Index

Core dictionary version 3.3.0

_model_site.ADP_eigenvectors

Definition:

   
    The set of three ADP eigenvectors corresponding to the values
    given in _model_site.ADP_eigenvalues. The eigenvectors are
    contained in the rows of a matrix ordered from top to bottom
    in order largest to smallest corresponding eigenvalue. The
    eigenvector elements are direction cosines to the orthogonal
    axes X,Y,Z.

Type: Real

Values appear in Matrix context.

Dimension: [3,3]

Units: angstrom_squared

Evaluation method:

    A    =  _cell.orthogonal_matrix
    U    =  A * _model_site.ADP_matrix_beta * Transpose(A) /(2*Pi**2)
    _model_site.ADP_eigenvectors  =  Eigen( U )[:,1:4]

Category:
model_site