FCC Ni

Let’s take Ni Σ7[111]/(1 -3 2) tilt grain boundary as an example. The initial structure is an FCC lattice structure. Enter 111 for the Rotation axis, 7 for the Σ, and 1 -3 0 for the GB plane, and upload an initial structure. Remember to add the space between the integers in 1 -3 0. The default output formate is poscar for VASP calculations.

../_images/Ni_fig1.png

Then click Build, you will see the following page. You can either copy & past the output or directly Download the file.

../_images/Ni_fig2.png