Functions in swfiles#

This folder contains all the spectral functions and general functions that are related to SpinW.

Files#

Transforming and plotting calculated spin wave spectrum#

These functions operate on the calculated spectra, which is the output of spinw.spinwave or spinw.powspec commands. They enable to post process the calculated spin-spin correlation function, including instrumental resolution, cross section calculation, binning etc.

  • sw_econtract converts (Q,E) values to Q values for diffraction instrument

  • sw_egrid calculates energy bins of a spectrum

  • sw_filelist lists spinw objects in the Matlab workspace or in a .mat file

  • sw_instrument convolutes spectrum with resolution function

  • sw_magdomain calculates the spin-spin correlation function for magnetic domains

  • sw_neutron calculates neutron scattering cross section

  • sw_omegasum removes degenerate and ghost magnon modes from spectrum

  • sw_plotspec plots spectrum

  • sw_xray calculates x-ray scattering cross section

Generate list of vectors in reciprocal space#

These two functions can generate a set of 3D points in reciprocal space defining either a path made out of straigh lines or a volume.

  • sw_qgrid creates a Q grid

  • sw_qscan creates continuous line between coordinates

Resolution claculation and convolution#

These functions can import Energy resolution function and convolute it with arbitrary multidimensional dataset

  • sw_res fits energy resolution with polynomial

  • sw_resconv convolution of a matrix and a Gaussian

  • sw_tofres convolutes the spectrum with a Q bin

Constraint functions#

Contraint functions for spinw.optmagstr.

  • gm_planar planar magnetic structure constraint function

  • gm_planard planar magnetic structure constraint function

  • gm_spherical3d magnetic structure constraint function with spherical parameterisation

  • gm_spherical3dd magnetic structure constraint function with spherical parameterisation

Geometrical calculations#

Basic geometrical calculators, functions to generatate rotation operators, generate Cartesian coordinate system from a set of vectors, calculate normal vector to a set of vector, etc.

  • sw_basismat determines allowed tensor components in a given point group symmetry

  • sw_cartesian creates a right handed Cartesian coordinate system

  • sw_fsub simple graph vertex coloring

  • sw_mattype classifies square matrices

  • sw_nvect determines the best normal vector for the set of vectors sw_quadell

  • sw_mirror mirrors a 3D vector

  • sw_rot rotates vectors in 3D

  • sw_rotmat generates 3D rotation matrix

  • sw_rotmatd generates 3D rotation matrix

Text and graphical input/output for different high level commands#

Acessing the SpinW database#

Functions to read the different data files that store information on atomic properties, such as magnetic form factor, charge, etc.

  • sw_atomdata returns information on chemical elements

  • sw_cff returns the atomic charge form factor values for X-ray scattering

  • sw_mff returns the magnetic form factor values and coefficients

  • sw_nb returns the bound coherent neutron scattering length

Useful physics functions#

The two functions can calculate the Bose factor and convert energy/momentum units, both usefull for neutron and x-ray scattering.

  • sw_bose coefficient for boson correlation functions

  • sw_converter converts energy and momentum units for a given particle

Import functions#

Functions to import tables in text format.

  • sw_import create SpinW object from .cif and FullProf Studio .fst files

  • sw_readspec read spin wave dispersion data from file

  • sw_readtable reads tabular data from text

Miscellaneous#