On 16 Apr 2016 20:57, "Mostafa Shabani"
wrote:
>
> Dear siesta users
>
> For 20 atoms in unit cell we want to constrain all atoms moves in all
directions except for atoms number 11 and 16 that are fixes just in x and y
directions and are free to move in z direction.
>
> W use this block GeometryCo
Dear siesta users
For 20 atoms in unit cell we want to constrain all atoms moves in all
directions except for atoms number 11 and 16 that are fixes just in x and y
directions and are free to move in z direction.
W use this block GeometryConstraints in fdf input file
%block GeometryConstraints
