| Popis: |
Given the unit cell parameters of a crystal together with the atomic coordinates and/or the anisotropic temperature factor coefficients,a program is described which will compute various functions of those parameters such as the distance between two atoms, an angle defined by three atoms, the principal axes of the, anisotropic temperature factor, etc. The program will also compute the standard errors of the various functions with and without the contribution of the cell parameter errors. The various types of functions which can be evaluated are defined by subroutines, fifteen of which are included. (W.D.M.) |
