Python SuperCell

The SuperCell object handles settings of a unit cell. Only the lattice vectors and their corresponding super cell is contained in this object.

The super cell can be understood as a unit cell object with attached auxilliary information about its super cell range.

Creating a super cell

Super cells are created simply by passing either of 3 cell options:

1. Pass a cell 3x3 matrix where cell[i,:] are the _i_th lattice vector.
2. Pass a cell vector of length 3 which corresponds to a diagonal Cartesian unit cell with the diagonal elements.
3. Pass a cell vector of length 6 which corresponds to a skewed unit cell with a, b, c, \alpha, \beta, \gamma as commonly defined.