Accession Number:

AD0683739

Title:

A SET OF COMPUTING PROGRAMS SUPPORTING THE SELECTED ELECTRON SHELL METHOD,

Descriptive Note:

Corporate Author:

SOUTHERN ILLINOIS UNIV CARBONDALE MATERIALS SCIENCE LAB

Report Date:

1968-11-01

Pagination or Media Count:

149.0

Abstract:

The SES Selected Electron Shell method could not be used as a practical method without proper implementation by computing programs. A considerable effort was devoted, therefore, to this end. The special report was produced that describes in detail the following programs and their results LNPLT - Semilogarithmic plot of x-ray scattering or structure factors RVPUN - HKL structure factor data cards with reciprocal vector GSFPLT - Gaussian scattering factor plot TFCNV - Temperature factor and Gaussian conversion CONVU - Electron density functions by convolution DIFTAP - Difference tape PFPLT - Peak function plot and ADDATA - Structure factor data tape that are used in the elaborate sequence of operations needed for the SES method. Author

Subject Categories:

  • Computer Programming and Software
  • Crystallography

Distribution Statement:

APPROVED FOR PUBLIC RELEASE