Internal S(q,w) Models

Internal S(q,w) models include the following:

Elastic Model

The elastic S(q,w) model consists of a list of elastic peaks which are used to simulate Bragg tails. Each line defines a peak, with the columns of each line being: h, k, l, q width, E width, and S.

Here's a sample input file defining three Bragg peaks:

		1 0 0    0.002 0.01    0.5
		1 1 0    0.002 0.01    1
		2 2 0    0.002 0.01    5
		

Tabulated Model

This model loads a table of S(Q,w) points in the four-dimensional (Q,E) space and constructs a kd-tree out of it. As with the "elastic model" each line defines one point. The columns are h, k, l, E, and S.

Here's a (very unrealistic) sample input file defining three points. A realistic input file would include tens of thousands of points to cover a fine and large enough grid in (Q,E) space.

		1 0 0    0    1
		1 0 0  0.5    0.5
		1 0 0 -0.5    0.5
		

Simple Phonon Model

With the simple phonon model sinusoidal phonon branches can be defined around a given Bragg peak.

In the following input file we define a longitudinal [110] and two transverse ([001] and [1-10]) branches around the (440) peak:

		G               = 4,  4, 0
		TA1             = 0,  0, 1
		TA2             = 1, -1, 0

		LA_amp          = 25
		LA_freq         = 0.5*pi/sqrt(2)
		LA_E_HWHM       = 0.1
		LA_q_HWHM       = 0.05
		LA_S0           = 1

		TA1_amp         = 15
		TA1_freq        = 0.5*pi
		TA1_E_HWHM      = 0.2
		TA1_q_HWHM      = 0.025
		TA1_S0          = 1

		TA2_amp         = 10
		TA2_freq        = 0.5*pi/sqrt(2)
		TA2_E_HWHM      = 0.2
		TA2_q_HWHM      = 0.025
		TA2_S0          = 1
		

Simple Magnon Model

The simple magnon model creates quadratic (ferromagnetic) or linear (antiferromagnetic) branches spherically around a given Bragg peak.

In the following input file we define magnons with a stiffness of D=20 around the (110) peak:

		disp            = 0
		G               = 1,  1, 0

		D               = 20
		offs            = 0.
		E_HWHM          = 0.05
		q_HWHM          = 0.05
		S0              = 1

		num_points      = 50