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BerryPI 1.3.3 (Mar 14, 2016)

S.J. Ahmed, J. Kivinen, B. Zaporzan, L. Curiel, S. Pichardo, O. Rubel, Comp. Phys. Commun. 184, 647 (2013) (Full Text)

• Tutorial 1 - Spontaneous polarization calculation of BaTiO3
• Tutorial 2 - Born Effective Charges of GaAs
• Tutorial 3 - Non-orthogonal lattice vectors (same as Tutorial 2)
• Tutorial 4 - Polarization in wurtzite GaN

The present version is restricted to cases when the lattice vectors correspond to cartesian directions. For example, the zinc-blend or NaCl structures should be regarded as an 8 atom cell instead of the conventional 2 atom basis. This restriction is partly lifted (see - Tutorial 3)

• Non-orthogonal lattice vectors: Extending the capability of “BerryPI” to computing of polarization for structures with non-orthogonal lattice vectors