adds new atom to an sw object
ADDATOM(obj,'Option1', Value1, ...)
Input:
obj sw object
Options:
r Atomic positions, dimensions are [3 nAtom]. No default value!
S Spin of the atoms, dimensions are [1 nAtom], for non-magnetic
atoms set S to zero. Default spin is generated from the given
label of the atom. For example if 'label' is 'MCr3+' or 'Cr3+'
then the high spin of S=3/2 is automatically generated. The
high spin values for every ion is stored in the last column of
the ion.dat file. If the atom type is unknown S=0 is assumed.
label Names of the atoms for plotting and form factor
calculations (see ion.dat), it is a cell, optional.
Example:
{'atom1' 'atom2' 'atom3'}
Default value is 'atomI', where I is the atom index.
color Colors of the atoms for plotting, dimensions are [3 nAtom],
where each column describes an RGB color. Each value is between
0 and 255, optional. Default value is [255;165;0] for each
atom.
Alternatively a name of the color can be given as a string, for
example 'White', for multiple atoms package it into a cell. For
the list of colors, see sw_colorname().
Output:
The function creates extra elements in the 'unit_cell' field of the obj
sw object.
Example:
crystal.ADDATOM('r',[0 1/2; 0 0; 0 0],'S',[1 0],'color',{'red' 'blue'})
Adds a magnetic atom (S=1) at position (0,0,0) and a non-magnetic one at
(1/2 0 0) with red and blue color respectively.
See also SW.GENLATTICE, SW.ADDMATRIX, SW_COLORNAME.