sw_cff

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.

See Also

sw_mff