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International
Tables for Crystallography Volume G Definition and exchange of crystallographic data Edited by J. R. Hester and B. McMahon © International Union of Crystallography 2026 |
International Tables for Crystallography (2026). Vol. G. Early view chapter
https://doi.org/10.1107/97809553602060001011 Chapter 4.2 Core dictionary (coreCIF) |
Core dictionary version 3.3.0
_model_site.ADP_eigenvalues
Name:_model_site.ADP_eigenvalues
Definition:
The set of three ADP eigenvalues for the associated eigenvectors
given by _model_site.ADP_eigenvectors. The eigenvalues are
sorted in order of magnitude with the largest first.
Type: Real
Values appear in Array context.
Dimension: [3]
Units: none
Evaluation method:
A = _cell.orthogonal_matrix
U = A * _model_site.ADP_matrix_beta * Transpose(A) /(2*Pi**2)
_model_site.ADP_eigenvalues = Eigen( U )[:,0]
Category:
model_site
