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]=1.4426950408889634
faktor=0.9802581434685472
Generating basis
Basis states generated.
BASIS NR=16
Saving basis to basis.SIAM..QS
PREC=1000
Tmin=1.*^-10
Tmin=1.*^-10 ==> Nmax=67
DISCNMAX=67
mMAX=134
Diagonalisation.
Discretization checksum [-1] (channel 1): \
3.246875104347335874645939544192267024`10.*^-41
BAND="flat" thetaCh={"2."}
Discretization (channel 1)
"xitable" (channel 1)
0.5835698379
0.7767545448
0.9929032831
1.042664113
1.01328741
0.9997886161
0.9983440021
0.9989029187
0.9993985514
0.9996873168
0.9998407918
0.999919693
0.9999596724
0.9999797929
0.9999898856
0.9999949401
0.9999974694
0.9999987345
0.9999993672
0.9999996836
0.9999998418
0.9999999209
0.9999999604
0.9999999802
0.9999999901
0.9999999951
0.9999999975
0.9999999988
0.9999999994
0.9999999997
1.
1.
1.
1.
1.
1.
1.
1.
1.
1.
1.
1.
1.
1.
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-996
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-985
0.e-984
0.e-983
0.e-982
0.e-981
0.e-980
0.e-980
0.e-979
0.e-978
0.e-977
0.e-976
0.e-975
0.e-974
0.e-974
0.e-973
0.e-972
0.e-971
0.e-970
0.e-969
0.e-969
0.e-968
0.e-967
0.e-966
0.e-965
0.e-964
0.e-964
0.e-963
0.e-962
0.e-961
0.e-960
0.e-959
0.e-958
0.e-958
0.e-957
0.e-956
0.e-955
0.e-954
0.e-953
0.e-953
0.e-952
0.e-951
0.e-950
0.e-949
0.e-948
0.e-947
0.e-947
0.e-946
0.e-945
0.e-944
0.e-943
0.e-942
Precision last xi:932.6381920836628
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=, 2.,  BAND=, flat}, 
   {# DISCRETIZATION=, Z,  z=, 0.5}, {# 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):1.4426950408889634
Lowest energies (shifted and scaled):
  {0., 0.017446280791688872, 0.017446280791688872, 0.033288074136909, 
   0.03675381003970872, 0.03675381003970872, 0.03675381003970872, 
   0.05259560338492885, 0.05259560338492885, 0.07004188417661775}
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, 0.012915`4.562639404005304}
{ham, 0.033011`4.192052423695401}
{maketable, 1.145963`6.510715589176872}
{xi, 3.418103`6.985330138966015}
{_, 0}
data
gammaPol=0.0252313252202016

"Success!"


