Lattices (erlab.lattice)

Tools related to the real and reciprocal lattice.

Functions

angle_between(v1, v2)	Return the angle between two vectors.
abc2avec(a, b, c, alpha, beta, gamma)	Construct lattice vectors from lattice parameters.
avec2abc(avec)	Determine lattice parameters from lattice vectors.
to_reciprocal(avec)	Construct the reciprocal lattice vectors from real lattice vectors.
to_real(bvec)	Construct the real lattice vectors from reciprocal lattice vectors.

erlab.lattice.abc2avec(a, b, c, alpha, beta, gamma)

Construct lattice vectors from lattice parameters.

erlab.lattice.angle_between(v1, v2)

Return the angle between two vectors.

Parameters:

• v1 (ndarray[Any, dtype[float64]]) – 1D array of length 3, specifying a vector.

• v2 (ndarray[Any, dtype[float64]]) – 1D array of length 3, specifying a vector.

Returns:

The angle in degrees.

Return type:

float

erlab.lattice.avec2abc(avec)

Determine lattice parameters from lattice vectors.

erlab.lattice.to_real(bvec)

Construct the real lattice vectors from reciprocal lattice vectors.

Parameters:

bvec (ndarray[Any, dtype[float64]]) – Reciprocal lattice vectors, given as a 3 by 3 numpy array with each basis vector given in each row.

Returns:

The real lattice vectors.

Return type:

avec

erlab.lattice.to_reciprocal(avec)

Construct the reciprocal lattice vectors from real lattice vectors.

Parameters:

avec (ndarray[Any, dtype[float64]]) – Real lattice vectors, given as a 3 by 3 numpy array with each basis vector given in each row.

Returns:

The reciprocal lattice vectors.

Return type:

bvec