M CONSTR: Difference between revisions
No edit summary |
No edit summary |
||
| Line 3: | Line 3: | ||
Description: {{TAG|M_CONSTR}} specifies the desired local magnetic moment (size and/or direction) for the constrained local moments approach. | Description: {{TAG|M_CONSTR}} specifies the desired local magnetic moment (size and/or direction) for the constrained local moments approach. | ||
---- | ---- | ||
The {{TAG|M_CONSTR}} tag specified the desired size and/or direction of the integrated local moments in cartesian coordinates (3 coordinates must be specified for each ion). | |||
For {{TAG|I_CONSTRAINED_M}}=1 the norm of this vector is meaningless since only the direction will be constrained. For {{TAG|I_CONSTRAINED_M}}=2 both the norm as well as the direction of the moments specified by means of {{TAG|M_CONSTR}} are subject to constraints. | |||
Setting M_CONSTR= 0 0 0 for an ion is equivalent to imposing no constraints. | |||
For an explanation of the constrained local moments approach see the description of the {{TAG|I_CONSTRAINED_M}} tag. | |||
== Related Tags and Sections == | == Related Tags and Sections == | ||
{{TAG|I_CONSTRAINED_M}}, | {{TAG|I_CONSTRAINED_M}}, | ||
Revision as of 17:29, 16 February 2011
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 specified the desired size and/or direction of the integrated local moments in cartesian coordinates (3 coordinates must be specified for each ion).
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 an 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