About output file for MD simualtion #1039
Asif-Iqbal-Bhatti
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Dear Romain,
I find your code useful for creating grain boundaries for pure and complex materials. Is there a way to read POSCAR/LAMMPS unitcell file (VASP DFT or LAMMPS) and create a model for grain boundaries with different orientations in a supercell (different sigma, rotation axis, and planes), and then using LAMMPS, we can run with LAMMPS at larger scales.
Regards,
Asif
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