8.3. Stacking fault tetrahedron
To create a stacking fault tetrahedron,
Step 1:
Use the tool in subdirectory tools/Fcc to creat an FCC single crystal sample:
fcc_reg.lmp;
Step 2:
Open terminal, run the following command:
1CryDisGen para_file fcc_reg.lmp
Parameter file
Content of the para_file:
1#those started with '#' are comment lines
2#crystal region
3Region
4-x 1 -1 0 # lattice orientation in x-direction
5-y 1 1 0 # lattice orientation in y-direction
6-z 0 0 1 # lattice orientation in z-direction
7-lat 3.615 # lattice constant
8-pbc 1 1 1 # boundary condition flag: '1': pbc, '0': non-pbc
9
10nTetrahedron 1 # number of stacking fault tetrahedron
11Tetrahedron # label of tetrahedron
12-tc -0. 0. 0. # center of the bottom face of tetrahedron
13-tr 40 # radius of the circumscribe circle of the bottom face
14-tnorm -1 -1 -1 # outward nomral direction bottom face of tetrahedron
15-lxt 1 -1 0 # local x axis on the bottom face
16-lyt -1 -1 2 # local y axis on the bottom face