Syntax

[formfactval, coeff] = sw_cff(atomname, {q})

Description

[formfactval, coeff] = sw_cff(atomname, {q}) returns the atomic charge form factors for x-ray scattering. The provided form factor values at Q=0 are normalized to Z.

Input Arguments

atomName
String, contains the name of the ion in using the symbol of the element following the charge, e.g. 'Cr3+'. It can be also the coefficients to calculate f. If the string contains whitespace, the first word will be used as input.
Q
Momentum transfer in Å$$^{-1}$$ units in a matrix with dimensions of $$[1\times n_Q]$$ or $$[3\times n_Q]$$, optional.

Output Arguments

formFactVal
Value of form factor, evaluated at the $$Q$$ points if $$Q$$ is defined.
coeff
Form factor coefficients according to the following formula: $$f_0(Q_s) = c + \sum_{i=1}^5 a_i\cdot \exp(-b_i Q_s^2)$$, where $$Q_s = \frac{Q}{4*\pi}$$ and $$[a_1, b_1, a_2, b_2, ... c]$$ are the coefficients.