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The definition of the transformation matrix should be stated somewhere. It is different for row and column lattice matrices, here we use the column lattice matrix convention so
$$M c = C$$
Where c and C are matrices made of column lattice vectors.
This means for row vector matrices we have:
$$c^TM^T = C^T$$
Note: both ase and pymatgen stores the lattice as row vectors.
The text was updated successfully, but these errors were encountered:
The definition of the transformation matrix should be stated somewhere. It is different for row and column lattice matrices, here we use the column lattice matrix convention so
Where c and C are matrices made of column lattice vectors.
This means for row vector matrices we have:
Note: both
ase
andpymatgen
stores the lattice as row vectors.The text was updated successfully, but these errors were encountered: