, 0.6713418052019354}}, 
       {{-0.6713418052019354, 0.7411478803775983}, 
        {0.7411478803775983, 0.6713418052019354}}]] + 
   2*Abs[MyDot[{{-0.6713418052019354, 0.7411478803775983}, 
       {0.7411478803775983, 0.6713418052019354}}, 
      {{-0.6713418052019354, 0.7411478803775983}, 
       {0.7411478803775983, 0.6713418052019354}}]]
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]=1.0000000000000002 1-abs=-2.220446049250313*^-16
orthogonality check=3*Abs[-1 + 
      MyDot[{{0.4874728438011987, -0.7243897107998872, 0.4874728438011988}, 
        {0.7071067811865475, 3.816391647148975*^-17, -0.7071067811865479}, 
        {0.5122208767283624, 0.6893907069922367, 0.512220876728362}}, 
       {{0.4874728438011987, 0.7071067811865475, 0.5122208767283624}, 
        {-0.7243897107998872, 3.816391647148975*^-17, 0.6893907069922367}, 
        {0.4874728438011988, -0.7071067811865479, 0.512220876728362}}]] + 
   6*Abs[MyDot[{{0.4874728438011987, -0.7243897107998872, 
        0.4874728438011988}, {0.7071067811865475, 3.816391647148975*^-17, 
        -0.7071067811865479}, {0.5122208767283624, 0.6893907069922367, 
        0.512220876728362}}, {{0.4874728438011987, 0.7071067811865475, 
        0.5122208767283624}, {-0.7243897107998872, 3.816391647148975*^-17, 
        0.6893907069922367}, {0.4874728438011988, -0.7071067811865479, 
        0.512220876728362}}]]
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[{{-0.7411478803775983, -0.6713418052019354}, 
        {0.6713418052019354, -0.7411478803775983}}, 
       {{-0.7411478803775983, 0.6713418052019354}, 
        {-0.6713418052019354, -0.7411478803775983}}]] + 
   2*Abs[MyDot[{{-0.7411478803775983, -0.6713418052019354}, 
       {0.6713418052019354, -0.7411478803775983}}, 
      {{-0.7411478803775983, 0.6713418052019354}, 
       {-0.6713418052019354, -0.7411478803775983}}]]
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):{-0.048024539478062775, -0.022854876697936857, 
   -0.022854876697936857, 0., 0.004999999999999999, 0.005, 0.005, 
   0.027854876697936858, 0.027854876697936858, 0.0530245394780628}
Lowest energies (GS shifted):{0., 0.025169662780125918, 0.025169662780125918, 
   0.048024539478062775, 0.05302453947806277, 0.05302453947806277, 
   0.05302453947806277, 0.07587941617599964, 0.07587941617599964, 
   0.10104907895612558}
Scale factor SCALE(Ninit):18.197356322817605
Lowest energies (shifted and scaled):
  {0., 0.0013831494165207812, 0.0013831494165207812, 0.00263909430722335, 
   0.0029138594935120042, 0.0029138594935120042, 0.0029138594935120042, 
   0.004169804384214573, 0.004169804384214573, 0.005552953800735356}
ireducTable: f[0]
Loading module operators.m
"operators.m $Id: operators.m 877 2009-12-16 16:34:11Z zitko $"
ireducTable: 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, 0.012452`4.546784105506453}
{ham, 0.034398`4.209926935270649}
{maketable, 0.991773`6.44795727439135}
{xi, 0.691245`6.291176996426786}
{_, 0}
data
gammaPol=0.0252313252202016

"Success!"


