Cell Create


Controls the representation of the cell lattice, which can be: 1) conventional (the lattice is constructed using n1, n2, n3 conventional cells; 2) primitive (the lattice is constructed using n1, n2, n3 primitive cells); 3) wigner (the lattice is constructed using n1, n2, n3 Wigner-Seitz cells); 4) parallelepiped (the lattice is filtered by a generic parallelepiped volume, with length parameters v1, v2, v3 and angle parameters v12, v13, v23); 5) sphere (the lattice is filtered by a sphere with radius v1); 6) projection (the lattice is represented by its stereographic projection).
Example: <cell ... type="conventional"/> (default)
Allowed values: conventional, primitive
wigner, parallelepiped, sphere, 
projection (optional)

n1, n2, n3

Control the number of lattice cells created along the directions defined by the vectors a, b, c, when type is conventional, primitive or wigner. Indicating some or all of these parameters when the cell type does not require them is flagged as an error.
Example: <cell ... n1="1" n2="2" n3="3"/> (default)
Allowed values: positive integer (optional, coupled)

v1, v2, v3, v12, v13, v23

When type is parallelepiped, these six parameters are needed to indicate the edge lengths and angles of the filtering parallelepiped. Each angle must be smaller than the sum of the other two and must be larger than the absolute difference of the other two, otherwise an error is produced.

When type is sphere, the v1 parameter is needed to indicate the radius of the filtering sphere. Setting parameters that are not required for a given cell type is flagged as an error.

Example: <cell ... v1="5.0" v2="6.0" v3="7.0"
v12="60.0" v13="70.0" v23="80.0"/> (no default)
Allowed values: positive real (required)