change 0.86602540 0.50000000 0.00000000
0.86602540 0.50000000 0.00000000
0.86602540 -0.50000000 0.00000000
to 0.86602540 -0.50000000 0.00000000
0.00000000 0.00000000 1.00000000
0.00000000 0.00000000 10.000000
please make sure that the distance between different unit cell along Z
direction is big enough.
2010/11/9 karim rezouali <[email protected]>
> Dear Zahra,
>
> Try to review the coordinates of the K high symmetry point in the block
> BanddLine
>
> BandLinesScale pi/a # Default Value
> %block BandLines
> 1 1.1547 0.0000 0.0000 \M
> 300 0.0000 0.0000 0.0000 \Gamma
> 300 0.0000 1.3333 0.0000 \K ******************
> 300 1.1547 0.0000 0.0000 \M
> %endblock BandLines
>
>
> BandLinesScale pi/a
> %block BandLines
> 1 1.1547005 0.000 0.000 M
> 35 0.0000000 0.000 0.000 \Gamma
> 35 1.1547005 0.666666667 0.000 K
> 20 1.1547005 0.000 0.000 M
> %endblock BandLines
>
>
