- #1
rbwang1225
- 118
- 0
I have a lattice plane in 3 dimensional space.
Now, I want to cut it in a unit cell, but I have to write some code the make things get easier.
As you can see from my figure, I can know the four coordinates of the highlighted atoms which form the boundaries of the top plane.
My problem is if the four coordinates are known, how could I eliminate the atoms outside the boundary, or how could I know the limitations of the coordinates ##(x_i,y_i,z_i)## of atoms inside the boundary.
My idea is to use their slopes between each pair of highlighted atoms.
Any advices would be very appreciated!
Now, I want to cut it in a unit cell, but I have to write some code the make things get easier.
As you can see from my figure, I can know the four coordinates of the highlighted atoms which form the boundaries of the top plane.
My problem is if the four coordinates are known, how could I eliminate the atoms outside the boundary, or how could I know the limitations of the coordinates ##(x_i,y_i,z_i)## of atoms inside the boundary.
My idea is to use their slopes between each pair of highlighted atoms.
Any advices would be very appreciated!