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=0.01 Gamma=0.0006 delta=0.004 t=0.
epsilon=-0.001
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]=1.8204784532536744
faktor=0.9514261508963461
Generating basis
Basis states generated.
BASIS NR=16
Saving basis to basis.SIAM..QS
PREC=1000
Tmin=1.*^-10
Tmin=1.*^-10 ==> Nmax=43
DISCNMAX=43
mMAX=86
Diagonalisation.
Discretization checksum [-1] (channel 1): \
5.35810804428070388463484238237536548`10.*^-42
BAND="flat" thetaCh={"2."}
Discretization (channel 1)
"xitable" (channel 1)
0.5864033565
0.9279380389
1.129441978
1.064600203
1.014701473
1.003606838
1.001090678
1.000353717
1.000116893
1.000038854
1.000012939
1.000004312
1.000001437
1.000000479
1.00000016
1.000000053
1.000000018
1.000000006
1.000000002
1.000000001
1.
1.
1.
1.
1.
1.
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-997
0.e-997
0.e-996
0.e-995
0.e-994
0.e-993
0.e-992
0.e-991
0.e-991
0.e-990
0.e-989
0.e-988
0.e-987
0.e-986
0.e-985
0.e-984
0.e-983
0.e-983
0.e-982
0.e-981
0.e-980
0.e-979
0.e-978
0.e-977
0.e-976
0.e-975
0.e-975
0.e-974
0.e-973
0.e-972
0.e-971
0.e-970
0.e-969
0.e-968
0.e-968
0.e-967
0.e-966
0.e-965
0.e-964
0.e-963
0.e-962
0.e-961
Precision last xi:951.29572502605
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=, 0.004,  t=, 0.}, {#}, 
   {# Gamma^(1/2)=, Sqrt[theta0]/Sqrt[Pi]}, {# Lambda=, 3.,  BAND=, flat}, 
   {# DISCRETIZATION=, Z,  z=, 0.5}, {# ops=, n_d n_d^2 n_d_ud flm hop0}, 
   {#!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={"2."}
theta0Ch={"0.0012"}
gammaPolCh={"0.019544100476116797"}
checkdefinitions[] -> 0.0711764019044672
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[{{-0.6980061605265382, 0.716091753804637}, 
        {0.716091753804637, 0.6980061605265382}}, 
       {{-0.6980061605265382, 0.716091753804637}, 
        {0.716091753804637, 0.6980061605265382}}]] + 
   2*Abs[MyDot[{{-0.6980061605265382, 0.716091753804637}, 
       {0.716091753804637, 0.6980061605265382}}, 
      {{-0.6980061605265382, 0.716091753804637}, 
       {0.716091753804637, 0.6980061605265382}}]]
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[{{0.5302585480406812, -0.7260962446374716, 0.4377329274262445}, 
        {0.7124862838366642, 0.10177568093663794, -0.6942658036476403}, 
        {0.45955322605157406, 0.6800190837713634, 0.5713010398488229}}, 
       {{0.5302585480406812, 0.7124862838366642, 0.45955322605157406}, 
        {-0.7260962446374716, 0.10177568093663794, 0.6800190837713634}, 
        {0.4377329274262445, -0.6942658036476403, 0.5713010398488229}}]] + 
   6*Abs[MyDot[{{0.5302585480406812, -0.7260962446374716, 
        0.4377329274262445}, {0.7124862838366642, 0.10177568093663794, 
        -0.6942658036476403}, {0.45955322605157406, 0.6800190837713634, 
        0.5713010398488229}}, {{0.5302585480406812, 0.7124862838366642, 
        0.45955322605157406}, {-0.7260962446374716, 0.10177568093663794, 
        0.6800190837713634}, {0.4377329274262445, -0.6942658036476403, 
        0.5713010398488229}}]]
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[{{-0.782424977952057, -0.6227448545566019}, 
        {0.6227448545566019, -0.782424977952057}}, 
       {{-0.782424977952057, 0.6227448545566019}, 
        {-0.6227448545566019, -0.782424977952057}}]] + 
   2*Abs[MyDot[{{-0.782424977952057, -0.6227448545566019}, 
       {0.6227448545566019, -0.782424977952057}}, 
      {{-0.782424977952057, 0.6227448545566019}, 
       {-0.6227448545566019, -0.782424977952057}}]]
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):{-0.032847499926561566, -0.015050495221874786, 
   -0.011555469663424706, 0.004, 0.005, 0.008948191354109573, 
   0.013000000000000001, 0.024050495221874784, 0.02855546966342471, 
   0.045899308572451995}
Lowest energies (GS shifted):{0., 0.01779700470468678, 0.02129203026313686, 
   0.03684749992656157, 0.03784749992656156, 0.041795691280671135, 
   0.045847499926561563, 0.05689799514843635, 0.06140296958998628, 
   0.07874680849901355}
Scale factor SCALE(Ninit):1.8204784532536744
Lowest energies (shifted and scaled):
  {0., 0.009776004035026532, 0.011695843048887723, 0.02024055811300891, 
   0.02078986425734296, 0.022958630027161944, 0.0251843134120154, 
   0.03125441833532534, 0.03372902847613659, 0.04325610575520533}
ireducTable: f[0]
Loading module operators.m
"operators.m $Id: operators.m 877 2009-12-16 16:34:11Z zitko $"
n_d op.SIAM..QS.n_d nc[d[0, 0], d[1, 0]] + nc[d[0, 1], d[1, 1]]
n_d_ud op.SIAM..QS.n_d_ud -nc[d[0, 0], d[0, 1], d[1, 0], d[1, 1]]
flm op.SIAM..QS.flm nc[d[0, 0], d[1, 0]] + nc[d[0, 1], d[1, 1]] + 
   2*nc[d[0, 0], d[0, 1], d[1, 0], d[1, 1]]
n_d^2 op.SIAM..QS.n_d^2 nc[d[0, 0], d[1, 0]] + nc[d[0, 1], d[1, 1]] - 
   2*nc[d[0, 0], d[0, 1], d[1, 0], d[1, 1]]
hop0 op.SIAM..QS.hop0 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]]
$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, 0.014567`4.614915113721855}
{ham, 0.04078399999999999999999999999999999999`4.283883561237522}
{maketable, 0.526369`6.172835297495906}
{xi, 2.182437`6.790486709357079}
{_, 0}
data
gammaPol=0.019544100476116797
"Success!"
