[Wien] hf error -monolayer

[fabien.tran at vasp.at]

And since you used the -redklist option, the files case.klist_fbz, 
case.klist_ibz, case.kgen_ibz and case.outputkgenhf should also be 
present. Is it the case?

As Peter mentioned, check if case.inhf is ok. In particular, the number 
of bands "nbands" needs to be set large enough (see Sec. 7.7.2 in the 
UG).

On 21.06.2023 22:50, Brik Hamida wrote:
> Dear Fabien
> 
> Thank you for your reply.
> Indeed the two files are generared.
> I executed run_kgenhf_lapw -hf  -redklist with  :  k-mesh (eg. 4x4x4)
> and commensurate reduced k-mesh (eg. 2x2x2).
> 
> case.klist :
>          1         0         0         0         4  1.0 -7.0  1.5
>    0 k, div: (  4  4  4)
>          2         0         0         1         4  2.0
>          3         0         0         2         4  1.0
>          4         0         1         0         4  6.0
>          5         0         1         1         4 12.0
>          6         0         1         2         4  6.0
>          7         0         2         0         4  3.0
>          8         0         2         1         4  6.0
>          9         0         2         2         4  3.0
>         10         1         1         0         4  6.0
>         11         1         1         1         4 12.0
>         12         1         1         2         4  6.0
> END
> 
> case.kgen:
>         12        72  2.604166666667E-03       101         1
>          4         1         2         4         4         4
>          1         2         4         5         4         1
>          2         5         5         8         1         4
>          4         5         4         1         4         5
>          5         4         2         3         5         5
>          4         2         3         5         6         4
>          2         3         6         6         4         2
>          4         4         5         8         2         4
>          5         5         8         2         5         5
>          6         4         2         5         6         6
>          4         3         5         5         6         8
>          3         5         6         6         8         4
>          4         5        10         4         4         4
>          5        11         4         4         4        10
>         11         4         4         5         5        10
>          8         4         5         5        11         8
>          4         5         7        10         4         4
>          5         7        11         4         4         5
>          8        10         8         4         5         8
>         11         4         4         5        10        11
>          8         4         7         8        10         4
>          4         7         8        11         8         4
>          7        10        11         4         4         8
>         10        11         8         5         5         6
>         11         4         5         5         6        12
>          4         5         5        10        11         4
>          5         5        11        12         4         5
>          6         6        11         8         5         6
>          6        12         8         5         6         8
>         11         4         5         6         8        12
>          4         5         6         9        11         8
>          5         6         9        12         4         5
>          6        11        12         4         5         7
>          8        10         8         5         7         8
>         11         4         5         7        10        11
>          8         5         8         9        11         4
>          5         8         9        12         8         5
>          8        10        11         8         5         8
>         11        12         4         5         9        11
>         12         4         6         6        11        12
>          4         6         8         9        11         8
>          6         8         9        12         4         6
>          8        11        12         8         6         9
>         11        12         4         7         8        10
>         10         4         7         8        10        11
>          4         7         8        11        11         8
>          7        10        10        11         4         7
>         10        11        11         4         8         9
>         11        11         4         8         9        11
>         12         4         8         9        12        12
>          4         8        10        10        11         8
>          8        10        11        11         8         8
>         11        11        12         4         8        11
>         12        12         4         9        11        11
>         12         8         9        11        12        12
>          4        10        10        10        11         4
>         10        10        11        11         4        10
>         11        11        11         4        11        11
>         11        12         4        11        11        12
>         12         4        11        12        12        12
>          0         0         0         0         0         0
>          0         0         0         0         0         0
>          0         0         0         0         0         0
>          0         0         0         0         0         0
>          0         0         0         0         0         0
>          0         0         0         0         0         0
>          0         0         0         0         0         0
>          0         0         0         0         0         0
>          0         0         0         0         0         0
>          0         0         0         0         0         0
>          0         0         0         0         0         0
>          0         0         0         0         0         0
>          0         0         0         0         0         0
>          0         0         0         0         0         0
>          0         0         0         0         0         0
>          0         0         0         0         0         0
>          0         0         0         0         0         0
>          0         0         0         0         0         0
>          0         0         0         0         0         0
>          0         0         0         0         0         0
>          0         0         0         0         0         0
>          0         0         0         0         0         0
>          0         0         0         0         0         0
>          0         0         0         0         0         0
>          0