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ternaus / quest-qmc

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U = 0, mu = 0 bug for the kagome lattice. #37

Closed GoogleCodeExporter closed 9 years ago

GoogleCodeExporter commented 9 years ago 
I do not get rho = 1 for mu = 0 for the Kagome lattice

General Geometry - Free Format                                                 

                          U :            0.000000    0.000000    0.000000
                       t_up :            1.000000   -1.000000
                       t_dn :            1.000000   -1.000000
                      mu_up :            0.000000    0.000000    0.000000
                      mu_dn :            0.000000    0.000000    0.000000
             Time slice - L :           10
            Number of sites :          108
                       dtau :            0.100000
                       beta :            1.000000
     Number of warmup sweep :           10
Number of measurement sweep :           20
   Frequency of measurement :            1
                Random seed :       757222
 Frequency of recomputing G :           15
Global move number of sites :            0
               Accept count :           59
               Reject count :           40
    Approximate accept rate :            0.595960
                      gamma :            0.772349
           Type of matrix B : Dense MatB  
         Type of matrix HSF : discrete
 Sign of equal time measurements:
                   Avg sign :   0.10000000E+01 +-  0.00000000E+00
                Avg up sign :   0.10000000E+01 +-  0.00000000E+00
                Avg dn sign :   0.10000000E+01 +-  0.00000000E+00
============================================================================
 Equal time measurements:
          Up spin occupancy :   0.46997305E+00 +-  0.00000000E+00
        Down spin occupancy :   0.46997305E+00 +-  0.00000000E+00
             <U*N_up*N_dn>  :   0.00000000E+00 +-  0.00000000E+00
             Kinetic energy :  -0.13643275E+01 +-  0.00000000E+00
               Total energy :  -0.13643275E+01 +-  0.00000000E+00
                    Density :   0.93994610E+00 +-  0.00000000E+00
                Chi_thermal :   0.91630601E-01 +-  0.00000000E+00
              Specific heat :   0.62929462E+00 +-  0.00000000E+00
  XX Ferro structure factor :   0.26085890E+00 +-  0.00000000E+00
  ZZ Ferro structure factor :   0.26085890E+00 +-  0.00000000E+00
           Potential energy :   0.00000000E+00 +-  0.00000000E+00
             Hopping energy :  -0.13643275E+01 +-  0.00000000E+00
           Double occupancy :   0.22087467E+00 +-  0.00000000E+00
      Magnetization squared :   0.12454919E+00 +-  0.00000000E+00
============================================================================

Original issue reported on code.google.com by iglovi...@gmail.com on 21 Apr 2014 at 8:44

Attachments:

GoogleCodeExporter commented 9 years ago 
It is not the case for the Lieb lattice. Here everything works well.

For the Lieb lattice everything works well. I think this is serious bug.
----
Lieb lattice output:
 General Geometry - Free Format                                                 

                          U :            0.000000    0.000000    0.000000
                       t_up :            1.000000   -1.000000
                       t_dn :            1.000000   -1.000000
                      mu_up :            0.000000    0.000000    0.000000
                      mu_dn :            0.000000    0.000000    0.000000
             Time slice - L :           10
            Number of sites :          108
                       dtau :            0.100000
                       beta :            1.000000
     Number of warmup sweep :           10
Number of measurement sweep :           20
   Frequency of measurement :            1
                Random seed :       287581
 Frequency of recomputing G :           15
Global move number of sites :            0
               Accept count :           59
               Reject count :           40
    Approximate accept rate :            0.595960
                      gamma :            0.768770
           Type of matrix B : Dense MatB  
         Type of matrix HSF : discrete
 Sign of equal time measurements:
                   Avg sign :   0.10000000E+01 +-  0.00000000E+00
                Avg up sign :   0.10000000E+01 +-  0.00000000E+00
                Avg dn sign :   0.10000000E+01 +-  0.00000000E+00
============================================================================
 Equal time measurements:
          Up spin occupancy :   0.50000000E+00 +-  0.00000000E+00
        Down spin occupancy :   0.50000000E+00 +-  0.00000000E+00
             <U*N_up*N_dn>  :   0.00000000E+00 +-  0.00000000E+00
             Kinetic energy :  -0.97261078E+00 +-  0.00000000E+00
               Total energy :  -0.97261078E+00 +-  0.00000000E+00
                    Density :   0.10000000E+01 +-  0.00000000E+00
                Chi_thermal :  -0.83844043E-12 +-  0.00000000E+00
              Specific heat :   0.49749405E+00 +-  0.00000000E+00
  XX Ferro structure factor :   0.32104523E+00 +-  0.00000000E+00
  ZZ Ferro structure factor :   0.32104523E+00 +-  0.00000000E+00
           Potential energy :   0.00000000E+00 +-  0.00000000E+00
             Hopping energy :  -0.97261078E+00 +-  0.00000000E+00
           Double occupancy :   0.25000000E+00 +-  0.00000000E+00
      Magnetization squared :   0.12500000E+00 +-  0.00000000E+00
     XX AF structure factor :   0.67895477E+00 +-  0.00000000E+00
  Root Mean Square of XX AF :   0.67895477E+00 +-  0.00000000E+00
     ZZ AF structure factor :   0.67895477E+00 +-  0.00000000E+00
  Root Mean Square of ZZ AF :   0.67895477E+00 +-  0.00000000E+00
============================================================================

Original comment by iglovi...@gmail.com on 21 Apr 2014 at 8:48

GoogleCodeExporter commented 9 years ago 
What happens if you try this: number of time slices L=100 and dtau=0.01?

Original comment by ehsankha...@gmail.com on 21 Apr 2014 at 8:48

GoogleCodeExporter commented 9 years ago 
Actually, do we expect rho = 1 for mu = 0 for the frustrated lattice as Kagome?

Original comment by iglovi...@gmail.com on 21 Apr 2014 at 9:02

GoogleCodeExporter commented 9 years ago 
On a triangular lattice, the particle-hole symmetry is always absent. Hence 
setting mu=0 does not give you rho=1. I think Kagome lattice has a similar 
situation.

Original comment by cxc639 on 21 Apr 2014 at 9:10

GoogleCodeExporter commented 9 years ago 
ok. Bug report is closed.

Original comment by iglovi...@gmail.com on 21 Apr 2014 at 9:11