Crystallographic Information Framework

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Core dictionary version 3.0.14

_model_site.adp_eigen_system

Name:
_model_site.adp_eigen_system

Definition:

   
     The set of three adp eigenvales and associated eigenvectors
     in the form of 4 element List. Each list has the form
 
               (val, vecX, vecY, vecZ)
 
     where the vector elements are direction cosines to the orthogonal
     axes X,Y,Z. The lists are sorted in descending magnitude of val.
     That is, the list with the largest val is first, and the smallest
     val is last.

Type: List(Real,Real,Real,Real)

Values appear in List context.

Dimension: [3]

Evaluation method:

      A    =  _cell.orthogonal_matrix
      U    =  A * _model_site.adp_matrix_beta * Transpose(A) /(2*Pi**2)
 
      _model_site.adp_eigen_system  =  Eigen( U )
 

Category:
model_site