Home > Applications > SpinW > m_files > @sw > nosym.m

iFit/nosym

PURPOSE ^

removes the space group symmetry

SYNOPSIS ^

function nosym(obj, varargin)

DESCRIPTION ^

 removes the space group symmetry

 NOSYM(obj)

 The function reduces the crystal symmetry to  0 and but keeps all atomic
 positions, that are now all symmetry inequivalent.

 Input:

 obj       sw class object.

 Output:

 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.

 Example:

 sw_addsym('x+1/2,y+1/2,z;x+1/2,y,z+1/2;x,y+1/2,z+1/2','FCC');
 cryst = sw;
 cryst.genlattice('lat_const',[8 8 8],'sym','FCC')
 cryst.addatom('r',[0 0 0],'label','Atom1')
 cryst.nosym

 The example creates four equivalent atomic positions, after the nosym()
 command, the cryst.unit_cell.r contains the four generated positions,
 that are not symmetry equivalent any more.

 See also SW, SW.NEWCELL.

CROSS-REFERENCE INFORMATION ^

This function calls: This function is called by:
Generated on Mon 26-Nov-2018 15:08:42 by m2html © 2005. iFit (c) E.Farhi/ILL EUPL 1.1