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]=1.668704932365983
faktor=1.1985342412599502
Generating basis
Basis states generated.
BASIS NR=16
Saving basis to basis.SIAM..QS
PREC=1000
Tmin=1.*^-10
Tmin=1.*^-10 ==> Nmax=33
DISCNMAX=33
mMAX=80
Diagonalisation.
Discretization checksum [-1] (channel 1): \
2.63805866859040045481771749759015234178289350349`10.*^-49
BAND="flat" thetaCh={"2."}
Discretization (channel 1)
"xitable" (channel 1)
0.7228154654
1.041706661
1.073119409
1.015967389
1.002677169
1.000580439
1.000140693
1.000034923
1.000008716
1.000002178
1.000000544
1.000000136
1.000000034
1.000000009
1.000000002
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
Precision last xi:959.2861648763923
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=, 4.,  BAND=, flat}, 
   {# DISCRETIZATION=, Z,  z=, 0.6875}, {# 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):1.668704932365983
Lowest energies (shifted and scaled):
  {0., 0.015083351341473513, 0.015083351341473513, 0.028779527492599245, 
   0.03177586309574912, 0.03177586309574912, 0.03177586309574912, 
   0.04547203924687486, 0.04547203924687486, 0.06055539058834839}
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, 0.012757`4.557293549022966}
{ham, 0.032951`4.19126234225152}
{maketable, 0.962395`6.434898351512241}
{xi, 0.8837`6.397849848489446}
{_, 0}
data
gammaPol=0.0252313252202016

"Success!"


