wulfric.lepage

wulfric.lepage(a=1, b=1, c=1, alpha=90, beta=90, gamma=90, eps_rel=0.0001, verbose=False, very_verbose=False, give_all_results=False, delta_max=0.01)

Le Page algorithm [1].

Parameters:

afloat, default 1

Length of the \(\boldsymbol{a_1}\) vector.

bfloat, default 1

Length of the \(\boldsymbol{a_2}\) vector.

cfloat, default 1

Length of the \(\boldsymbol{a_3}\) vector.

alphafloat, default 90

Angle between vectors \(\boldsymbol{a_2}\) and \(\boldsymbol{a_3}\). In degrees.

betafloat, default 90

Angle between vectors \(\boldsymbol{a_1}\) and \(\boldsymbol{a_3}\). In degrees.

gammafloat, default 90

Angle between vectors \(\boldsymbol{a_1}\) and \(\boldsymbol{a_2}\). In degrees.

eps_relfloat, default 1e-4

Relative epsilon.

verbosebool, default False

Whether to print the steps of an algorithm.

very_verbosebool, default False

Whether to print the detailed steps of an algorithm.

give_all_resultsbool, default False

Whether to give the whole list of consecutive results.

delta_maxfloat, default 0.01

Maximum angle tolerance, in degrees.

Returns:

resultstr

Bravais lattice type. If give_all_results == True, then return list of all consecutive results.

References

[1]

Le Page, Y., 1982. The derivation of the axes of the conventional unit cell from the dimensions of the Buerger-reduced cell. Journal of Applied Crystallography, 15(3), pp.255-259.