radtools.MCLC_variation

radtools.MCLC_variation(conv_a: float, conv_b: float, conv_c: float, conv_alpha: float, k_gamma: float, eps: float)

Five variation of the MCLC lattice.

Ordering \(a \le c\) and \(b \le c\) and \(\alpha < 90^{\circ}\) is assumed.

\(\text{MCLC}_1: k_{\gamma} > 90^{\circ}\), \(\text{MCLC}_2: k_{\gamma} = 90^{\circ}\), \(\text{MCLC}_3: k_{\gamma} < 90^{\circ}, \dfrac{b\cos(\alpha)}{c} + \dfrac{b^2\sin(\alpha)^2}{a^2} < 1\) \(\text{MCLC}_4: k_{\gamma} < 90^{\circ}, \dfrac{b\cos(\alpha)}{c} + \dfrac{b^2\sin(\alpha)^2}{a^2} = 1\) \(\text{MCLC}_5: k_{\gamma} < 90^{\circ}, \dfrac{b\cos(\alpha)}{c} + \dfrac{b^2\sin(\alpha)^2}{a^2} > 1\)

Parameters:

conv_afloat

Length of the \(a_1\) vector of the conventional cell.

conv_bfloat

Length of the \(a_2\) vector of the conventional cell.

conv_cfloat

Length of the \(a_3\) vector of the conventional cell.

conv_alphafloat

Angle between vectors \(a_2\) and \(a_3\) of the conventional cell. In degrees.

k_gammafloat

Angle between reciprocal vectors \(b_1\) and \(b_2\). In degrees.

epsfloat

Tolerance for numerical comparison.

Returns:

variationstr

Variation of the lattice. Either "MCLC1", "MCLC2", "MCLC3", "MCLC4" or "MCLC5".

Raises:

ValueError

If \(\alpha > 90^{\circ}\) or \(a > c\) or \(b > c\) with given tolerance eps.