Loading README.md +5 −0 Original line number Diff line number Diff line # GB_code This python package helps you create orthogonal grain boundary supercells for atomistic calculations. The code is based on the coincident site lattice (CSL) formulations for cubic materials (sc, bcc, fcc, diamond). I inted to extend it to hcp structures soon. # Structure There are two main scripts: Loading
README.md +5 −0 Original line number Diff line number Diff line # GB_code This python package helps you create orthogonal grain boundary supercells for atomistic calculations. The code is based on the coincident site lattice (CSL) formulations for cubic materials (sc, bcc, fcc, diamond). I inted to extend it to hcp structures soon. # Structure There are two main scripts:
