[Wannier] problem about "kmesh_get_bvector: Not enough bvectors found"

[Yun Yang]

Dear Jonathan,

Thank you for your reply. According to your reply, I decrease the *kmesh_tol
* to *0.0000001*. I get the *amn and *mmn files successfully, but it get
following error information when I run *wannier90* command again.

I use W90 to get the wannier centres for calculating the polarizations. When
I use *kmesh_tol*=*0.00001*, the polarization from wannier centres is
different with that from bloch wave. For other structures where I do not set
*kmesh_tol**,* the* *polarizations from the two methods are quit similar. So
I conclude that the inconsistency may come from the *kmesh_tol*=*0.00001.

*Your reply will be highly grateful.

Best Wishes,
Yun Yang


-------------------------------------------------------------------------------output
----------------------------------------------------------------------------

 +----------------------------------------------------------------------------+
 |                    Distance to Nearest-Neighbour
Shells                    |
 |
------------------------------------                    |
 |          Shell             Distance (Ang^-1)
Multiplicity         |
 |          -----             -----------------
------------         |
 |             1                   0.269302
2            |
 |             2                   0.378480
2            |
 |             3                   0.378481
2            |
 |             4                   0.464056
2            |
 |             5                   0.464511
2            |
 |             6                   0.464511
2            |
 |             7                   0.464967
2            |
 |             8                   0.535252
4            |
 |             9                   0.538604
2            |
 |            10                   0.598828
2            |
 |            11                   0.598828
2            |
 |            12                   0.599534
2            |
 +----------------------------------------------------------------------------+
 | The b-vectors are chosen
automatically                                     |
 | Shell:  1 w_b    6.8943049
(Ang^2)                                    |
 | Shell:  1 w_b    6.8943049
(Ang^2)                                    |
 | Shell:  2 w_b    3.4904771
(Ang^2)                                    |
 | Shell:  1 w_b    6.8942752
(Ang^2)                                    |
 | Shell:  2 w_b    3.4904771
(Ang^2)                                    |
 | Shell:  3 w_b    3.4904621
(Ang^2)                                    |
 | Shell:  1 w_b    6.8841570
(Ang^2)                                    |
 | Shell:  2 w_b    3.4904771
(Ang^2)                                    |
 | Shell:  3 w_b    3.4802995
(Ang^2)                                    |
 | Shell:  4 w_b    0.0101775
(Ang^2)                                    |
 | Shell:  1 w_b    6.8841550
(Ang^2)                                    |
 | Shell:  2 w_b    3.4904750
(Ang^2)                                    |
 | Shell:  3 w_b    3.4802995
(Ang^2)                                    |
 | Shell:  4 w_b    0.0101775
(Ang^2)                                    |
 | Shell:  5 w_b    0.0000021
(Ang^2)                                    |
 | The following shells are used:   1,  2,  3,  4,
5                         |
 +----------------------------------------------------------------------------+
 |                        Shell   #
Nearest-Neighbours                        |
 |                        -----
--------------------                        |
 |                          1
2                                 |
 |                          2
2                                 |
 |                          3
2                                 |
 |                          4
2                                 |
 |                          5
2                                 |
 +----------------------------------------------------------------------------+
   0.143247  0.143248
 Exiting.......
 Non-symmetric k-point neighbours!
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