Index

Core dictionary version 3.0.14

_cell.convert_Uiso_to_Uij

Definition:

   
     The reciprocal space matrix for converting the isotropic Uiso
     atomic displacement parameter to the anisotropic matrix Uij.
 
                   | 1            cos(gamma*)   cos(beta*)  |
      U[i,j]  = Uiso * | cos(gamma*)  1             cos(alpha*) |
                   | cos(beta*)   cos(alpha*)   1           |
 

Type: Real

Values appear in Matrix context.

Dimension: [3,3]

Evaluation method:

\
    With c  as  cell
 
    _cell.convert_Uiso_to_Uij = \
                          [[ 1., Cosd(c.reciprocal_angle_gamma), Cosd(c.reciprocal_angle_beta)  ],
                           [ Cosd(c.reciprocal_angle_gamma), 1., Cosd(c.reciprocal_angle_alpha) ],
                           [ Cosd(c.reciprocal_angle_beta), Cosd(c.reciprocal_angle_alpha), 1.  ]]

Category:
cell