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

[Yun Yang]

Dear all,

I get an error when I run W90 on some structures. The error information is
as follows

*kmesh_get_bvector: Not enough bvectors found*.

I had tested different values of *sheel_list* or enable it absent in
seednmae.win file, but same error was occurred.
Also, I had tried the *kmesh_tol=0.00001, *W90 can run without error. But
the results are not accurate for me.

Can you give me some suggestions how to fix it?

The relevant portion of input/output is below.

Thanks a lot,
Yun Yang


--------------------------------input----------------------------------
num_wann=91
num_bands=96

write_xyz = T
use_bloch_phases = false
iprint= 3
!kmesh_tol=0.00001

search_shells=16
shell_list : 1,2,3,4,5,6

dis_win_max       = 6.16d0
dis_froz_max      = 6.16d0
dis_num_iter      =  200
dis_conv_tol     = 1.0d-9
dis_conv_window  = 20

num_iter         =  1000
num_dump_cycles  =  10
num_print_cycles =  10
conv_tol         = 1.0d-9
conv_window      = 20

begin unit_cell_cart
     5.5337045     0.0000000     0.0000000
     0.0000000     5.5337045     0.0000000
    -0.0000033    -0.0161352     7.7771202
end unit_cell_cart

mp_grid =     3     3     3

*...........


---------------------------------------------*
output-------------------------------------------------------
 |   Hamiltonian from external files          :                 F
|
 |   System extended in                       :              none
|

*----------------------------------------------------------------------------*
 Time to read parameters        0.002 (sec)

 *---------------------------------- K-MESH
----------------------------------*

+----------------------------------------------------------------------------+
 |                    Distance to Nearest-Neighbour Shells
|
 |                    ------------------------------------
|
 |          Shell             Distance (Ang^-1)          Multiplicity
|
 |          -----             -----------------          ------------
|
 |             1                   0.269302                      2
|
 |             2                   0.378480                      4
|
 |             3                   0.464056                      2
|
 |             4                   0.464511                      4
|
 |             5                   0.464967                      2
|
 |             6                   0.535252                      4
|
 |             7                   0.538604                      2
|
 |             8                   0.598828                      4
|
 |             9                   0.599534                      4
|
 |            10                   0.657644                      2
|
 |            11                   0.658287                      4
|
 |            12                   0.658929                      2
|
 |            13                   0.756959                      2
|
 |            14                   0.756961                      2
|
 |            15                   0.758777                      4
|
 |            16                   0.759891                      4
|

+----------------------------------------------------------------------------+
 | The b-vectors are set in the win file
|
 Exiting.......
 kmesh_get_bvector: Not enough bvectors found
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