ternaus / quest-qmc

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Bug if lattice is only one unite cell wide. #7

Open GoogleCodeExporter opened 9 years ago

GoogleCodeExporter commented 9 years ago
What steps will reproduce the problem?
1. If I start simulation for the lattice with supervectors (1, N), with 
periodic boundary conditions on the Lieb Lattice. I get error, for example for 
lattice with only one unit cell:

./ggeom L20_mu0_1383583954.3.in 
 Detected Geometry Free Format.
 ================================================================
 Basic real space geometry info

 Crystal atomic basis
  0     0.0000000     0.0000000     0.0000000
  1     0.5000000     0.0000000     0.0000000
  2     0.0000000     0.5000000     0.0000000

 Basis cell vectors
     1.0000000     0.0000000     0.0000000
     0.0000000     1.0000000     0.0000000
     0.0000000     0.0000000  1000.0000000

 Supercell vectors (fractionary unit)
    1    0    0
    0    1    0
    0    0    1

 Super-Lattice vectors (cartesian)
     1.0000000     0.0000000     0.0000000
     0.0000000     1.0000000     0.0000000
     0.0000000     0.0000000  1000.0000000

 ================================================================
 Real space lattice

 Number of orbitals in primitive cell:            3
 Total number of orbitals:                        3
 index  label   type       X           Y         Z   
  0 s0    0       0.00000       0.00000       0.00000
  1 s1    1       0.50000       0.00000       0.00000
  2 s2    2       0.00000       0.50000       0.00000
 ================================================================
 neighbors and hops are incompatible. Bug
 nhop =           4
 nneig =           4

Original issue reported on code.google.com by iglovi...@gmail.com on 4 Nov 2013 at 5:03

Attachments:

GoogleCodeExporter commented 9 years ago
For now, I've commented part of the dqmc_hamilt.f90 that is responsible for the 
check hoppings vs neighbors. 

Original comment by iglovi...@gmail.com on 4 Nov 2013 at 5:32