"Problem with symmetry in k-space"

To check the geometry file I compare QUEST output with exact diagonalization.

Exact diagonalization is limited by small number of sites.

But! I get error message.
-------------
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)
    2    0    0
    0    1    0
    0    0    1

 Super-Lattice vectors (cartesian)
     2.0000000     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:                        6
 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
  3 s0    0       1.00000       0.00000       0.00000
  4 s1    1       1.50000       0.00000       0.00000
  5 s2    2       1.00000       0.50000       0.00000
 ================================================================
Problem with symmetry in k-space
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Geometry and input files attached.

Original issue reported on code.google.com by iglovi...@gmail.com on 13 Apr 2014 at 9:19

Attachments:

ternaus / quest-qmc

"Problem with symmetry in k-space" #35