M CONSTR
M_CONSTR = [real array]
Default: M_CONSTR = 3*NIONS*0.0
Description: M_CONSTR specifies the desired local magnetic moment (size and/or direction) for the constrained local moments approach.
The M_CONSTR tag sets the desired size and/or direction of the integrated local magnetic moments in cartesian coordinates.
For each ion 3 coordinates must be specified, i.e., for a system of N ions
M_CONSTR= M_1x M_1y M_1z M_2x M_2y M_2z .... M_Nx M_Ny M_Nz
For I_CONSTRAINED_M=1 the norm of this vector is meaningless since only the direction will be constrained. For I_CONSTRAINED_M=2 both the norm as well as the direction of the moments specified by means of M_CONSTR are subject to constraints.
Setting
M_CONSTR= ... 0 0 0 ...
for a certain ion is equivalent to imposing no constraints.
For an explanation of the constrained local moments approach see the description of the I_CONSTRAINED_M tag.
Related Tags and Sections
I_CONSTRAINED_M, LAMBDA, RWIGS, LNONCOLLINEAR