Lattice vectors for rhombohedral cell of BiFeO3
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Lattice vectors for rhombohedral cell of BiFeO3
Hi vasp users,
How to calculate the primitive lattice vectors for rhombohedral unit cell for the POSCAR file with the lattice constant of 5.63 and the wyckoff positions are Bi(2a) is 0, Fe(2a) is 0.221 and O(6b) is 0.538, 0.933, 0.395. Kindly help me.
Since I am beginner to vasp kindly answer me if anyone knows........
Thanking you,
How to calculate the primitive lattice vectors for rhombohedral unit cell for the POSCAR file with the lattice constant of 5.63 and the wyckoff positions are Bi(2a) is 0, Fe(2a) is 0.221 and O(6b) is 0.538, 0.933, 0.395. Kindly help me.
Since I am beginner to vasp kindly answer me if anyone knows........
Thanking you,
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- Global Moderator
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- Joined: Mon Nov 18, 2019 11:00 am
Re: Lattice vectors for rhombohedral cell of BiFeO3
Hi,
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