generates crystal lattice from given parameters
GENLATTICE(obj, 'option1', value1, 'option2', value2...)
Input:
obj sw class object.
Options:
angled Alpha, beta, gamma angles in degree, dimensions are [1 3].
angle Alpha, beta, gamma angles in radian, dimensions are [1 3].
lat_const a, b, c lattice parameters, dimensions are [1 3].
sym Space group index, or space group name (string).
Alternatively the lattice parameters can be given directly when the sw
object is created using: sw(inpStr), where struct contains the fields
with initial parameters, e.g.:
inpStr.lattice.lat_const = [3 3 4];
The sym option points to the appropriate line in the symmetry.dat file,
where every line defines a space group by its generators. The first 230
lines contains all crystallographic space groups with standard setting
as it is in the International Tables of Crystallography. Additional lines
can be added to the symmetry.dat file using the sw_addsym() function.
Every line in the symmetry.dat file can be referenced by either its line
index or by its label (string).
If the sym option is 0, no symmetry will be used. The sw.gencoupling()
function will determine the equivalent bonds based on bond length.
Output:
The obj.lattice field will be changed based on the input, the lattice
constants stored directly and the optional space group string is
converted to the integer type index.
Example:
...
crystal.genlattice('lat_const',[3 3 4],'angled',[90 90 120],'sym','P 6')
crystal.genlattice('lat_const',[3 3 4],'angled',[90 90 120],'sym',168)
The two lines are equivalent, both will create hexagonal lattice, with
'P 6' space group.
See also SW, SW_ADDSYM, SW_GENSYM, SW.GENCOUPLING.