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Hello,

I'm doing Berry Phase calculations. KPOINTS file is:

K-Spacing Value to Generate K-Mesh: 0.020
0
G
9 3 6
0.0 0.0 0.0

When I run it, I get the following message:

FFT: planning ...
-----------------------------------------------------------------------------
| _ ____ _ _ _____ _ |
| | | | _ \ | | | | / ____| | | |
| | | | |_) | | | | | | | __ | | |
| |_| | _ < | | | | | | |_ | |_| |
| _ | |_) | | |__| | | |__| | _ |
| (_) |____/ \____/ \_____| (_) |
| |
| internal error in: mkpoints_change.F at line: 786 |
| |
| internal error in GENERATE_KPOINTS_TRANS: number of G-vector |
| changed in star 50648 50646 |
| |
| If you are not a developer, you should not encounter this problem. |
| Please submit a bug report. |
| |
-----------------------------------------------------------------------------

If I change KPOINTS to:

K-Spacing Value to Generate K-Mesh: 0.030
0
Gamma
6 2 4
0.0 0.0 0.0

it does work. It seems odd k-points are not working out. Is there a solution?

Thanks.

Hi,

Please provide all the files according to the forum guidelines.

Sorry, forgot about it.

here are the files used.

Hi,

Thank you for reporting this issue to us. Indeed, it does look like a bug.
While we are wokring on fixing it, you can circumvent this bug by running your calculations with a reduced symmetry ISYM=0 or ISYM=-1.