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Difference between revisions of "M CONSTR"

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Setting
 
Setting
  
  {{TAG|M_CONSTR}}= ... 0 0 0 ...  
+
  {{TAG|M_CONSTR}}= ... 0 0 0 ...  
  
 
for a certain ion is equivalent to imposing no constraints.
 
for a certain ion is equivalent to imposing no constraints.

Revision as of 17:33, 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 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


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