Syntax
nosym(obj)
Description
nosym(obj) reduces the crystal symmetry to \(P0\) but keeps all symmetry
generated atoms, that become all symmetry inequivalent. The function can
be used to test different types of symmetry breaking terms in the spin
Hamiltonian.
Examples
The example generates an FCC cell using explicit translations. After
applying the spinw.nosym function, the cryst.unit_cell.r contains the
four generated atomic positions, that are not symmetry equivalent any
more.
symOp = 'x+1/2,y+1/2,z;x+1/2,y,z+1/2;x,y+1/2,z+1/2'
cryst = spinw
cryst.genlattice('lat_const',[8 8 8],'sym',symOp,'label','FCC')
cryst.addatom('r',[0 0 0],'label','Atom1')
cryst.unit_cell.r
Output
0
0
0
cryst.nosym
cryst.unit_cell.r
Output
0 0.5000 0.5000 0
0 0.5000 0 0.5000
0 0 0.5000 0.5000
Input Arguments
obj- spinw object.
Output Arguments
The obj input will have obj.lattice.sym field equal to zero and the
[obj.unit_cell] field will contain all the generated atomic positions.