STRUCTURE-FACTOR AND LEAST-SQUARES EXPRESSIONS FOR CUBIC CRYSTAL SYSTEMS WITH ISOTROPIC VIBRATIONS,

Abstract

A set of expressions is presented for calculating structure-factors and least-squares coefficients for cubic structures with isotropic temperature factors. These expressions have been utilized in programming the Burroughs 220 and IBM 7090 computers to perform structure-factor least-squares calculations for any cubic space group; to direct the course of calculations for a particular space group, only the space group number need be designated. The expressions complement those presented by Hybl and Marsh for the orthorhombic system.

Document Details

Document Type
Technical Report
Publication Date
May 07, 1963
Accession Number
AD0612967

Entities

People

  • Ned C. Webb

Organizations

  • California Institute of Technology

Tags

DTIC Thesaurus Topics

  • Coefficients
  • Computer Programming
  • Computers
  • Crystal Structure
  • Crystals
  • Vibration

Readers

  • Computational Modeling and Simulation
  • Computer Science.
  • Materials Science and Engineering.

Technology Areas

  • Space