[Wannier] Exiting....... kmesh_get_automatic

[Zafer Kandemir]

Thank you for replying Sir.
I increased the value of the search_shells.
When I get kmesh_tol=1.d-4 and search_shells=500:

 *---------------------------------- K-MESH
----------------------------------*
 +----------------------------------------------------------------------------+
 |                    Distance to Nearest-Neighbour Shells
   |
 |                    ------------------------------------
   |
 |          Shell             Distance (Ang^-1)          Multiplicity
  |
 |          -----             -----------------          ------------
  |
 |             1                   0.009747                      1
   |
 |             2                   0.019494                      1
   |
 |             3                   0.021103                      1
   |
....
 |           500                   0.742047                      2
   |
 +----------------------------------------------------------------------------+
 | The b-vectors are chosen automatically
  |
 Exiting.......
 kmesh_get_bvector: Not enough bvectors found

When I get kmesh_tol=1.d-9 and search_shells=5000:
 *---------------------------------- K-MESH
----------------------------------*
 +----------------------------------------------------------------------------+
 |                    Distance to Nearest-Neighbour Shells
   |
 |                    ------------------------------------
   |
 |          Shell             Distance (Ang^-1)          Multiplicity
  |
 |          -----             -----------------          ------------
  |
 |             1                   0.009747                      1
   |
 |             2                   0.019494                      1
   |
 |           ***                   2.228082                      2
   |
....
 +----------------------------------------------------------------------------+
 | The b-vectors are chosen automatically
  |
 | SVD found small singular value, Rejecting this shell and trying the next
  |
 | The following shells are used:   1,  3, 33,***
  |
 +----------------------------------------------------------------------------+
 |                        Shell   # Nearest-Neighbours
   |
 |                        -----   --------------------
   |
 |                          1               1
  |
 |                          3               1
  |
 |                         33               4
  |
 |                        ***               1
  |
 +----------------------------------------------------------------------------+
   0.000445  0.030384
 Exiting.......
 Non-symmetric k-point neighbours!

How to solve this problem.

Best regards

--
Zafer Kandemir
Postdoctoral Researcher - Theoretical Physicist
Mechanical Engineering Department
Eskisehir Technical University
26555 Tepebasi-ESKISEHIR/TURKEY
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