Class Lattice

Class Lattice#

class py_alf.Lattice(*args, force_python_init=False)#

Finite size Bravais lattice object.

Parameters:

*argsdict, tuple, or list

if dict: {‘L1’: L1, ‘L2’: L2, ‘a1’: a1, ‘a2’: a2}.

if tuple or list: [L1, L2, a1, a2].

L1, L2: 2d vector defining periodic boundary conditions.

a1, a2: 2d primitive vectors.

force_python_initbool, default=False

Force the usage of Python version of the initialization. Default behaviour is to first try compiled Fortran and fall back to Python if that fails.

fourier_K_to_R(X)#

Fourier transform from k to r space.

Last index of input has to run over all lattice points in k space.

Last index of output runs over all lattice points in r space.

fourier_R_to_K(X)#

Fourier transform from r to k space.

Last index of input has to run over all lattice points in r space.

Last index of output runs over all lattice points in k space.

k_to_n(k)#: Map vector in k space to integer running over all lattice points.

periodic_boundary_k(k)#: Apply periodic boundary conditions on vector in k space.

periodic_boundary_r(r)#: Apply periodic boundary conditions on vector in r space.

plot_k(data)#

Plot data in k space.

Parameters:

plot_r(data)#

Plot data in r space.

Parameters:

r_to_n(r)#: Map vector in r space to integer running over all lattice points.

rotate(n, theta)#

Rotate vector in k space.

Parameters:

Returns:

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