iFunc_Sqw4D [from iFunc]
  iFunc_Sqw4D: create an iFunc_Sqw4D from e.g. an iFunc 4D object
 
  The iFunc_Sqw4D class is a 4D model holding a S(q,w) dynamic structure factor.
  The axes are QH,QK,QL [e.g rlu] and Energy [e.g. meV].
 
  Example: s=sqw_cubic_monoatomic
 
  As the estimate of a 4D S(q,w) model may be computationally intensive, most 
  methods below evaluate the model, and then derive a quantity as a Data set 
  (e.g. iData)
 
  Useful methods for this iFunc flavour:
 
  methods(iFunc_Sqw4D)
    all iFunc methods can be used.
  iFunc_Sqw4D(a)
    convert a 4D model [a=iFunc class] into an iFunc_Sqw4D to give access to
    the methods below.
  plot(a)
    plot the band structure and density of states
  plot3(a)
    plot the S(q,w) dispersion in the QH=0 plane in 3D
  scatter3(a)
    plot the S(q,w) dispersion in the QH=0 plane in 3D as coloured points
  slice(a)
    Slice and isosurface volume exploration of the S(q,w) dispersion in the QH=0 plane
  b = band_structure(a)
    Compute the band structure
  d = dos(a)
    Compute the density of states
  m = max(a)
    Evaluate the maximum S(q,w) dispersion energy
  powder(a)
    Compute the powder average of the 4D S(q,w) dispersion
  publish(a)
    Generate a readable document with all results
  t = thermochemistry(a)
    Compute and display thermochemistry quantities
 
  syntax:
    sqw4d = iFunc_Sqw4D(a)
  input:
    a: can be an iFunc or struct or any set of parameters to generate a Sqw4D object.
    when not given an iFunc, the parameters to sqw_phonons are expected.
 
  output: an iFunc_Sqw4D object
See also
sqw_phonons, sqw_cubic_monoatomic, iFunc iFunc_Sqw2D iFunc_McCode
Class Details
Superclasses iFunc
Sealed false
Construct on load false
Constructor Summary
iFunc_Sqw4D : create an iFunc_Sqw4D from e.g. an iFunc 4D object 
Property Summary
Constraint Restraints/constraints to evaluate before computing the Expression, can be: a function_handle, a char/cellstr, a vector (length p), a structure with fields: min, max, fixed 
Date Creation date 
Description Description (long) 
Dimension Model dimensionality (1,2,3,4...) 0=scalar=empty. a negative dimension is used to indicate a variable dimensionality. 
Duration Time spent for the evaluation 
Eval Code to evaluate for the model value 
Expression Expression to evaluate to get the function value, char or function_handle(p, x,y, ...) 
Guess Default parameter set or expression or function handle, char or function_handle(x,y,..., signal, Parameters{}) or 'automatic' 
Name Model Name (short) 
ParameterValues Current parameter values 
Parameters Function parameters, a cellstr or words or a single string of words separated by spaces, or a structure with parameter values 
Tag Unique ID 
UserData User data storage area 
class Class of the object, e.g iFunc or other derived class 
Method Summary
  abs b = abs(s) : absolute value of iFunc object 
  acos b = acos(s) : computes the arc cosine of iFunc object 
  acosh b = acosh(s) : computes the inverse hyperbolic cosine of iFunc object 
  asin b = asin(s) : computes the arc sine of iFunc object 
  asinh b = asinh(s) : computes the inverse hyperbolic sine of iFunc object 
  atan b = atan(s) : computes the arc tangent of iFunc object 
  atanh b = atanh(s) : computes the inverse hyperbolic tangent of iFunc object 
  band_structure : evaluates a 4D S(q,w) model along specified k-path / bands 
  ceil b = ceil(s) : upper integer round of iFunc object 
  cellstr ret = cellstr(s) : convert iFunc into a cell of strings 
  char ret = char(s) : convert iFunc into character 
  conj b = conj(s) : conjugate of iFunc object 
  conv c = conv(a,b) : computes the convolution of iFunc models 
  convn c = convn(a,b) : computes the convolution of an iFunc object with a response function  
  copyobj b = copyobj(s) : makes a copy of iFunc object 
  cos b = cos(s) : computes the cosine of iFunc object 
  cosh b = cosh(s) : computes the hyperbolic cosine of iFunc object 
  ctranspose b = ctranspose(s) : complex conjugate transpose of iFunc object 
  del2 b = del2(s) : computes the Discrete Laplacian of iFunc object 
  disp (s) : display iFunc object (details) 
  display d = display(s) : display iFunc object (from command line) 
  doc (iFunc): iFunc web page documentation 
  dos iFunc_Sqw4D: dos: compute the density of states (vDOS) 
  edit s = edit(s) : edit an iFunc model with a window dialogue 
  exp b = exp(s) : exponential value of iFunc object 
  feval [signal, model, axes, name] = feval(model, parameters, x,y, ...) evaluate a function 
  findfield [match, types, nelements]=findfield(iFunc, field, option) : look for iFunc fields 
  findstr [match, field]=findstr(s, str, option) : look for strings stored in iFunc 
  fits [pars,criteria,message,output] = fits(model, data, pars, options, constraints, ...) : fit a model on a data set 
  fix b = fix(s, parameters, ...) : sets parameter lock (fix) for further fit using the model 's' 
  fliplr b = fliplr(s) : Flip object in left/right direction 
  flipud b = flipud(s) : Flip object in up/down direction 
  floor b = floor(s) : lower integer round of iFunc object 
  fmax [Maxmimum,FVAL,EXITFLAG,OUTPUT] = fmax(FUN,PARS,[OPTIONS],[X,Y,...]) Best maximizer 
  fmin [MINIMUM,FVAL,EXITFLAG,OUTPUT] = FMIN(FUN,PARS,[OPTIONS],[X,Y,...]) Best optimizer 
  full b = full(s) : Convert iFunc object storage to full matrix 
  get [...] = get(s, 'PropertyName', ...) : get iFunc object properties 
  iData iFunc_Sqw4D: iData: evaluate a 4D Sqw into an iData object 
  iFunc _Sqw4D: convert a single iFunc_Sqw4D back to iFunc 
  imag b = imag(s) : imaginary part of iFunc object 
  imwrite f = imwrite(s, filename, format) : save iFunc object into an image 
  isempty (s) : true for empty iFunc object 
  isfield b = isfield(s, field) : check existence of field/parameter in model objects 
  load d = load(s, file): iFunc Model loader 
  log b = log(s) : natural logarithm value of iFunc object 
  log10 b = log10(s) : base 10 logarithm value of iFunc object 
  max iFunc_Sqw4D: max: get a quick estimate of the max dispersion frequency 
  minus c = minus(a,b) : computes the difference of iFunc objects 
  mlock b = mlock(s, parameters, ...) : sets parameter lock (fix) for further fit using the model 's' 
  mpower c = mpower(a,b) : computes the power of iFunc objects 
  mrdivide c = mrdivide(a,b) : computes the ratio of iFunc objects 
  mtimes c = mtimes(a,b) : computes the multiplication of iFunc objects 
  munlock b = munlock(s, parameters, ...) : free parameter lock (clear) for further fit using the model 's' 
  ndims d = ndims(s) : get the dimensionality of iFunc object 
  norm b = norm(s) : norm-2 of iFunc object 
  not b = not(s) : computes the logical 'not' of iFunc object 
  ones s = ones(s,N,M,P,...) : initialize an iFunc array 
  plot iFunc_Sqw4D: plot: plot dispersions along principal axes and vDOS 
  plot3 iFunc_Sqw4D: plot3: plot a 3D view of the dispersions in H=0 plane 
  plus c = plus(a,b) : computes the sum of iFunc objects 
  powder data = powder(model, p, q, w) : evaluate a 4D S(hkl,w) model/data set into a 2D S(|q|,w) data set for e.g. powders 
  power c = power(a,b) : computes the power of iFunc objects 
  publish iFunc_Sqw4D: publish: generate a readable HTML document and export results to 
  rdivide c = rdivide(a,b) : computes the ratio of iFunc objects 
  real b = real(s) : real value of iFunc object 
  round b = round(s) : upper integer round of iFunc object 
  save f = save(s, filename, format, options) : save iFunc object into various data formats 
  saveas f = saveas(s, filename, format, options) : save iFunc object into various data formats 
  scatter3 iFunc_Sqw4D: scatter3: plot a 3D scatter view of the dispersions in H=0 plane 
  set [s,...] = set(s, 'PropertyName', Propertyvalue, ...) : set iFunc properties 
  sign b = sign(s) : sign of iFunc object 
  sin b = sin(s) : computes the sine of iFunc object 
  sinh b = sinh(s) : computes the hyperbolic sine of iFunc object 
  slice iFunc_Sqw4D: slice: plot an editable 3D view of the dispersions in H=0 plane 
  sparse b = sparse(s) : Convert iFunc object storage to sparse 
  sqrt b = sqrt(s) : square root value of iFunc object 
  subplot h = subplot(s) : plot iFunc array as subplots 
  subsasgn b = subsasgn(a,index,b) : iFunc indexed assignement 
  subsref b = subsref(a,s) : iFunc indexed references 
  tan b = tan(s) : computes the tangent of iFunc object 
  tanh b = tanh(s) : computes the hyperbolic tangent of iFunc object 
  thermochemistry iFunc_Sqw4D/thermochemistry: compute thermodynamic quantities for 4D S(q,w) models. 
  times c = times(a,b) : computes the multiplication of iFunc objects 
  transpose b = transpose(s) : non-conjugate transpose of iFunc object 
  uminus b = uminus(s) : opposite value of iFunc object 
  uplus b = uplus(s) : makes a copy of iFunc object 
  xcorr c = xcorr(a,b) : computes the correlation of iFunc models 
  xlim b = xlim(s, parameters, [min max], ...) : sets parameter bounds (min,max) for further fit using the model 's' 
  xmlwrite f = xmlwrite(s, filename) : save iFunc object into an XML file 
  zeros s = zeros(s,N,M,P,...) : initialize an iFunc array